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Sample records for subgrid scale kinetic

  1. Subgrid-scale models for large-eddy simulation of rotating turbulent channel flows

    Science.gov (United States)

    Silvis, Maurits H.; Bae, Hyunji Jane; Trias, F. Xavier; Abkar, Mahdi; Moin, Parviz; Verstappen, Roel

    2017-11-01

    We aim to design subgrid-scale models for large-eddy simulation of rotating turbulent flows. Rotating turbulent flows form a challenging test case for large-eddy simulation due to the presence of the Coriolis force. The Coriolis force conserves the total kinetic energy while transporting it from small to large scales of motion, leading to the formation of large-scale anisotropic flow structures. The Coriolis force may also cause partial flow laminarization and the occurrence of turbulent bursts. Many subgrid-scale models for large-eddy simulation are, however, primarily designed to parametrize the dissipative nature of turbulent flows, ignoring the specific characteristics of transport processes. We, therefore, propose a new subgrid-scale model that, in addition to the usual dissipative eddy viscosity term, contains a nondissipative nonlinear model term designed to capture transport processes, such as those due to rotation. We show that the addition of this nonlinear model term leads to improved predictions of the energy spectra of rotating homogeneous isotropic turbulence as well as of the Reynolds stress anisotropy in spanwise-rotating plane-channel flows. This work is financed by the Netherlands Organisation for Scientific Research (NWO) under Project Number 613.001.212.

  2. Large-eddy simulation with accurate implicit subgrid-scale diffusion

    NARCIS (Netherlands)

    B. Koren (Barry); C. Beets

    1996-01-01

    textabstractA method for large-eddy simulation is presented that does not use an explicit subgrid-scale diffusion term. Subgrid-scale effects are modelled implicitly through an appropriate monotone (in the sense of Spekreijse 1987) discretization method for the advective terms. Special attention is

  3. Dynamic subgrid scale model of large eddy simulation of cross bundle flows

    International Nuclear Information System (INIS)

    Hassan, Y.A.; Barsamian, H.R.

    1996-01-01

    The dynamic subgrid scale closure model of Germano et. al (1991) is used in the large eddy simulation code GUST for incompressible isothermal flows. Tube bundle geometries of staggered and non-staggered arrays are considered in deep bundle simulations. The advantage of the dynamic subgrid scale model is the exclusion of an input model coefficient. The model coefficient is evaluated dynamically for each nodal location in the flow domain. Dynamic subgrid scale results are obtained in the form of power spectral densities and flow visualization of turbulent characteristics. Comparisons are performed among the dynamic subgrid scale model, the Smagorinsky eddy viscosity model (that is used as the base model for the dynamic subgrid scale model) and available experimental data. Spectral results of the dynamic subgrid scale model correlate better with experimental data. Satisfactory turbulence characteristics are observed through flow visualization

  4. Development and analysis of prognostic equations for mesoscale kinetic energy and mesoscale (subgrid scale) fluxes for large-scale atmospheric models

    Science.gov (United States)

    Avissar, Roni; Chen, Fei

    1993-01-01

    Generated by landscape discontinuities (e.g., sea breezes) mesoscale circulation processes are not represented in large-scale atmospheric models (e.g., general circulation models), which have an inappropiate grid-scale resolution. With the assumption that atmospheric variables can be separated into large scale, mesoscale, and turbulent scale, a set of prognostic equations applicable in large-scale atmospheric models for momentum, temperature, moisture, and any other gaseous or aerosol material, which includes both mesoscale and turbulent fluxes is developed. Prognostic equations are also developed for these mesoscale fluxes, which indicate a closure problem and, therefore, require a parameterization. For this purpose, the mean mesoscale kinetic energy (MKE) per unit of mass is used, defined as E-tilde = 0.5 (the mean value of u'(sub i exp 2), where u'(sub i) represents the three Cartesian components of a mesoscale circulation (the angle bracket symbol is the grid-scale, horizontal averaging operator in the large-scale model, and a tilde indicates a corresponding large-scale mean value). A prognostic equation is developed for E-tilde, and an analysis of the different terms of this equation indicates that the mesoscale vertical heat flux, the mesoscale pressure correlation, and the interaction between turbulence and mesoscale perturbations are the major terms that affect the time tendency of E-tilde. A-state-of-the-art mesoscale atmospheric model is used to investigate the relationship between MKE, landscape discontinuities (as characterized by the spatial distribution of heat fluxes at the earth's surface), and mesoscale sensible and latent heat fluxes in the atmosphere. MKE is compared with turbulence kinetic energy to illustrate the importance of mesoscale processes as compared to turbulent processes. This analysis emphasizes the potential use of MKE to bridge between landscape discontinuities and mesoscale fluxes and, therefore, to parameterize mesoscale fluxes

  5. An Extended Eddy-Diffusivity Mass-Flux Scheme for Unified Representation of Subgrid-Scale Turbulence and Convection

    Science.gov (United States)

    Tan, Zhihong; Kaul, Colleen M.; Pressel, Kyle G.; Cohen, Yair; Schneider, Tapio; Teixeira, João.

    2018-03-01

    Large-scale weather forecasting and climate models are beginning to reach horizontal resolutions of kilometers, at which common assumptions made in existing parameterization schemes of subgrid-scale turbulence and convection—such as that they adjust instantaneously to changes in resolved-scale dynamics—cease to be justifiable. Additionally, the common practice of representing boundary-layer turbulence, shallow convection, and deep convection by discontinuously different parameterizations schemes, each with its own set of parameters, has contributed to the proliferation of adjustable parameters in large-scale models. Here we lay the theoretical foundations for an extended eddy-diffusivity mass-flux (EDMF) scheme that has explicit time-dependence and memory of subgrid-scale variables and is designed to represent all subgrid-scale turbulence and convection, from boundary layer dynamics to deep convection, in a unified manner. Coherent up and downdrafts in the scheme are represented as prognostic plumes that interact with their environment and potentially with each other through entrainment and detrainment. The more isotropic turbulence in their environment is represented through diffusive fluxes, with diffusivities obtained from a turbulence kinetic energy budget that consistently partitions turbulence kinetic energy between plumes and environment. The cross-sectional area of up and downdrafts satisfies a prognostic continuity equation, which allows the plumes to cover variable and arbitrarily large fractions of a large-scale grid box and to have life cycles governed by their own internal dynamics. Relatively simple preliminary proposals for closure parameters are presented and are shown to lead to a successful simulation of shallow convection, including a time-dependent life cycle.

  6. Mass-flux subgrid-scale parameterization in analogy with multi-component flows: a formulation towards scale independence

    Directory of Open Access Journals (Sweden)

    J.-I. Yano

    2012-11-01

    Full Text Available A generalized mass-flux formulation is presented, which no longer takes a limit of vanishing fractional areas for subgrid-scale components. The presented formulation is applicable to a~situation in which the scale separation is still satisfied, but fractional areas occupied by individual subgrid-scale components are no longer small. A self-consistent formulation is presented by generalizing the mass-flux formulation under the segmentally-constant approximation (SCA to the grid–scale variabilities. The present formulation is expected to alleviate problems arising from increasing resolutions of operational forecast models without invoking more extensive overhaul of parameterizations.

    The present formulation leads to an analogy of the large-scale atmospheric flow with multi-component flows. This analogy allows a generality of including any subgrid-scale variability into the mass-flux parameterization under SCA. Those include stratiform clouds as well as cold pools in the boundary layer.

    An important finding under the present formulation is that the subgrid-scale quantities are advected by the large-scale velocities characteristic of given subgrid-scale components (large-scale subcomponent flows, rather than by the total large-scale flows as simply defined by grid-box average. In this manner, each subgrid-scale component behaves as if like a component of multi-component flows. This formulation, as a result, ensures the lateral interaction of subgrid-scale variability crossing the grid boxes, which are missing in the current parameterizations based on vertical one-dimensional models, and leading to a reduction of the grid-size dependencies in its performance. It is shown that the large-scale subcomponent flows are driven by large-scale subcomponent pressure gradients. The formulation, as a result, furthermore includes a self-contained description of subgrid-scale momentum transport.

    The main purpose of the present paper

  7. Statistical dynamical subgrid-scale parameterizations for geophysical flows

    International Nuclear Information System (INIS)

    O'Kane, T J; Frederiksen, J S

    2008-01-01

    Simulations of both atmospheric and oceanic circulations at given finite resolutions are strongly dependent on the form and strengths of the dynamical subgrid-scale parameterizations (SSPs) and in particular are sensitive to subgrid-scale transient eddies interacting with the retained scale topography and the mean flow. In this paper, we present numerical results for SSPs of the eddy-topographic force, stochastic backscatter, eddy viscosity and eddy-mean field interaction using an inhomogeneous statistical turbulence model based on a quasi-diagonal direct interaction approximation (QDIA). Although the theoretical description on which our model is based is for general barotropic flows, we specifically focus on global atmospheric flows where large-scale Rossby waves are present. We compare and contrast the closure-based results with an important earlier heuristic SSP of the eddy-topographic force, based on maximum entropy or statistical canonical equilibrium arguments, developed specifically for general ocean circulation models (Holloway 1992 J. Phys. Oceanogr. 22 1033-46). Our results demonstrate that where strong zonal flows and Rossby waves are present, such as in the atmosphere, maximum entropy arguments are insufficient to accurately parameterize the subgrid contributions due to eddy-eddy, eddy-topographic and eddy-mean field interactions. We contrast our atmospheric results with findings for the oceans. Our study identifies subgrid-scale interactions that are currently not parameterized in numerical atmospheric climate models, which may lead to systematic defects in the simulated circulations.

  8. Subgrid-scale turbulence in shock-boundary layer flows

    Science.gov (United States)

    Jammalamadaka, Avinash; Jaberi, Farhad

    2015-04-01

    Data generated by direct numerical simulation (DNS) for a Mach 2.75 zero-pressure gradient turbulent boundary layer interacting with shocks of different intensities are used for a priori analysis of subgrid-scale (SGS) turbulence and various terms in the compressible filtered Navier-Stokes equations. The numerical method used for DNS is based on a hybrid scheme that uses a non-dissipative central scheme in the shock-free turbulent regions and a robust monotonicity-preserving scheme in the shock regions. The behavior of SGS stresses and their components, namely Leonard, Cross and Reynolds components, is examined in various regions of the flow for different shock intensities and filter widths. The backscatter in various regions of the flow is found to be significant only instantaneously, while the ensemble-averaged statistics indicate no significant backscatter. The budgets for the SGS kinetic energy equation are examined for a better understanding of shock-tubulence interactions at the subgrid level and also with the aim of providing useful information for one-equation LES models. A term-by-term analysis of SGS terms in the filtered total energy equation indicate that while each term in this equation is significant by itself, the net contribution by all of them is relatively small. This observation is consistent with our a posteriori analysis.

  9. A priori study of subgrid-scale flux of a passive scalar in isotropic homogeneous turbulence

    International Nuclear Information System (INIS)

    Chumakov, Sergei

    2008-01-01

    We perform a direct numerical simulation (DNS) of forced homogeneous isotropic turbulence with a passive scalar that is forced by mean gradient. The DNS data are used to study the properties of subgrid-scale flux of a passive scalar in the framework of large eddy simulation (LES), such as alignment trends between the flux, resolved, and subgrid-scale flow structures. It is shown that the direction of the flux is strongly coupled with the subgrid-scale stress axes rather than the resolved flow quantities such as strain, vorticity, or scalar gradient. We derive an approximate transport equation for the subgrid-scale flux of a scalar and look at the relative importance of the terms in the transport equation. A particular form of LES tensor-viscosity model for the scalar flux is investigated, which includes the subgrid-scale stress. Effect of different models for the subgrid-scale stress on the model for the subgrid-scale flux is studied.

  10. A priori study of subgrid-scale flux of a passive scalar in isotropic homogeneous turbulence.

    Science.gov (United States)

    Chumakov, Sergei G

    2008-09-01

    We perform a direct numerical simulation (DNS) of forced homogeneous isotropic turbulence with a passive scalar that is forced by mean gradient. The DNS data are used to study the properties of subgrid-scale flux of a passive scalar in the framework of large eddy simulation (LES), such as alignment trends between the flux, resolved, and subgrid-scale flow structures. It is shown that the direction of the flux is strongly coupled with the subgrid-scale stress axes rather than the resolved flow quantities such as strain, vorticity, or scalar gradient. We derive an approximate transport equation for the subgrid-scale flux of a scalar and look at the relative importance of the terms in the transport equation. A particular form of LES tensor-viscosity model for the scalar flux is investigated, which includes the subgrid-scale stress. Effect of different models for the subgrid-scale stress on the model for the subgrid-scale flux is studied.

  11. Quadratic inner element subgrid scale discretisation of the Boltzmann transport equation

    International Nuclear Information System (INIS)

    Baker, C.M.J.; Buchan, A.G.; Pain, C.C.; Tollit, B.; Eaton, M.D.; Warner, P.

    2012-01-01

    This paper explores the application of the inner element subgrid scale method to the Boltzmann transport equation using quadratic basis functions. Previously, only linear basis functions for both the coarse scale and the fine scale were considered. This paper, therefore, analyses the advantages of using different coarse and subgrid basis functions for increasing the accuracy of the subgrid scale method. The transport of neutral particle radiation may be described by the Boltzmann transport equation (BTE) which, due to its 7 dimensional phase space, is computationally expensive to resolve. Multi-scale methods offer an approach to efficiently resolve the spatial dimensions of the BTE by separating the solution into its coarse and fine scales and formulating a solution whereby only the computationally efficient coarse scales need to be solved. In previous work an inner element subgrid scale method was developed that applied a linear continuous and discontinuous finite element method to represent the solution’s coarse and fine scale components. This approach was shown to generate efficient and stable solutions, and so this article continues its development by formulating higher order quadratic finite element expansions over the continuous and discontinuous scales. Here it is shown that a solution’s convergence can be improved significantly using higher order basis functions. Furthermore, by using linear finite elements to represent coarse scales in combination with quadratic fine scales, convergence can also be improved with only a modest increase in computational expense.

  12. A dynamic global-coefficient mixed subgrid-scale model for large-eddy simulation of turbulent flows

    International Nuclear Information System (INIS)

    Singh, Satbir; You, Donghyun

    2013-01-01

    Highlights: ► A new SGS model is developed for LES of turbulent flows in complex geometries. ► A dynamic global-coefficient SGS model is coupled with a scale-similarity model. ► Overcome some of difficulties associated with eddy-viscosity closures. ► Does not require averaging or clipping of the model coefficient for stabilization. ► The predictive capability is demonstrated in a number of turbulent flow simulations. -- Abstract: A dynamic global-coefficient mixed subgrid-scale eddy-viscosity model for large-eddy simulation of turbulent flows in complex geometries is developed. In the present model, the subgrid-scale stress is decomposed into the modified Leonard stress, cross stress, and subgrid-scale Reynolds stress. The modified Leonard stress is explicitly computed assuming a scale similarity, while the cross stress and the subgrid-scale Reynolds stress are modeled using the global-coefficient eddy-viscosity model. The model coefficient is determined by a dynamic procedure based on the global-equilibrium between the subgrid-scale dissipation and the viscous dissipation. The new model relieves some of the difficulties associated with an eddy-viscosity closure, such as the nonalignment of the principal axes of the subgrid-scale stress tensor and the strain rate tensor and the anisotropy of turbulent flow fields, while, like other dynamic global-coefficient models, it does not require averaging or clipping of the model coefficient for numerical stabilization. The combination of the global-coefficient eddy-viscosity model and a scale-similarity model is demonstrated to produce improved predictions in a number of turbulent flow simulations

  13. Study of subgrid-scale velocity models for reacting and nonreacting flows

    Science.gov (United States)

    Langella, I.; Doan, N. A. K.; Swaminathan, N.; Pope, S. B.

    2018-05-01

    A study is conducted to identify advantages and limitations of existing large-eddy simulation (LES) closures for the subgrid-scale (SGS) kinetic energy using a database of direct numerical simulations (DNS). The analysis is conducted for both reacting and nonreacting flows, different turbulence conditions, and various filter sizes. A model, based on dissipation and diffusion of momentum (LD-D model), is proposed in this paper based on the observed behavior of four existing models. Our model shows the best overall agreements with DNS statistics. Two main investigations are conducted for both reacting and nonreacting flows: (i) an investigation on the robustness of the model constants, showing that commonly used constants lead to a severe underestimation of the SGS kinetic energy and enlightening their dependence on Reynolds number and filter size; and (ii) an investigation on the statistical behavior of the SGS closures, which suggests that the dissipation of momentum is the key parameter to be considered in such closures and that dilatation effect is important and must be captured correctly in reacting flows. Additional properties of SGS kinetic energy modeling are identified and discussed.

  14. Dynamic subgrid scale model used in a deep bundle turbulence prediction using the large eddy simulation method

    International Nuclear Information System (INIS)

    Barsamian, H.R.; Hassan, Y.A.

    1996-01-01

    Turbulence is one of the most commonly occurring phenomena of engineering interest in the field of fluid mechanics. Since most flows are turbulent, there is a significant payoff for improved predictive models of turbulence. One area of concern is the turbulent buffeting forces experienced by the tubes in steam generators of nuclear power plants. Although the Navier-Stokes equations are able to describe turbulent flow fields, the large number of scales of turbulence limit practical flow field calculations with current computing power. The dynamic subgrid scale closure model of Germano et. al (1991) is used in the large eddy simulation code GUST for incompressible isothermal flows. Tube bundle geometries of staggered and non-staggered arrays are considered in deep bundle simulations. The advantage of the dynamic subgrid scale model is the exclusion of an input model coefficient. The model coefficient is evaluated dynamically for each nodal location in the flow domain. Dynamic subgrid scale results are obtained in the form of power spectral densities and flow visualization of turbulent characteristics. Comparisons are performed among the dynamic subgrid scale model, the Smagorinsky eddy viscosity model (Smagorinsky, 1963) (that is used as the base model for the dynamic subgrid scale model) and available experimental data. Spectral results of the dynamic subgrid scale model correlate better with experimental data. Satisfactory turbulence characteristics are observed through flow visualization

  15. Can a numerically stable subgrid-scale model for turbulent flow computation be ideally accurate?: a preliminary theoretical study for the Gaussian filtered Navier-Stokes equations.

    Science.gov (United States)

    Ida, Masato; Taniguchi, Nobuyuki

    2003-09-01

    This paper introduces a candidate for the origin of the numerical instabilities in large eddy simulation repeatedly observed in academic and practical industrial flow computations. Without resorting to any subgrid-scale modeling, but based on a simple assumption regarding the streamwise component of flow velocity, it is shown theoretically that in a channel-flow computation, the application of the Gaussian filtering to the incompressible Navier-Stokes equations yields a numerically unstable term, a cross-derivative term, which is similar to one appearing in the Gaussian filtered Vlasov equation derived by Klimas [J. Comput. Phys. 68, 202 (1987)] and also to one derived recently by Kobayashi and Shimomura [Phys. Fluids 15, L29 (2003)] from the tensor-diffusivity subgrid-scale term in a dynamic mixed model. The present result predicts that not only the numerical methods and the subgrid-scale models employed but also only the applied filtering process can be a seed of this numerical instability. An investigation concerning the relationship between the turbulent energy scattering and the unstable term shows that the instability of the term does not necessarily represent the backscatter of kinetic energy which has been considered a possible origin of numerical instabilities in large eddy simulation. The present findings raise the question whether a numerically stable subgrid-scale model can be ideally accurate.

  16. Parameterizing Subgrid-Scale Orographic Drag in the High-Resolution Rapid Refresh (HRRR) Atmospheric Model

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    Toy, M. D.; Olson, J.; Kenyon, J.; Smirnova, T. G.; Brown, J. M.

    2017-12-01

    The accuracy of wind forecasts in numerical weather prediction (NWP) models is improved when the drag forces imparted on atmospheric flow by subgrid-scale orography are included. Without such parameterizations, only the terrain resolved by the model grid, along with the small-scale obstacles parameterized by the roughness lengths can have an effect on the flow. This neglects the impacts of subgrid-scale terrain variations, which typically leads to wind speeds that are too strong. Using statistical information about the subgrid-scale orography, such as the mean and variance of the topographic height within a grid cell, the drag forces due to flow blocking, gravity wave drag, and turbulent form drag are estimated and distributed vertically throughout the grid cell column. We recently implemented the small-scale gravity wave drag paramterization of Steeneveld et al. (2008) and Tsiringakis et al. (2017) for stable planetary boundary layers, and the turbulent form drag parameterization of Beljaars et al. (2004) in the High-Resolution Rapid Refresh (HRRR) NWP model developed at the National Oceanic and Atmospheric Administration (NOAA). As a result, a high surface wind speed bias in the model has been reduced and small improvement to the maintenance of stable layers has also been found. We present the results of experiments with the subgrid-scale orographic drag parameterization for the regional HRRR model, as well as for a global model in development at NOAA, showing the direct and indirect impacts.

  17. Effects of Resolution on the Simulation of Boundary-layer Clouds and the Partition of Kinetic Energy to Subgrid Scales

    Directory of Open Access Journals (Sweden)

    Anning Cheng

    2010-02-01

    Full Text Available Seven boundary-layer cloud cases are simulated with UCLA-LES (The University of California, Los Angeles – large eddy simulation model with different horizontal and vertical gridspacing to investigate how the results depend on gridspacing. Some variables are more sensitive to horizontal gridspacing, while others are more sensitive to vertical gridspacing, and still others are sensitive to both horizontal and vertical gridspacings with similar or opposite trends. For cloud-related variables having the opposite dependence on horizontal and vertical gridspacings, changing the gridspacing proportionally in both directions gives the appearance of convergence. In this study, we mainly discuss the impact of subgrid-scale (SGS kinetic energy (KE on the simulations with coarsening of horizontal and vertical gridspacings. A running-mean operator is used to separate the KE of the high-resolution benchmark simulations into that of resolved scales of coarse-resolution simulations and that of SGSs. The diagnosed SGS KE is compared with that parameterized by the Smagorinsky-Lilly SGS scheme at various gridspacings. It is found that the parameterized SGS KE for the coarse-resolution simulations is usually underestimated but the resolved KE is unrealistically large, compared to benchmark simulations. However, the sum of resolved and SGS KEs is about the same for simulations with various gridspacings. The partitioning of SGS and resolved heat and moisture transports is consistent with that of SGS and resolved KE, which means that the parameterized transports are underestimated but resolved-scale transports are overestimated. On the whole, energy shifts to large-scales as the horizontal gridspacing becomes coarse, hence the size of clouds and the resolved circulation increase, the clouds become more stratiform-like with an increase in cloud fraction, cloud liquid-water path and surface precipitation; when coarse vertical gridspacing is used, cloud sizes do not

  18. Analysis and modeling of subgrid scalar mixing using numerical data

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    Girimaji, Sharath S.; Zhou, YE

    1995-01-01

    Direct numerical simulations (DNS) of passive scalar mixing in isotropic turbulence is used to study, analyze and, subsequently, model the role of small (subgrid) scales in the mixing process. In particular, we attempt to model the dissipation of the large scale (supergrid) scalar fluctuations caused by the subgrid scales by decomposing it into two parts: (1) the effect due to the interaction among the subgrid scales; and (2) the effect due to interaction between the supergrid and the subgrid scales. Model comparisons with DNS data show good agreement. This model is expected to be useful in the large eddy simulations of scalar mixing and reaction.

  19. Sensitivity of regional meteorology and atmospheric composition during the DISCOVER-AQ period to subgrid-scale cloud-radiation interactions

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    Huang, X.; Allen, D. J.; Herwehe, J. A.; Alapaty, K. V.; Loughner, C.; Pickering, K. E.

    2014-12-01

    Subgrid-scale cloudiness directly influences global and regional atmospheric radiation budgets by attenuating shortwave radiation, leading to suppressed convection, decreased surface precipitation as well as other meteorological parameter changes. We use the latest version of WRF (v3.6, Apr 2014), which incorporates the Kain-Fritsch (KF) convective parameterization to provide subgrid-scale cloud fraction and condensate feedback to the rapid radiative transfer model-global (RRTMG) shortwave and longwave radiation schemes. We apply the KF scheme to simulate the DISCOVER-AQ Maryland field campaign (July 2011), and compare the sensitivity of meteorological parameters to the control run that does not include subgrid cloudiness. Furthermore, we will examine the chemical impact from subgrid cloudiness using a regional chemical transport model (CMAQ). There are several meteorological parameters influenced by subgrid cumulus clouds that are very important to air quality modeling, including changes in surface temperature that impact biogenic emission rates; changes in PBL depth that affect pollutant concentrations; and changes in surface humidity levels that impact peroxide-related reactions. Additionally, subgrid cumulus clouds directly impact air pollutant concentrations by modulating photochemistry and vertical mixing. Finally, we will compare with DISCOVER-AQ flight observation data and evaluate how well this off-line CMAQ simulation driven by WRF with the KF scheme simulates the effects of regional convection on atmospheric composition.

  20. Multi-scale properties of large eddy simulations: correlations between resolved-scale velocity-field increments and subgrid-scale quantities

    Science.gov (United States)

    Linkmann, Moritz; Buzzicotti, Michele; Biferale, Luca

    2018-06-01

    We provide analytical and numerical results concerning multi-scale correlations between the resolved velocity field and the subgrid-scale (SGS) stress-tensor in large eddy simulations (LES). Following previous studies for Navier-Stokes equations, we derive the exact hierarchy of LES equations governing the spatio-temporal evolution of velocity structure functions of any order. The aim is to assess the influence of the subgrid model on the inertial range intermittency. We provide a series of predictions, within the multifractal theory, for the scaling of correlation involving the SGS stress and we compare them against numerical results from high-resolution Smagorinsky LES and from a-priori filtered data generated from direct numerical simulations (DNS). We find that LES data generally agree very well with filtered DNS results and with the multifractal prediction for all leading terms in the balance equations. Discrepancies are measured for some of the sub-leading terms involving cross-correlation between resolved velocity increments and the SGS tensor or the SGS energy transfer, suggesting that there must be room to improve the SGS modelisation to further extend the inertial range properties for any fixed LES resolution.

  1. Large eddy simulation of new subgrid scale model for three-dimensional bundle flows

    International Nuclear Information System (INIS)

    Barsamian, H.R.; Hassan, Y.A.

    2004-01-01

    Having led to increased inefficiencies and power plant shutdowns fluid flow induced vibrations within heat exchangers are of great concern due to tube fretting-wear or fatigue failures. Historically, scaling law and measurement accuracy problems were encountered for experimental analysis at considerable effort and expense. However, supercomputers and accurate numerical methods have provided reliable results and substantial decrease in cost. In this investigation Large Eddy Simulation has been successfully used to simulate turbulent flow by the numeric solution of the incompressible, isothermal, single phase Navier-Stokes equations. The eddy viscosity model and a new subgrid scale model have been utilized to model the smaller eddies in the flow domain. A triangular array flow field was considered and numerical simulations were performed in two- and three-dimensional fields, and were compared to experimental findings. Results show good agreement of the numerical findings to that of the experimental, and solutions obtained with the new subgrid scale model represent better energy dissipation for the smaller eddies. (author)

  2. A simple dynamic subgrid-scale model for LES of particle-laden turbulence

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    Park, George Ilhwan; Bassenne, Maxime; Urzay, Javier; Moin, Parviz

    2017-04-01

    In this study, a dynamic model for large-eddy simulations is proposed in order to describe the motion of small inertial particles in turbulent flows. The model is simple, involves no significant computational overhead, contains no adjustable parameters, and is flexible enough to be deployed in any type of flow solvers and grids, including unstructured setups. The approach is based on the use of elliptic differential filters to model the subgrid-scale velocity. The only model parameter, which is related to the nominal filter width, is determined dynamically by imposing consistency constraints on the estimated subgrid energetics. The performance of the model is tested in large-eddy simulations of homogeneous-isotropic turbulence laden with particles, where improved agreement with direct numerical simulation results is observed in the dispersed-phase statistics, including particle acceleration, local carrier-phase velocity, and preferential-concentration metrics.

  3. A priori study of subgrid-scale features in turbulent Rayleigh-Bénard convection

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    Dabbagh, F.; Trias, F. X.; Gorobets, A.; Oliva, A.

    2017-10-01

    At the crossroad between flow topology analysis and turbulence modeling, a priori studies are a reliable tool to understand the underlying physics of the subgrid-scale (SGS) motions in turbulent flows. In this paper, properties of the SGS features in the framework of a large-eddy simulation are studied for a turbulent Rayleigh-Bénard convection (RBC). To do so, data from direct numerical simulation (DNS) of a turbulent air-filled RBC in a rectangular cavity of aspect ratio unity and π spanwise open-ended distance are used at two Rayleigh numbers R a ∈{1 08,1 010 } [Dabbagh et al., "On the evolution of flow topology in turbulent Rayleigh-Bénard convection," Phys. Fluids 28, 115105 (2016)]. First, DNS at Ra = 108 is used to assess the performance of eddy-viscosity models such as QR, Wall-Adapting Local Eddy-viscosity (WALE), and the recent S3PQR-models proposed by Trias et al. ["Building proper invariants for eddy-viscosity subgrid-scale models," Phys. Fluids 27, 065103 (2015)]. The outcomes imply that the eddy-viscosity modeling smoothes the coarse-grained viscous straining and retrieves fairly well the effect of the kinetic unfiltered scales in order to reproduce the coherent large scales. However, these models fail to approach the exact evolution of the SGS heat flux and are incapable to reproduce well the further dominant rotational enstrophy pertaining to the buoyant production. Afterwards, the key ingredients of eddy-viscosity, νt, and eddy-diffusivity, κt, are calculated a priori and revealed positive prevalent values to maintain a turbulent wind essentially driven by the mean buoyant force at the sidewalls. The topological analysis suggests that the effective turbulent diffusion paradigm and the hypothesis of a constant turbulent Prandtl number are only applicable in the large-scale strain-dominated areas in the bulk. It is shown that the bulk-dominated rotational structures of vortex-stretching (and its synchronous viscous dissipative structures) hold

  4. A Lagrangian dynamic subgrid-scale model turbulence

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    Meneveau, C.; Lund, T. S.; Cabot, W.

    1994-01-01

    A new formulation of the dynamic subgrid-scale model is tested in which the error associated with the Germano identity is minimized over flow pathlines rather than over directions of statistical homogeneity. This procedure allows the application of the dynamic model with averaging to flows in complex geometries that do not possess homogeneous directions. The characteristic Lagrangian time scale over which the averaging is performed is chosen such that the model is purely dissipative, guaranteeing numerical stability when coupled with the Smagorinsky model. The formulation is tested successfully in forced and decaying isotropic turbulence and in fully developed and transitional channel flow. In homogeneous flows, the results are similar to those of the volume-averaged dynamic model, while in channel flow, the predictions are superior to those of the plane-averaged dynamic model. The relationship between the averaged terms in the model and vortical structures (worms) that appear in the LES is investigated. Computational overhead is kept small (about 10 percent above the CPU requirements of the volume or plane-averaged dynamic model) by using an approximate scheme to advance the Lagrangian tracking through first-order Euler time integration and linear interpolation in space.

  5. On the Representation of Subgrid Microtopography Effects in Process-based Hydrologic Models

    Science.gov (United States)

    Jan, A.; Painter, S. L.; Coon, E. T.

    2017-12-01

    Increased availability of high-resolution digital elevation are enabling process-based hydrologic modeling on finer and finer scales. However, spatial variability in surface elevation (microtopography) exists below the scale of a typical hyper-resolution grid cell and has the potential to play a significant role in water retention, runoff, and surface/subsurface interactions. Though the concept of microtopographic features (depressions, obstructions) and the associated implications on flow and discharge are well established, representing those effects in watershed-scale integrated surface/subsurface hydrology models remains a challenge. Using the complex and coupled hydrologic environment of the Arctic polygonal tundra as an example, we study the effects of submeter topography and present a subgrid model parameterized by small-scale spatial heterogeneities for use in hyper-resolution models with polygons at a scale of 15-20 meters forming the surface cells. The subgrid model alters the flow and storage terms in the diffusion wave equation for surface flow. We compare our results against sub-meter scale simulations (acts as a benchmark for our simulations) and hyper-resolution models without the subgrid representation. The initiation of runoff in the fine-scale simulations is delayed and the recession curve is slowed relative to simulated runoff using the hyper-resolution model with no subgrid representation. Our subgrid modeling approach improves the representation of runoff and water retention relative to models that ignore subgrid topography. We evaluate different strategies for parameterizing subgrid model and present a classification-based method to efficiently move forward to larger landscapes. This work was supported by the Interoperable Design of Extreme-scale Application Software (IDEAS) project and the Next-Generation Ecosystem Experiments-Arctic (NGEE Arctic) project. NGEE-Arctic is supported by the Office of Biological and Environmental Research in the

  6. Subgrid-scale stresses and scalar fluxes constructed by the multi-scale turnover Lagrangian map

    Science.gov (United States)

    AL-Bairmani, Sukaina; Li, Yi; Rosales, Carlos; Xie, Zheng-tong

    2017-04-01

    The multi-scale turnover Lagrangian map (MTLM) [C. Rosales and C. Meneveau, "Anomalous scaling and intermittency in three-dimensional synthetic turbulence," Phys. Rev. E 78, 016313 (2008)] uses nested multi-scale Lagrangian advection of fluid particles to distort a Gaussian velocity field and, as a result, generate non-Gaussian synthetic velocity fields. Passive scalar fields can be generated with the procedure when the fluid particles carry a scalar property [C. Rosales, "Synthetic three-dimensional turbulent passive scalar fields via the minimal Lagrangian map," Phys. Fluids 23, 075106 (2011)]. The synthetic fields have been shown to possess highly realistic statistics characterizing small scale intermittency, geometrical structures, and vortex dynamics. In this paper, we present a study of the synthetic fields using the filtering approach. This approach, which has not been pursued so far, provides insights on the potential applications of the synthetic fields in large eddy simulations and subgrid-scale (SGS) modelling. The MTLM method is first generalized to model scalar fields produced by an imposed linear mean profile. We then calculate the subgrid-scale stress, SGS scalar flux, SGS scalar variance, as well as related quantities from the synthetic fields. Comparison with direct numerical simulations (DNSs) shows that the synthetic fields reproduce the probability distributions of the SGS energy and scalar dissipation rather well. Related geometrical statistics also display close agreement with DNS results. The synthetic fields slightly under-estimate the mean SGS energy dissipation and slightly over-predict the mean SGS scalar variance dissipation. In general, the synthetic fields tend to slightly under-estimate the probability of large fluctuations for most quantities we have examined. Small scale anisotropy in the scalar field originated from the imposed mean gradient is captured. The sensitivity of the synthetic fields on the input spectra is assessed by

  7. A SUB-GRID VOLUME-OF-FLUIDS (VOF) MODEL FOR MIXING IN RESOLVED SCALE AND IN UNRESOLVED SCALE COMPUTATIONS

    International Nuclear Information System (INIS)

    Vold, Erik L.; Scannapieco, Tony J.

    2007-01-01

    A sub-grid mix model based on a volume-of-fluids (VOF) representation is described for computational simulations of the transient mixing between reactive fluids, in which the atomically mixed components enter into the reactivity. The multi-fluid model allows each fluid species to have independent values for density, energy, pressure and temperature, as well as independent velocities and volume fractions. Fluid volume fractions are further divided into mix components to represent their 'mixedness' for more accurate prediction of reactivity. Time dependent conversion from unmixed volume fractions (denoted cf) to atomically mixed (af) fluids by diffusive processes is represented in resolved scale simulations with the volume fractions (cf, af mix). In unresolved scale simulations, the transition to atomically mixed materials begins with a conversion from unmixed material to a sub-grid volume fraction (pf). This fraction represents the unresolved small scales in the fluids, heterogeneously mixed by turbulent or multi-phase mixing processes, and this fraction then proceeds in a second step to the atomically mixed fraction by diffusion (cf, pf, af mix). Species velocities are evaluated with a species drift flux, ρ i u di = ρ i (u i -u), used to describe the fluid mixing sources in several closure options. A simple example of mixing fluids during 'interfacial deceleration mixing with a small amount of diffusion illustrates the generation of atomically mixed fluids in two cases, for resolved scale simulations and for unresolved scale simulations. Application to reactive mixing, including Inertial Confinement Fusion (ICF), is planned for future work.

  8. A nonlinear structural subgrid-scale closure for compressible MHD. I. Derivation and energy dissipation properties

    Energy Technology Data Exchange (ETDEWEB)

    Vlaykov, Dimitar G., E-mail: Dimitar.Vlaykov@ds.mpg.de [Institut für Astrophysik, Universität Göttingen, Friedrich-Hund-Platz 1, D-37077 Göttingen (Germany); Max-Planck-Institut für Dynamik und Selbstorganisation, Am Faßberg 17, D-37077 Göttingen (Germany); Grete, Philipp [Institut für Astrophysik, Universität Göttingen, Friedrich-Hund-Platz 1, D-37077 Göttingen (Germany); Max-Planck-Institut für Sonnensystemforschung, Justus-von-Liebig-Weg 3, D-37077 Göttingen (Germany); Schmidt, Wolfram [Hamburger Sternwarte, Universität Hamburg, Gojenbergsweg 112, D-21029 Hamburg (Germany); Schleicher, Dominik R. G. [Departamento de Astronomía, Facultad Ciencias Físicas y Matemáticas, Universidad de Concepción, Av. Esteban Iturra s/n Barrio Universitario, Casilla 160-C (Chile)

    2016-06-15

    Compressible magnetohydrodynamic (MHD) turbulence is ubiquitous in astrophysical phenomena ranging from the intergalactic to the stellar scales. In studying them, numerical simulations are nearly inescapable, due to the large degree of nonlinearity involved. However, the dynamical ranges of these phenomena are much larger than what is computationally accessible. In large eddy simulations (LESs), the resulting limited resolution effects are addressed explicitly by introducing to the equations of motion additional terms associated with the unresolved, subgrid-scale dynamics. This renders the system unclosed. We derive a set of nonlinear structural closures for the ideal MHD LES equations with particular emphasis on the effects of compressibility. The closures are based on a gradient expansion of the finite-resolution operator [W. K. Yeo (CUP, 1993)] and require no assumptions about the nature of the flow or magnetic field. Thus, the scope of their applicability ranges from the sub- to the hyper-sonic and -Alfvénic regimes. The closures support spectral energy cascades both up and down-scale, as well as direct transfer between kinetic and magnetic resolved and unresolved energy budgets. They implicitly take into account the local geometry, and in particular, the anisotropy of the flow. Their properties are a priori validated in Paper II [P. Grete et al., Phys. Plasmas 23, 062317 (2016)] against alternative closures available in the literature with respect to a wide range of simulation data of homogeneous and isotropic turbulence.

  9. Subgrid Parameterization of the Soil Moisture Storage Capacity for a Distributed Rainfall-Runoff Model

    Directory of Open Access Journals (Sweden)

    Weijian Guo

    2015-05-01

    Full Text Available Spatial variability plays an important role in nonlinear hydrologic processes. Due to the limitation of computational efficiency and data resolution, subgrid variability is usually assumed to be uniform for most grid-based rainfall-runoff models, which leads to the scale-dependence of model performances. In this paper, the scale effect on the Grid-Xinanjiang model was examined. The bias of the estimation of precipitation, runoff, evapotranspiration and soil moisture at the different grid scales, along with the scale-dependence of the effective parameters, highlights the importance of well representing the subgrid variability. This paper presents a subgrid parameterization method to incorporate the subgrid variability of the soil storage capacity, which is a key variable that controls runoff generation and partitioning in the Grid-Xinanjiang model. In light of the similar spatial pattern and physical basis, the soil storage capacity is correlated with the topographic index, whose spatial distribution can more readily be measured. A beta distribution is introduced to represent the spatial distribution of the soil storage capacity within the grid. The results derived from the Yanduhe Basin show that the proposed subgrid parameterization method can effectively correct the watershed soil storage capacity curve. Compared to the original Grid-Xinanjiang model, the model performances are quite consistent at the different grid scales when the subgrid variability is incorporated. This subgrid parameterization method reduces the recalibration necessity when the Digital Elevation Model (DEM resolution is changed. Moreover, it improves the potential for the application of the distributed model in the ungauged basin.

  10. Large eddy simulation of transitional flow in an idealized stenotic blood vessel: evaluation of subgrid scale models.

    Science.gov (United States)

    Pal, Abhro; Anupindi, Kameswararao; Delorme, Yann; Ghaisas, Niranjan; Shetty, Dinesh A; Frankel, Steven H

    2014-07-01

    In the present study, we performed large eddy simulation (LES) of axisymmetric, and 75% stenosed, eccentric arterial models with steady inflow conditions at a Reynolds number of 1000. The results obtained are compared with the direct numerical simulation (DNS) data (Varghese et al., 2007, "Direct Numerical Simulation of Stenotic Flows. Part 1. Steady Flow," J. Fluid Mech., 582, pp. 253-280). An inhouse code (WenoHemo) employing high-order numerical methods for spatial and temporal terms, along with a 2nd order accurate ghost point immersed boundary method (IBM) (Mark, and Vanwachem, 2008, "Derivation and Validation of a Novel Implicit Second-Order Accurate Immersed Boundary Method," J. Comput. Phys., 227(13), pp. 6660-6680) for enforcing boundary conditions on curved geometries is used for simulations. Three subgrid scale (SGS) models, namely, the classical Smagorinsky model (Smagorinsky, 1963, "General Circulation Experiments With the Primitive Equations," Mon. Weather Rev., 91(10), pp. 99-164), recently developed Vreman model (Vreman, 2004, "An Eddy-Viscosity Subgrid-Scale Model for Turbulent Shear Flow: Algebraic Theory and Applications," Phys. Fluids, 16(10), pp. 3670-3681), and the Sigma model (Nicoud et al., 2011, "Using Singular Values to Build a Subgrid-Scale Model for Large Eddy Simulations," Phys. Fluids, 23(8), 085106) are evaluated in the present study. Evaluation of SGS models suggests that the classical constant coefficient Smagorinsky model gives best agreement with the DNS data, whereas the Vreman and Sigma models predict an early transition to turbulence in the poststenotic region. Supplementary simulations are performed using Open source field operation and manipulation (OpenFOAM) ("OpenFOAM," http://www.openfoam.org/) solver and the results are inline with those obtained with WenoHemo.

  11. Modeling Subgrid Scale Droplet Deposition in Multiphase-CFD

    Science.gov (United States)

    Agostinelli, Giulia; Baglietto, Emilio

    2017-11-01

    The development of first-principle-based constitutive equations for the Eulerian-Eulerian CFD modeling of annular flow is a major priority to extend the applicability of multiphase CFD (M-CFD) across all two-phase flow regimes. Two key mechanisms need to be incorporated in the M-CFD framework, the entrainment of droplets from the liquid film, and their deposition. Here we focus first on the aspect of deposition leveraging a separate effects approach. Current two-field methods in M-CFD do not include appropriate local closures to describe the deposition of droplets in annular flow conditions. As many integral correlations for deposition have been proposed for lumped parameters methods applications, few attempts exist in literature to extend their applicability to CFD simulations. The integral nature of the approach limits its applicability to fully developed flow conditions, without geometrical or flow variations, therefore negating the scope of CFD application. A new approach is proposed here that leverages local quantities to predict the subgrid-scale deposition rate. The methodology is first tested into a three-field approach CFD model.

  12. High-resolution subgrid models: background, grid generation, and implementation

    Science.gov (United States)

    Sehili, Aissa; Lang, Günther; Lippert, Christoph

    2014-04-01

    The basic idea of subgrid models is the use of available high-resolution bathymetric data at subgrid level in computations that are performed on relatively coarse grids allowing large time steps. For that purpose, an algorithm that correctly represents the precise mass balance in regions where wetting and drying occur was derived by Casulli (Int J Numer Method Fluids 60:391-408, 2009) and Casulli and Stelling (Int J Numer Method Fluids 67:441-449, 2010). Computational grid cells are permitted to be wet, partially wet, or dry, and no drying threshold is needed. Based on the subgrid technique, practical applications involving various scenarios were implemented including an operational forecast model for water level, salinity, and temperature of the Elbe Estuary in Germany. The grid generation procedure allows a detailed boundary fitting at subgrid level. The computational grid is made of flow-aligned quadrilaterals including few triangles where necessary. User-defined grid subdivision at subgrid level allows a correct representation of the volume up to measurement accuracy. Bottom friction requires a particular treatment. Based on the conveyance approach, an appropriate empirical correction was worked out. The aforementioned features make the subgrid technique very efficient, robust, and accurate. Comparison of predicted water levels with the comparatively highly resolved classical unstructured grid model shows very good agreement. The speedup in computational performance due to the use of the subgrid technique is about a factor of 20. A typical daily forecast can be carried out in less than 10 min on a standard PC-like hardware. The subgrid technique is therefore a promising framework to perform accurate temporal and spatial large-scale simulations of coastal and estuarine flow and transport processes at low computational cost.

  13. Recursive renormalization group theory based subgrid modeling

    Science.gov (United States)

    Zhou, YE

    1991-01-01

    Advancing the knowledge and understanding of turbulence theory is addressed. Specific problems to be addressed will include studies of subgrid models to understand the effects of unresolved small scale dynamics on the large scale motion which, if successful, might substantially reduce the number of degrees of freedom that need to be computed in turbulence simulation.

  14. A new subgrid characteristic length for turbulence simulations on anisotropic grids

    Science.gov (United States)

    Trias, F. X.; Gorobets, A.; Silvis, M. H.; Verstappen, R. W. C. P.; Oliva, A.

    2017-11-01

    Direct numerical simulations of the incompressible Navier-Stokes equations are not feasible yet for most practical turbulent flows. Therefore, dynamically less complex mathematical formulations are necessary for coarse-grained simulations. In this regard, eddy-viscosity models for Large-Eddy Simulation (LES) are probably the most popular example thereof. This type of models requires the calculation of a subgrid characteristic length which is usually associated with the local grid size. For isotropic grids, this is equal to the mesh step. However, for anisotropic or unstructured grids, such as the pancake-like meshes that are often used to resolve near-wall turbulence or shear layers, a consensus on defining the subgrid characteristic length has not been reached yet despite the fact that it can strongly affect the performance of LES models. In this context, a new definition of the subgrid characteristic length is presented in this work. This flow-dependent length scale is based on the turbulent, or subgrid stress, tensor and its representations on different grids. The simplicity and mathematical properties suggest that it can be a robust definition that minimizes the effects of mesh anisotropies on simulation results. The performance of the proposed subgrid characteristic length is successfully tested for decaying isotropic turbulence and a turbulent channel flow using artificially refined grids. Finally, a simple extension of the method for unstructured meshes is proposed and tested for a turbulent flow around a square cylinder. Comparisons with existing subgrid characteristic length scales show that the proposed definition is much more robust with respect to mesh anisotropies and has a great potential to be used in complex geometries where highly skewed (unstructured) meshes are present.

  15. An improved anisotropy-resolving subgrid-scale model for flows in laminar–turbulent transition region

    International Nuclear Information System (INIS)

    Inagaki, Masahide; Abe, Ken-ichi

    2017-01-01

    Highlights: • An anisotropy-resolving subgrid-scale model, covering a wide range of grid resolutions, is improved. • The new model enhances its applicability to flows in the laminar-turbulent transition region. • A mixed-timescale subgrid-scale model is used as the eddy viscosity model. • The proposed model successfully predicts the channel flows at transitional Reynolds numbers. • The influence of the definition of the grid-filter width is also investigated. - Abstract: Some types of mixed subgrid-scale (SGS) models combining an isotropic eddy-viscosity model and a scale-similarity model can be used to effectively improve the accuracy of large eddy simulation (LES) in predicting wall turbulence. Abe (2013) has recently proposed a stabilized mixed model that maintains its computational stability through a unique procedure that prevents the energy transfer between the grid-scale (GS) and SGS components induced by the scale-similarity term. At the same time, since this model can successfully predict the anisotropy of the SGS stress, the predictive performance, particularly at coarse grid resolutions, is remarkably improved in comparison with other mixed models. However, since the stabilized anisotropy-resolving SGS model includes a transport equation of the SGS turbulence energy, k SGS , containing a production term proportional to the square root of k SGS , its applicability to flows with both laminar and turbulent regions is not so high. This is because such a production term causes k SGS to self-reproduce. Consequently, the laminar–turbulent transition region predicted by this model depends on the inflow or initial condition of k SGS . To resolve these issues, in the present study, the mixed-timescale (MTS) SGS model proposed by Inagaki et al. (2005) is introduced into the stabilized mixed model as the isotropic eddy-viscosity part and the production term in the k SGS transport equation. In the MTS model, the SGS turbulence energy, k es , estimated by

  16. Mesh-Sequenced Realizations for Evaluation of Subgrid-Scale Models for Turbulent Combustion (Short Term Innovative Research Program)

    Science.gov (United States)

    2018-02-15

    conservation equations. The closure problem hinges on the evaluation of the filtered chemical production rates. In MRA/MSR, simultaneous large-eddy... simultaneous , constrained large-eddy simulations at three different mesh levels as a means of connecting reactive scalar information at different...functions of a locally normalized subgrid Damköhler number (a measure of the distribution of inverse chemical time scales in the neighborhood of a

  17. Unsteady Flame Embedding (UFE) Subgrid Model for Turbulent Premixed Combustion Simulations

    KAUST Repository

    El-Asrag, Hossam

    2010-01-04

    We present a formulation for an unsteady subgrid model for premixed combustion in the flamelet regime. Since chemistry occurs at the unresolvable scales, it is necessary to introduce a subgrid model that accounts for the multi-scale nature of the problem using the information available on the resolved scales. Most of the current models are based on the laminar flamelet concept, and often neglect the unsteady effects. The proposed model\\'s primary objective is to encompass many of the flame/turbulence interactions unsteady features and history effects. In addition it provides a dynamic and accurate approach for computing the subgrid flame propagation velocity. The unsteady flame embedding approach (UFE) treats the flame as an ensemble of locally one-dimensional flames. A set of elemental one dimensional flames is used to describe the turbulent flame structure at the subgrid level. The stretched flame calculations are performed on the stagnation line of a strained flame using the unsteady filtered strain rate computed from the resolved- grid. The flame iso-surface is tracked using an accurate high-order level set formulation to propagate the flame interface at the coarse resolution with minimum numerical diffusion. In this paper the solver and the model components are introduced and used to investigate two unsteady flames with different Lewis numbers in the thin reaction zone regime. The results show that the UFE model captures the unsteady flame-turbulence interactions and the flame propagation speed reasonably well. Higher propagation speed is observed for the lower than unity Lewis number flame because of the impact of differential diffusion.

  18. Sensitivity test of parameterizations of subgrid-scale orographic form drag in the NCAR CESM1

    Science.gov (United States)

    Liang, Yishuang; Wang, Lanning; Zhang, Guang Jun; Wu, Qizhong

    2017-05-01

    Turbulent drag caused by subgrid orographic form drag has significant effects on the atmosphere. It is represented through parameterization in large-scale numerical prediction models. An indirect parameterization scheme, the Turbulent Mountain Stress scheme (TMS), is currently used in the National Center for Atmospheric Research Community Earth System Model v1.0.4. In this study we test a direct scheme referred to as BBW04 (Beljaars et al. in Q J R Meteorol Soc 130:1327-1347, 10.1256/qj.03.73), which has been used in several short-term weather forecast models and earth system models. Results indicate that both the indirect and direct schemes increase surface wind stress and improve the model's performance in simulating low-level wind speed over complex orography compared to the simulation without subgrid orographic effect. It is shown that the TMS scheme produces a more intense wind speed adjustment, leading to lower wind speed near the surface. The low-level wind speed by the BBW04 scheme agrees better with the ERA-Interim reanalysis and is more sensitive to complex orography as a direct method. Further, the TMS scheme increases the 2-m temperature and planetary boundary layer height over large areas of tropical and subtropical Northern Hemisphere land.

  19. A scale invariance criterion for LES parametrizations

    Directory of Open Access Journals (Sweden)

    Urs Schaefer-Rolffs

    2015-01-01

    Full Text Available Turbulent kinetic energy cascades in fluid dynamical systems are usually characterized by scale invariance. However, representations of subgrid scales in large eddy simulations do not necessarily fulfill this constraint. So far, scale invariance has been considered in the context of isotropic, incompressible, and three-dimensional turbulence. In the present paper, the theory is extended to compressible flows that obey the hydrostatic approximation, as well as to corresponding subgrid-scale parametrizations. A criterion is presented to check if the symmetries of the governing equations are correctly translated into the equations used in numerical models. By applying scaling transformations to the model equations, relations between the scaling factors are obtained by demanding that the mathematical structure of the equations does not change.The criterion is validated by recovering the breakdown of scale invariance in the classical Smagorinsky model and confirming scale invariance for the Dynamic Smagorinsky Model. The criterion also shows that the compressible continuity equation is intrinsically scale-invariant. The criterion also proves that a scale-invariant turbulent kinetic energy equation or a scale-invariant equation of motion for a passive tracer is obtained only with a dynamic mixing length. For large-scale atmospheric flows governed by the hydrostatic balance the energy cascade is due to horizontal advection and the vertical length scale exhibits a scaling behaviour that is different from that derived for horizontal length scales.

  20. A subgrid parameterization scheme for precipitation

    Directory of Open Access Journals (Sweden)

    S. Turner

    2012-04-01

    Full Text Available With increasing computing power, the horizontal resolution of numerical weather prediction (NWP models is improving and today reaches 1 to 5 km. Nevertheless, clouds and precipitation formation are still subgrid scale processes for most cloud types, such as cumulus and stratocumulus. Subgrid scale parameterizations for water vapor condensation have been in use for many years and are based on a prescribed probability density function (PDF of relative humidity spatial variability within the model grid box, thus providing a diagnosis of the cloud fraction. A similar scheme is developed and tested here. It is based on a prescribed PDF of cloud water variability and a threshold value of liquid water content for droplet collection to derive a rain fraction within the model grid. Precipitation of rainwater raises additional concerns relative to the overlap of cloud and rain fractions, however. The scheme is developed following an analysis of data collected during field campaigns in stratocumulus (DYCOMS-II and fair weather cumulus (RICO and tested in a 1-D framework against large eddy simulations of these observed cases. The new parameterization is then implemented in a 3-D NWP model with a horizontal resolution of 2.5 km to simulate real cases of precipitating cloud systems over France.

  1. Simulations of mixing in Inertial Confinement Fusion with front tracking and sub-grid scale models

    Science.gov (United States)

    Rana, Verinder; Lim, Hyunkyung; Melvin, Jeremy; Cheng, Baolian; Glimm, James; Sharp, David

    2015-11-01

    We present two related results. The first discusses the Richtmyer-Meshkov (RMI) and Rayleigh-Taylor instabilities (RTI) and their evolution in Inertial Confinement Fusion simulations. We show the evolution of the RMI to the late time RTI under transport effects and tracking. The role of the sub-grid scales helps capture the interaction of turbulence with diffusive processes. The second assesses the effects of concentration on the physics model and examines the mixing properties in the low Reynolds number hot spot. We discuss the effect of concentration on the Schmidt number. The simulation results are produced using the University of Chicago code FLASH and Stony Brook University's front tracking algorithm.

  2. Birefringent dispersive FDTD subgridding scheme

    OpenAIRE

    De Deckere, B; Van Londersele, Arne; De Zutter, Daniël; Vande Ginste, Dries

    2016-01-01

    A novel 2D finite difference time domain (FDTD) subgridding method is proposed, only subject to the Courant limit of the coarse grid. By making mu or epsilon inside the subgrid dispersive, unconditional stability is induced at the cost of a sparse, implicit set of update equations. By only adding dispersion along preferential directions, it is possible to dramatically reduce the rank of the matrix equation that needs to be solved.

  3. Final Report. Evaluating the Climate Sensitivity of Dissipative Subgrid-Scale Mixing Processes and Variable Resolution in NCAR's Community Earth System Model

    Energy Technology Data Exchange (ETDEWEB)

    Jablonowski, Christiane [Univ. of Michigan, Ann Arbor, MI (United States)

    2015-12-14

    The goals of this project were to (1) assess and quantify the sensitivity and scale-dependency of unresolved subgrid-scale mixing processes in NCAR’s Community Earth System Model (CESM), and (2) to improve the accuracy and skill of forthcoming CESM configurations on modern cubed-sphere and variable-resolution computational grids. The research thereby contributed to the description and quantification of uncertainties in CESM’s dynamical cores and their physics-dynamics interactions.

  4. A criterion of orthogonality on the assumption and restrictions in subgrid-scale modelling of turbulence

    Energy Technology Data Exchange (ETDEWEB)

    Fang, L. [LMP, Ecole Centrale de Pékin, Beihang University, Beijing 100191 (China); Co-Innovation Center for Advanced Aero-Engine, Beihang University, Beijing 100191 (China); Sun, X.Y. [LMP, Ecole Centrale de Pékin, Beihang University, Beijing 100191 (China); Liu, Y.W., E-mail: liuyangwei@126.com [National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Co-Innovation Center for Advanced Aero-Engine, Beihang University, Beijing 100191 (China)

    2016-12-09

    In order to shed light on understanding the subgrid-scale (SGS) modelling methodology, we analyze and define the concepts of assumption and restriction in the modelling procedure, then show by a generalized derivation that if there are multiple stationary restrictions in a modelling, the corresponding assumption function must satisfy a criterion of orthogonality. Numerical tests using one-dimensional nonlinear advection equation are performed to validate this criterion. This study is expected to inspire future research on generally guiding the SGS modelling methodology. - Highlights: • The concepts of assumption and restriction in the SGS modelling procedure are defined. • A criterion of orthogonality on the assumption and restrictions is derived. • Numerical tests using one-dimensional nonlinear advection equation are performed to validate this criterion.

  5. Rotating Turbulent Flow Simulation with LES and Vreman Subgrid-Scale Models in Complex Geometries

    Directory of Open Access Journals (Sweden)

    Tao Guo

    2014-07-01

    Full Text Available The large eddy simulation (LES method based on Vreman subgrid-scale model and SIMPIEC algorithm were applied to accurately capture the flowing character in Francis turbine passage under the small opening condition. The methodology proposed is effective to understand the flow structure well. It overcomes the limitation of eddy-viscosity model which is excessive, dissipative. Distributions of pressure, velocity, and vorticity as well as some special flow structure in guide vane near-wall zones and blade passage were gained. The results show that the tangential velocity component of fluid has absolute superiority under small opening condition. This situation aggravates the impact between the wake vortices that shed from guide vanes. The critical influence on the balance of unit by spiral vortex in blade passage and the nonuniform flow around guide vane, combined with the transmitting of stress wave, has been confirmed.

  6. Large Eddy Simulations of a Premixed Jet Combustor Using Flamelet-Generated Manifolds: Effects of Heat Loss and Subgrid-Scale Models

    KAUST Repository

    Hernandez Perez, Francisco E.; Lee, Bok Jik; Im, Hong G.; Fancello, Alessio; Donini, Andrea; van Oijen, Jeroen A.; de Goey, Philip H.

    2017-01-01

    Large eddy simulations of a turbulent premixed jet flame in a confined chamber were conducted using the flamelet-generated manifold technique for chemistry tabulation. The configuration is characterized by an off-center nozzle having an inner diameter of 10 mm, supplying a lean methane-air mixture with an equivalence ratio of 0.71 and a mean velocity of 90 m/s, at 573 K and atmospheric pressure. Conductive heat loss is accounted for in the manifold via burner-stabilized flamelets and the subgrid-scale (SGS) turbulencechemistry interaction is modeled via presumed probability density functions. Comparisons between numerical results and measured data show that a considerable improvement in the prediction of temperature is achieved when heat losses are included in the manifold, as compared to the adiabatic one. Additional improvement in the temperature predictions is obtained by incorporating radiative heat losses. Moreover, further enhancements in the LES predictions are achieved by employing SGS models based on transport equations, such as the SGS turbulence kinetic energy equation with dynamic coefficients. While the numerical results display good agreement up to a distance of 4 nozzle diameters downstream of the nozzle exit, the results become less satisfactory along the downstream, suggesting that further improvements in the modeling are required, among which a more accurate model for the SGS variance of progress variable can be relevant.

  7. Large Eddy Simulations of a Premixed Jet Combustor Using Flamelet-Generated Manifolds: Effects of Heat Loss and Subgrid-Scale Models

    KAUST Repository

    Hernandez Perez, Francisco E.

    2017-01-05

    Large eddy simulations of a turbulent premixed jet flame in a confined chamber were conducted using the flamelet-generated manifold technique for chemistry tabulation. The configuration is characterized by an off-center nozzle having an inner diameter of 10 mm, supplying a lean methane-air mixture with an equivalence ratio of 0.71 and a mean velocity of 90 m/s, at 573 K and atmospheric pressure. Conductive heat loss is accounted for in the manifold via burner-stabilized flamelets and the subgrid-scale (SGS) turbulencechemistry interaction is modeled via presumed probability density functions. Comparisons between numerical results and measured data show that a considerable improvement in the prediction of temperature is achieved when heat losses are included in the manifold, as compared to the adiabatic one. Additional improvement in the temperature predictions is obtained by incorporating radiative heat losses. Moreover, further enhancements in the LES predictions are achieved by employing SGS models based on transport equations, such as the SGS turbulence kinetic energy equation with dynamic coefficients. While the numerical results display good agreement up to a distance of 4 nozzle diameters downstream of the nozzle exit, the results become less satisfactory along the downstream, suggesting that further improvements in the modeling are required, among which a more accurate model for the SGS variance of progress variable can be relevant.

  8. Discontinuous Galerkin Subgrid Finite Element Method for Heterogeneous Brinkman’s Equations

    KAUST Repository

    Iliev, Oleg P.

    2010-01-01

    We present a two-scale finite element method for solving Brinkman\\'s equations with piece-wise constant coefficients. This system of equations model fluid flows in highly porous, heterogeneous media with complex topology of the heterogeneities. We make use of the recently proposed discontinuous Galerkin FEM for Stokes equations by Wang and Ye in [12] and the concept of subgrid approximation developed for Darcy\\'s equations by Arbogast in [4]. In order to reduce the error along the coarse-grid interfaces we have added a alternating Schwarz iteration using patches around the coarse-grid boundaries. We have implemented the subgrid method using Deal.II FEM library, [7], and we present the computational results for a number of model problems. © 2010 Springer-Verlag Berlin Heidelberg.

  9. Comparison of Large eddy dynamo simulation using dynamic sub-grid scale (SGS) model with a fully resolved direct simulation in a rotating spherical shell

    Science.gov (United States)

    Matsui, H.; Buffett, B. A.

    2017-12-01

    The flow in the Earth's outer core is expected to have vast length scale from the geometry of the outer core to the thickness of the boundary layer. Because of the limitation of the spatial resolution in the numerical simulations, sub-grid scale (SGS) modeling is required to model the effects of the unresolved field on the large-scale fields. We model the effects of sub-grid scale flow and magnetic field using a dynamic scale similarity model. Four terms are introduced for the momentum flux, heat flux, Lorentz force and magnetic induction. The model was previously used in the convection-driven dynamo in a rotating plane layer and spherical shell using the Finite Element Methods. In the present study, we perform large eddy simulations (LES) using the dynamic scale similarity model. The scale similarity model is implement in Calypso, which is a numerical dynamo model using spherical harmonics expansion. To obtain the SGS terms, the spatial filtering in the horizontal directions is done by taking the convolution of a Gaussian filter expressed in terms of a spherical harmonic expansion, following Jekeli (1981). A Gaussian field is also applied in the radial direction. To verify the present model, we perform a fully resolved direct numerical simulation (DNS) with the truncation of the spherical harmonics L = 255 as a reference. And, we perform unresolved DNS and LES with SGS model on coarser resolution (L= 127, 84, and 63) using the same control parameter as the resolved DNS. We will discuss the verification results by comparison among these simulations and role of small scale fields to large scale fields through the role of the SGS terms in LES.

  10. Application of a Steady Meandering River with Piers Using a Lattice Boltzmann Sub-Grid Model in Curvilinear Coordinate Grid

    Directory of Open Access Journals (Sweden)

    Liping Chen

    2018-05-01

    Full Text Available A sub-grid multiple relaxation time (MRT lattice Boltzmann model with curvilinear coordinates is applied to simulate an artificial meandering river. The method is based on the D2Q9 model and standard Smagorinsky sub-grid scale (SGS model is introduced to simulate meandering flows. The interpolation supplemented lattice Boltzmann method (ISLBM and the non-equilibrium extrapolation method are used for second-order accuracy and boundary conditions. The proposed model was validated by a meandering channel with a 180° bend and applied to a steady curved river with piers. Excellent agreement between the simulated results and previous computational and experimental data was found, showing that MRT-LBM (MRT lattice Boltzmann method coupled with a Smagorinsky sub-grid scale (SGS model in a curvilinear coordinates grid is capable of simulating practical meandering flows.

  11. Impact of Subgrid Scale Models and Heat Loss on Large Eddy Simulations of a Premixed Jet Burner Using Flamelet-Generated Manifolds

    Science.gov (United States)

    Hernandez Perez, Francisco E.; Im, Hong G.; Lee, Bok Jik; Fancello, Alessio; Donini, Andrea; van Oijen, Jeroen A.; de Goey, L. Philip H.

    2017-11-01

    Large eddy simulations (LES) of a turbulent premixed jet flame in a confined chamber are performed employing the flamelet-generated manifold (FGM) method for tabulation of chemical kinetics and thermochemical properties, as well as the OpenFOAM framework for computational fluid dynamics. The burner has been experimentally studied by Lammel et al. (2011) and features an off-center nozzle, feeding a preheated lean methane-air mixture with an equivalence ratio of 0.71 and mean velocity of 90 m/s, at 573 K and atmospheric pressure. Conductive heat loss is accounted for in the FGM tabulation via burner-stabilized flamelets and the subgrid-scale (SGS) turbulence-chemistry interaction is modeled via presumed filtered density functions. The impact of heat loss inclusion as well as SGS modeling for both the SGS stresses and SGS variance of progress variable on the numerical results is investigated. Comparisons of the LES results against measurements show a significant improvement in the prediction of temperature when heat losses are incorporated into FGM. While further enhancements in the LES results are accomplished by using SGS models based on transported quantities and/or dynamically computed coefficients as compared to the Smagorinsky model, heat loss inclusion is more relevant. This research was sponsored by King Abdullah University of Science and Technology (KAUST) and made use of computational resources at KAUST Supercomputing Laboratory.

  12. Computation of transitional flow past a circular cylinder using multiblock lattice Boltzmann method with a dynamic subgrid scale model

    International Nuclear Information System (INIS)

    Premnath, Kannan N; Pattison, Martin J; Banerjee, Sanjoy

    2013-01-01

    Lattice Boltzmann method (LBM) is a kinetic based numerical scheme for the simulation of fluid flow. While the approach has attracted considerable attention during the last two decades, there is a need for systematic investigation of its applicability for complex canonical turbulent flow problems of engineering interest, where the nature of the numerical properties of the underlying scheme plays an important role for their accurate solution. In this paper, we discuss and evaluate a LBM based on a multiblock approach for efficient large eddy simulation of three-dimensional external flow past a circular cylinder in the transitional regime characterized by the presence of multiple scales. For enhanced numerical stability at higher Reynolds numbers, a multiple relaxation time formulation is considered. The effect of subgrid scales is represented by means of a Smagorinsky eddy-viscosity model, where the model coefficient is computed locally by means of a dynamic procedure, providing better representation of flow physics with reduced empiricism. Simulations are performed for a Reynolds number of 3900 based on the free stream velocity and cylinder diameter for which prior data is available for comparison. The presence of laminar boundary layer which separates into a pair of shear layers that evolve into turbulent wakes impose particular challenge for numerical methods for this condition. The relatively low numerical dissipation introduced by the inherently parallel and second-order accurate LBM is an important computational asset in this regard. Computations using five different grid levels, where the various blocks are suitably aligned to resolve multiscale flow features show that the structure of the recirculation region is well reproduced and the statistics of the mean flow and turbulent fluctuations are in satisfactory agreement with prior data. (paper)

  13. Computation of transitional flow past a circular cylinder using multiblock lattice Boltzmann method with a dynamic subgrid scale model

    Energy Technology Data Exchange (ETDEWEB)

    Premnath, Kannan N [Department of Mechanical Engineering, University of Colorado Denver, 1200 Larimer Street, Denver, CO 80217 (United States); Pattison, Martin J [HyPerComp Inc., 2629 Townsgate Road, Suite 105, Westlake Village, CA 91361 (United States); Banerjee, Sanjoy, E-mail: kannan.premnath@ucdenver.edu, E-mail: kannan.np@gmail.com [Department of Chemical Engineering, City College of New York, City University of New York, New York, NY 10031 (United States)

    2013-10-15

    Lattice Boltzmann method (LBM) is a kinetic based numerical scheme for the simulation of fluid flow. While the approach has attracted considerable attention during the last two decades, there is a need for systematic investigation of its applicability for complex canonical turbulent flow problems of engineering interest, where the nature of the numerical properties of the underlying scheme plays an important role for their accurate solution. In this paper, we discuss and evaluate a LBM based on a multiblock approach for efficient large eddy simulation of three-dimensional external flow past a circular cylinder in the transitional regime characterized by the presence of multiple scales. For enhanced numerical stability at higher Reynolds numbers, a multiple relaxation time formulation is considered. The effect of subgrid scales is represented by means of a Smagorinsky eddy-viscosity model, where the model coefficient is computed locally by means of a dynamic procedure, providing better representation of flow physics with reduced empiricism. Simulations are performed for a Reynolds number of 3900 based on the free stream velocity and cylinder diameter for which prior data is available for comparison. The presence of laminar boundary layer which separates into a pair of shear layers that evolve into turbulent wakes impose particular challenge for numerical methods for this condition. The relatively low numerical dissipation introduced by the inherently parallel and second-order accurate LBM is an important computational asset in this regard. Computations using five different grid levels, where the various blocks are suitably aligned to resolve multiscale flow features show that the structure of the recirculation region is well reproduced and the statistics of the mean flow and turbulent fluctuations are in satisfactory agreement with prior data. (paper)

  14. Development of fine-resolution analyses and expanded large-scale forcing properties: 2. Scale awareness and application to single-column model experiments

    Science.gov (United States)

    Feng, Sha; Li, Zhijin; Liu, Yangang; Lin, Wuyin; Zhang, Minghua; Toto, Tami; Vogelmann, Andrew M.; Endo, Satoshi

    2015-01-01

    three-dimensional fields have been produced using the Community Gridpoint Statistical Interpolation (GSI) data assimilation system for the U.S. Department of Energy's Atmospheric Radiation Measurement Program (ARM) Southern Great Plains region. The GSI system is implemented in a multiscale data assimilation framework using the Weather Research and Forecasting model at a cloud-resolving resolution of 2 km. From the fine-resolution three-dimensional fields, large-scale forcing is derived explicitly at grid-scale resolution; a subgrid-scale dynamic component is derived separately, representing subgrid-scale horizontal dynamic processes. Analyses show that the subgrid-scale dynamic component is often a major component over the large-scale forcing for grid scales larger than 200 km. The single-column model (SCM) of the Community Atmospheric Model version 5 is used to examine the impact of the grid-scale and subgrid-scale dynamic components on simulated precipitation and cloud fields associated with a mesoscale convective system. It is found that grid-scale size impacts simulated precipitation, resulting in an overestimation for grid scales of about 200 km but an underestimation for smaller grids. The subgrid-scale dynamic component has an appreciable impact on the simulations, suggesting that grid-scale and subgrid-scale dynamic components should be considered in the interpretation of SCM simulations.

  15. Monte Carlo-based subgrid parameterization of vertical velocity and stratiform cloud microphysics in ECHAM5.5-HAM2

    Directory of Open Access Journals (Sweden)

    J. Tonttila

    2013-08-01

    Full Text Available A new method for parameterizing the subgrid variations of vertical velocity and cloud droplet number concentration (CDNC is presented for general circulation models (GCMs. These parameterizations build on top of existing parameterizations that create stochastic subgrid cloud columns inside the GCM grid cells, which can be employed by the Monte Carlo independent column approximation approach for radiative transfer. The new model version adds a description for vertical velocity in individual subgrid columns, which can be used to compute cloud activation and the subgrid distribution of the number of cloud droplets explicitly. Autoconversion is also treated explicitly in the subcolumn space. This provides a consistent way of simulating the cloud radiative effects with two-moment cloud microphysical properties defined at subgrid scale. The primary impact of the new parameterizations is to decrease the CDNC over polluted continents, while over the oceans the impact is smaller. Moreover, the lower CDNC induces a stronger autoconversion of cloud water to rain. The strongest reduction in CDNC and cloud water content over the continental areas promotes weaker shortwave cloud radiative effects (SW CREs even after retuning the model. However, compared to the reference simulation, a slightly stronger SW CRE is seen e.g. over mid-latitude oceans, where CDNC remains similar to the reference simulation, and the in-cloud liquid water content is slightly increased after retuning the model.

  16. Enhancing the representation of subgrid land surface characteristics in land surface models

    Directory of Open Access Journals (Sweden)

    Y. Ke

    2013-09-01

    Full Text Available Land surface heterogeneity has long been recognized as important to represent in the land surface models. In most existing land surface models, the spatial variability of surface cover is represented as subgrid composition of multiple surface cover types, although subgrid topography also has major controls on surface processes. In this study, we developed a new subgrid classification method (SGC that accounts for variability of both topography and vegetation cover. Each model grid cell was represented with a variable number of elevation classes and each elevation class was further described by a variable number of vegetation types optimized for each model grid given a predetermined total number of land response units (LRUs. The subgrid structure of the Community Land Model (CLM was used to illustrate the newly developed method in this study. Although the new method increases the computational burden in the model simulation compared to the CLM subgrid vegetation representation, it greatly reduced the variations of elevation within each subgrid class and is able to explain at least 80% of the total subgrid plant functional types (PFTs. The new method was also evaluated against two other subgrid methods (SGC1 and SGC2 that assigned fixed numbers of elevation and vegetation classes for each model grid (SGC1: M elevation bands–N PFTs method; SGC2: N PFTs–M elevation bands method. Implemented at five model resolutions (0.1°, 0.25°, 0.5°, 1.0°and 2.0° with three maximum-allowed total number of LRUs (i.e., NLRU of 24, 18 and 12 over North America (NA, the new method yielded more computationally efficient subgrid representation compared to SGC1 and SGC2, particularly at coarser model resolutions and moderate computational intensity (NLRU = 18. It also explained the most PFTs and elevation variability that is more homogeneously distributed spatially. The SGC method will be implemented in CLM over the NA continent to assess its impacts on

  17. Impact of Sub-grid Soil Textural Properties on Simulations of Hydrological Fluxes at the Continental Scale Mississippi River Basin

    Science.gov (United States)

    Kumar, R.; Samaniego, L. E.; Livneh, B.

    2013-12-01

    Knowledge of soil hydraulic properties such as porosity and saturated hydraulic conductivity is required to accurately model the dynamics of near-surface hydrological processes (e.g. evapotranspiration and root-zone soil moisture dynamics) and provide reliable estimates of regional water and energy budgets. Soil hydraulic properties are commonly derived from pedo-transfer functions using soil textural information recorded during surveys, such as the fractions of sand and clay, bulk density, and organic matter content. Typically large scale land-surface models are parameterized using a relatively coarse soil map with little or no information on parametric sub-grid variability. In this study we analyze the impact of sub-grid soil variability on simulated hydrological fluxes over the Mississippi River Basin (≈3,240,000 km2) at multiple spatio-temporal resolutions. A set of numerical experiments were conducted with the distributed mesoscale hydrologic model (mHM) using two soil datasets: (a) the Digital General Soil Map of the United States or STATSGO2 (1:250 000) and (b) the recently collated Harmonized World Soil Database based on the FAO-UNESCO Soil Map of the World (1:5 000 000). mHM was parameterized with the multi-scale regionalization technique that derives distributed soil hydraulic properties via pedo-transfer functions and regional coefficients. Within the experimental framework, the 3-hourly model simulations were conducted at four spatial resolutions ranging from 0.125° to 1°, using meteorological datasets from the NLDAS-2 project for the time period 1980-2012. Preliminary results indicate that the model was able to capture observed streamflow behavior reasonably well with both soil datasets, in the major sub-basins (i.e. the Missouri, the Upper Mississippi, the Ohio, the Red, and the Arkansas). However, the spatio-temporal patterns of simulated water fluxes and states (e.g. soil moisture, evapotranspiration) from both simulations, showed marked

  18. Subgrid-scale scalar flux modelling based on optimal estimation theory and machine-learning procedures

    Science.gov (United States)

    Vollant, A.; Balarac, G.; Corre, C.

    2017-09-01

    New procedures are explored for the development of models in the context of large eddy simulation (LES) of a passive scalar. They rely on the combination of the optimal estimator theory with machine-learning algorithms. The concept of optimal estimator allows to identify the most accurate set of parameters to be used when deriving a model. The model itself can then be defined by training an artificial neural network (ANN) on a database derived from the filtering of direct numerical simulation (DNS) results. This procedure leads to a subgrid scale model displaying good structural performance, which allows to perform LESs very close to the filtered DNS results. However, this first procedure does not control the functional performance so that the model can fail when the flow configuration differs from the training database. Another procedure is then proposed, where the model functional form is imposed and the ANN used only to define the model coefficients. The training step is a bi-objective optimisation in order to control both structural and functional performances. The model derived from this second procedure proves to be more robust. It also provides stable LESs for a turbulent plane jet flow configuration very far from the training database but over-estimates the mixing process in that case.

  19. Effect of grid resolution and subgrid assumptions on the model prediction of a reactive buoyant plume under convective conditions

    International Nuclear Information System (INIS)

    Chock, D.P.; Winkler, S.L.; Pu Sun

    2002-01-01

    We have introduced a new and elaborate approach to understand the impact of grid resolution and subgrid chemistry assumption on the grid-model prediction of species concentrations for a system with highly non-homogeneous chemistry - a reactive buoyant plume immediately downwind of the stack in a convective boundary layer. The Parcel-Grid approach plume was used to describe both the air parcel turbulent transport and chemistry. This approach allows an identical transport process for all simulations. It also allows a description of subgrid chemistry. The ambient and plume parcel transport follows the description of Luhar and Britter (Atmos. Environ, 23 (1989) 1911, 26A (1992) 1283). The chemistry follows that of the Carbon-Bond mechanism. Three different grid sizes were considered: fine, medium and coarse, together with three different subgrid chemistry assumptions: micro-scale or individual parcel, tagged-parcel (plume and ambient parcels treated separately), and untagged-parcel (plume and ambient parcels treated indiscriminately). Reducing the subgrid information is not necessarily similar to increasing the model grid size. In our example, increasing the grid size leads to a reduction in the suppression of ozone in the presence of a high-NO x stack plume, and a reduction in the effectiveness of the NO x -inhibition effect. On the other hand, reducing the subgrid information (by using the untagged-parcel assumption) leads to an increase in ozone reduction and an enhancement of the NO x -inhibition effect insofar as the ozone extremum is concerned. (author)

  20. On the TFNS Subgrid Models for Liquid-Fueled Turbulent Combustion

    Science.gov (United States)

    Liu, Nan-Suey; Wey, Thomas

    2014-01-01

    This paper describes the time-filtered Navier-Stokes (TFNS) approach capable of capturing unsteady flow structures important for turbulent mixing in the combustion chamber and two different subgrid models used to emulate the major processes occurring in the turbulence-chemistry interaction. These two subgrid models are termed as LEM-like model and EUPDF-like model (Eulerian probability density function), respectively. Two-phase turbulent combustion in a single-element lean-direct-injection (LDI) combustor is calculated by employing the TFNS/LEM-like approach as well as the TFNS/EUPDF-like approach. Results obtained from the TFNS approach employing these two different subgrid models are compared with each other, along with the experimental data, followed by more detailed comparison between the results of an updated calculation using the TFNS/LEM-like model and the experimental data.

  1. Structure-Preserving Variational Multiscale Modeling of Turbulent Incompressible Flow with Subgrid Vortices

    Science.gov (United States)

    Evans, John; Coley, Christopher; Aronson, Ryan; Nelson, Corey

    2017-11-01

    In this talk, a large eddy simulation methodology for turbulent incompressible flow will be presented which combines the best features of divergence-conforming discretizations and the residual-based variational multiscale approach to large eddy simulation. In this method, the resolved motion is represented using a divergence-conforming discretization, that is, a discretization that preserves the incompressibility constraint in a pointwise manner, and the unresolved fluid motion is explicitly modeled by subgrid vortices that lie within individual grid cells. The evolution of the subgrid vortices is governed by dynamical model equations driven by the residual of the resolved motion. Consequently, the subgrid vortices appropriately vanish for laminar flow and fully resolved turbulent flow. As the resolved velocity field and subgrid vortices are both divergence-free, the methodology conserves mass in a pointwise sense and admits discrete balance laws for energy, enstrophy, and helicity. Numerical results demonstrate the methodology yields improved results versus state-of-the-art eddy viscosity models in the context of transitional, wall-bounded, and rotational flow when a divergence-conforming B-spline discretization is utilized to represent the resolved motion.

  2. Subgrid models for mass and thermal diffusion in turbulent mixing

    Energy Technology Data Exchange (ETDEWEB)

    Sharp, David H [Los Alamos National Laboratory; Lim, Hyunkyung [STONY BROOK UNIV; Li, Xiao - Lin [STONY BROOK UNIV; Gilmm, James G [STONY BROOK UNIV

    2008-01-01

    We are concerned with the chaotic flow fields of turbulent mixing. Chaotic flow is found in an extreme form in multiply shocked Richtmyer-Meshkov unstable flows. The goal of a converged simulation for this problem is twofold: to obtain converged solutions for macro solution features, such as the trajectories of the principal shock waves, mixing zone edges, and mean densities and velocities within each phase, and also for such micro solution features as the joint probability distributions of the temperature and species concentration. We introduce parameterized subgrid models of mass and thermal diffusion, to define large eddy simulations (LES) that replicate the micro features observed in the direct numerical simulation (DNS). The Schmidt numbers and Prandtl numbers are chosen to represent typical liquid, gas and plasma parameter values. Our main result is to explore the variation of the Schmidt, Prandtl and Reynolds numbers by three orders of magnitude, and the mesh by a factor of 8 per linear dimension (up to 3200 cells per dimension), to allow exploration of both DNS and LES regimes and verification of the simulations for both macro and micro observables. We find mesh convergence for key properties describing the molecular level of mixing, including chemical reaction rates between the distinct fluid species. We find results nearly independent of Reynolds number for Re 300, 6000, 600K . Methodologically, the results are also new. In common with the shock capturing community, we allow and maintain sharp solution gradients, and we enhance these gradients through use of front tracking. In common with the turbulence modeling community, we include subgrid scale models with no adjustable parameters for LES. To the authors' knowledge, these two methodologies have not been previously combined. In contrast to both of these methodologies, our use of Front Tracking, with DNS or LES resolution of the momentum equation at or near the Kolmogorov scale, but without

  3. Sub-grid scale combustion models for large eddy simulation of unsteady premixed flame propagation around obstacles.

    Science.gov (United States)

    Di Sarli, Valeria; Di Benedetto, Almerinda; Russo, Gennaro

    2010-08-15

    In this work, an assessment of different sub-grid scale (sgs) combustion models proposed for large eddy simulation (LES) of steady turbulent premixed combustion (Colin et al., Phys. Fluids 12 (2000) 1843-1863; Flohr and Pitsch, Proc. CTR Summer Program, 2000, pp. 61-82; Kim and Menon, Combust. Sci. Technol. 160 (2000) 119-150; Charlette et al., Combust. Flame 131 (2002) 159-180; Pitsch and Duchamp de Lageneste, Proc. Combust. Inst. 29 (2002) 2001-2008) was performed to identify the model that best predicts unsteady flame propagation in gas explosions. Numerical results were compared to the experimental data by Patel et al. (Proc. Combust. Inst. 29 (2002) 1849-1854) for premixed deflagrating flame in a vented chamber in the presence of three sequential obstacles. It is found that all sgs combustion models are able to reproduce qualitatively the experiment in terms of step of flame acceleration and deceleration around each obstacle, and shape of the propagating flame. Without adjusting any constants and parameters, the sgs model by Charlette et al. also provides satisfactory quantitative predictions for flame speed and pressure peak. Conversely, the sgs combustion models other than Charlette et al. give correct predictions only after an ad hoc tuning of constants and parameters. Copyright 2010 Elsevier B.V. All rights reserved.

  4. Urban runoff (URO) process for MODFLOW 2005: simulation of sub-grid scale urban hydrologic processes in Broward County, FL

    Science.gov (United States)

    Decker, Jeremy D.; Hughes, J.D.

    2013-01-01

    Climate change and sea-level rise could cause substantial changes in urban runoff and flooding in low-lying coast landscapes. A major challenge for local government officials and decision makers is to translate the potential global effects of climate change into actionable and cost-effective adaptation and mitigation strategies at county and municipal scales. A MODFLOW process is used to represent sub-grid scale hydrology in urban settings to help address these issues. Coupled interception, surface water, depression, and unsaturated zone storage are represented. A two-dimensional diffusive wave approximation is used to represent overland flow. Three different options for representing infiltration and recharge are presented. Additional features include structure, barrier, and culvert flow between adjacent cells, specified stage boundaries, critical flow boundaries, source/sink surface-water terms, and the bi-directional runoff to MODFLOW Surface-Water Routing process. Some abilities of the Urban RunOff (URO) process are demonstrated with a synthetic problem using four land uses and varying cell coverages. Precipitation from a hypothetical storm was applied and cell by cell surface-water depth, groundwater level, infiltration rate, and groundwater recharge rate are shown. Results indicate the URO process has the ability to produce time-varying, water-content dependent infiltration and leakage, and successfully interacts with MODFLOW.

  5. Energy partitioning constraints at kinetic scales in low-β turbulence

    Science.gov (United States)

    Gershman, Daniel J.; F.-Viñas, Adolfo; Dorelli, John C.; Goldstein, Melvyn L.; Shuster, Jason; Avanov, Levon A.; Boardsen, Scott A.; Stawarz, Julia E.; Schwartz, Steven J.; Schiff, Conrad; Lavraud, Benoit; Saito, Yoshifumi; Paterson, William R.; Giles, Barbara L.; Pollock, Craig J.; Strangeway, Robert J.; Russell, Christopher T.; Torbert, Roy B.; Moore, Thomas E.; Burch, James L.

    2018-02-01

    Turbulence is a fundamental physical process through which energy injected into a system at large scales cascades to smaller scales. In collisionless plasmas, turbulence provides a critical mechanism for dissipating electromagnetic energy. Here, we present observations of plasma fluctuations in low-β turbulence using data from NASA's Magnetospheric Multiscale mission in Earth's magnetosheath. We provide constraints on the partitioning of turbulent energy density in the fluid, ion-kinetic, and electron-kinetic ranges. Magnetic field fluctuations dominated the energy density spectrum throughout the fluid and ion-kinetic ranges, consistent with previous observations of turbulence in similar plasma regimes. However, at scales shorter than the electron inertial length, fluctuation power in electron kinetic energy significantly exceeded that of the magnetic field, resulting in an electron-motion-regulated cascade at small scales. This dominance is highly relevant for the study of turbulence in highly magnetized laboratory and astrophysical plasmas.

  6. A global data set of soil hydraulic properties and sub-grid variability of soil water retention and hydraulic conductivity curves

    Science.gov (United States)

    Montzka, Carsten; Herbst, Michael; Weihermüller, Lutz; Verhoef, Anne; Vereecken, Harry

    2017-07-01

    Agroecosystem models, regional and global climate models, and numerical weather prediction models require adequate parameterization of soil hydraulic properties. These properties are fundamental for describing and predicting water and energy exchange processes at the transition zone between solid earth and atmosphere, and regulate evapotranspiration, infiltration and runoff generation. Hydraulic parameters describing the soil water retention (WRC) and hydraulic conductivity (HCC) curves are typically derived from soil texture via pedotransfer functions (PTFs). Resampling of those parameters for specific model grids is typically performed by different aggregation approaches such a spatial averaging and the use of dominant textural properties or soil classes. These aggregation approaches introduce uncertainty, bias and parameter inconsistencies throughout spatial scales due to nonlinear relationships between hydraulic parameters and soil texture. Therefore, we present a method to scale hydraulic parameters to individual model grids and provide a global data set that overcomes the mentioned problems. The approach is based on Miller-Miller scaling in the relaxed form by Warrick, that fits the parameters of the WRC through all sub-grid WRCs to provide an effective parameterization for the grid cell at model resolution; at the same time it preserves the information of sub-grid variability of the water retention curve by deriving local scaling parameters. Based on the Mualem-van Genuchten approach we also derive the unsaturated hydraulic conductivity from the water retention functions, thereby assuming that the local parameters are also valid for this function. In addition, via the Warrick scaling parameter λ, information on global sub-grid scaling variance is given that enables modellers to improve dynamical downscaling of (regional) climate models or to perturb hydraulic parameters for model ensemble output generation. The present analysis is based on the ROSETTA PTF

  7. A variational multi-scale method with spectral approximation of the sub-scales: Application to the 1D advection-diffusion equations

    KAUST Repository

    Chacó n Rebollo, Tomá s; Dia, Ben Mansour

    2015-01-01

    This paper introduces a variational multi-scale method where the sub-grid scales are computed by spectral approximations. It is based upon an extension of the spectral theorem to non necessarily self-adjoint elliptic operators that have an associated base of eigenfunctions which are orthonormal in weighted L2 spaces. This allows to element-wise calculate the sub-grid scales by means of the associated spectral expansion. We propose a feasible VMS-spectral method by truncation of this spectral expansion to a finite number of modes. We apply this general framework to the convection-diffusion equation, by analytically computing the family of eigenfunctions. We perform a convergence and error analysis. We also present some numerical tests that show the stability of the method for an odd number of spectral modes, and an improvement of accuracy in the large resolved scales, due to the adding of the sub-grid spectral scales.

  8. A variational multi-scale method with spectral approximation of the sub-scales: Application to the 1D advection-diffusion equations

    KAUST Repository

    Chacón Rebollo, Tomás

    2015-03-01

    This paper introduces a variational multi-scale method where the sub-grid scales are computed by spectral approximations. It is based upon an extension of the spectral theorem to non necessarily self-adjoint elliptic operators that have an associated base of eigenfunctions which are orthonormal in weighted L2 spaces. This allows to element-wise calculate the sub-grid scales by means of the associated spectral expansion. We propose a feasible VMS-spectral method by truncation of this spectral expansion to a finite number of modes. We apply this general framework to the convection-diffusion equation, by analytically computing the family of eigenfunctions. We perform a convergence and error analysis. We also present some numerical tests that show the stability of the method for an odd number of spectral modes, and an improvement of accuracy in the large resolved scales, due to the adding of the sub-grid spectral scales.

  9. Fully kinetic simulations of megajoule-scale dense plasma focus

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, A.; Link, A.; Tang, V.; Halvorson, C.; May, M. [Lawrence Livermore National Laboratory, Livermore California 94550 (United States); Welch, D. [Voss Scientific, LLC, Albuquerque, New Mexico 87108 (United States); Meehan, B. T.; Hagen, E. C. [National Security Technologies, LLC, Las Vegas, Nevada 89030 (United States)

    2014-10-15

    Dense plasma focus (DPF) Z-pinch devices are sources of copious high energy electrons and ions, x-rays, and neutrons. Megajoule-scale DPFs can generate 10{sup 12} neutrons per pulse in deuterium gas through a combination of thermonuclear and beam-target fusion. However, the details of the neutron production are not fully understood and past optimization efforts of these devices have been largely empirical. Previously, we reported on the first fully kinetic simulations of a kilojoule-scale DPF and demonstrated that both kinetic ions and kinetic electrons are needed to reproduce experimentally observed features, such as charged-particle beam formation and anomalous resistivity. Here, we present the first fully kinetic simulation of a MegaJoule DPF, with predicted ion and neutron spectra, neutron anisotropy, neutron spot size, and time history of neutron production. The total yield predicted by the simulation is in agreement with measured values, validating the kinetic model in a second energy regime.

  10. Kinetic Scale Structure of Low-frequency Waves and Fluctuations

    Energy Technology Data Exchange (ETDEWEB)

    López, Rodrigo A.; Yoon, Peter H. [Institute for Physical Science and Technology, University of Maryland, College Park, MD 20742 (United States); Viñas, Adolfo F. [NASA Goddard Space Flight Center, Heliophysics Science Division, Geospace Physics Laboratory, Mail Code 673, Greenbelt, MD 20771 (United States); Araneda, Jaime A., E-mail: rlopezh@umd.edu, E-mail: yoonp@umd.edu [Departamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Concepción, Concepción (Chile)

    2017-08-10

    The dissipation of solar wind turbulence at kinetic scales is believed to be important for the heating of the corona and for accelerating the wind. The linear Vlasov kinetic theory is a useful tool for identifying various wave modes, including kinetic Alfvén, fast magnetosonic/whistler, and ion-acoustic (or kinetic slow), and their possible roles in the dissipation. However, the kinetic mode structure in the vicinity of ion-cyclotron modes is not clearly understood. The present paper aims to further elucidate the structure of these low-frequency waves by introducing discrete particle effects through hybrid simulations and Klimontovich formalism of spontaneous emission theory. The theory and simulation of spontaneously emitted low-frequency fluctuations are employed to identify and distinguish the detailed mode structures associated with ion-Bernstein modes versus quasi-modes. The spontaneous emission theory and simulation also confirm the findings of the Vlasov theory in that the kinetic Alfvén waves can be defined over a wide range of frequencies, including the proton cyclotron frequency and its harmonics, especially for high-beta plasmas. This implies that these low-frequency modes may play predominant roles even in the fully kinetic description of kinetic scale turbulence and dissipation despite the fact that cyclotron harmonic and Bernstein modes may also play important roles in wave–particle interactions.

  11. Vlasov simulations of kinetic Alfvén waves at proton kinetic scales

    Energy Technology Data Exchange (ETDEWEB)

    Vásconez, C. L. [Dipartimento di Fisica, Università della Calabria, I-87036 Cosenza (Italy); Observatorio Astronómico de Quito, Escuela Politécnica Nacional, Quito (Ecuador); Valentini, F.; Veltri, P. [Dipartimento di Fisica, Università della Calabria, I-87036 Cosenza (Italy); Camporeale, E. [Centrum Wiskunde and Informatica, Amsterdam (Netherlands)

    2014-11-15

    Kinetic Alfvén waves represent an important subject in space plasma physics, since they are thought to play a crucial role in the development of the turbulent energy cascade in the solar wind plasma at short wavelengths (of the order of the proton gyro radius ρ{sub p} and/or inertial length d{sub p} and beyond). A full understanding of the physical mechanisms which govern the kinetic plasma dynamics at these scales can provide important clues on the problem of the turbulent dissipation and heating in collisionless systems. In this paper, hybrid Vlasov-Maxwell simulations are employed to analyze in detail the features of the kinetic Alfvén waves at proton kinetic scales, in typical conditions of the solar wind environment (proton plasma beta β{sub p} = 1). In particular, linear and nonlinear regimes of propagation of these fluctuations have been investigated in a single-wave situation, focusing on the physical processes of collisionless Landau damping and wave-particle resonant interaction. Interestingly, since for wavelengths close to d{sub p} and β{sub p} ≃ 1 (for which ρ{sub p} ≃ d{sub p}) the kinetic Alfvén waves have small phase speed compared to the proton thermal velocity, wave-particle interaction processes produce significant deformations in the core of the particle velocity distribution, appearing as phase space vortices and resulting in flat-top velocity profiles. Moreover, as the Eulerian hybrid Vlasov-Maxwell algorithm allows for a clean almost noise-free description of the velocity space, three-dimensional plots of the proton velocity distribution help to emphasize how the plasma departs from the Maxwellian configuration of thermodynamic equilibrium due to nonlinear kinetic effects.

  12. Autonomous Operation of Hybrid Microgrid With AC and DC Subgrids

    DEFF Research Database (Denmark)

    Chiang Loh, Poh; Li, Ding; Kang Chai, Yi

    2013-01-01

    sources distributed throughout the two types of subgrids, which is certainly tougher than previous efforts developed for only ac or dc microgrid. This wider scope of control has not yet been investigated, and would certainly rely on the coordinated operation of dc sources, ac sources, and interlinking...... converters. Suitable control and normalization schemes are now developed for controlling them with the overall hybrid microgrid performance already verified in simulation and experiment.......This paper investigates on power-sharing issues of an autonomous hybrid microgrid. Unlike existing microgrids which are purely ac, the hybrid microgrid studied here comprises dc and ac subgrids interconnected by power electronic interfaces. The main challenge here is to manage power flows among all...

  13. Revisiting the density scaling of the non-interacting kinetic energy.

    Science.gov (United States)

    Borgoo, Alex; Teale, Andrew M; Tozer, David J

    2014-07-28

    Scaling relations play an important role in the understanding and development of approximate functionals in density functional theory. Recently, a number of these relationships have been redefined in terms of the Kohn-Sham orbitals [Calderín, Phys. Rev. A: At., Mol., Opt. Phys., 2013, 86, 032510]. For density scaling the author proposed a procedure involving a multiplicative scaling of the Kohn-Sham orbitals whilst keeping their occupation numbers fixed. In the present work, the differences between this scaling with fixed occupation numbers and that of previous studies, where the particle number change implied by the scaling was accommodated through the use of the grand canonical ensemble, are examined. We introduce the terms orbital and ensemble density scaling for these approaches, respectively. The natural ambiguity of the density scaling of the non-interacting kinetic energy functional is examined and the ancillary definitions implicit in each approach are highlighted and compared. As a consequence of these differences, Calderín recovered a homogeneity of degree 1 for the non-interacting kinetic energy functional under orbital scaling, contrasting recent work by the present authors [J. Chem. Phys., 2012, 136, 034101] where the functional was found to be inhomogeneous under ensemble density scaling. Furthermore, we show that the orbital scaling result follows directly from the linearity and the single-particle nature of the kinetic energy operator. The inhomogeneity of the non-interacting kinetic energy functional under ensemble density scaling can be quantified by defining an effective homogeneity. This quantity is shown to recover the homogeneity values for important approximate forms that are exact for limiting cases such as the uniform electron gas and one-electron systems. We argue that the ensemble density scaling provides more insight into the development of new functional forms.

  14. Bench-scale Kinetics Study of Mercury Reactions in FGD Liquors

    Energy Technology Data Exchange (ETDEWEB)

    Gary Blythe; John Currie; David DeBerry

    2008-03-31

    This document is the final report for Cooperative Agreement DE-FC26-04NT42314, 'Kinetics Study of Mercury Reactions in FGD Liquors'. The project was co-funded by the U.S. DOE National Energy Technology Laboratory and EPRI. The objective of the project has been to determine the mechanisms and kinetics of the aqueous reactions of mercury absorbed by wet flue gas desulfurization (FGD) systems, and develop a kinetics model to predict mercury reactions in wet FGD systems. The model may be used to determine optimum wet FGD design and operating conditions to maximize mercury capture in wet FGD systems. Initially, a series of bench-top, liquid-phase reactor tests were conducted and mercury species concentrations were measured by UV/visible light spectroscopy to determine reactant and byproduct concentrations over time. Other measurement methods, such as atomic absorption, were used to measure concentrations of vapor-phase elemental mercury, that cannot be measured by UV/visible light spectroscopy. Next, a series of bench-scale wet FGD simulation tests were conducted. Because of the significant effects of sulfite concentration on mercury re-emission rates, new methods were developed for operating and controlling the bench-scale FGD experiments. Approximately 140 bench-scale wet FGD tests were conducted and several unusual and pertinent effects of process chemistry on mercury re-emissions were identified and characterized. These data have been used to develop an empirically adjusted, theoretically based kinetics model to predict mercury species reactions in wet FGD systems. The model has been verified in tests conducted with the bench-scale wet FGD system, where both gas-phase and liquid-phase mercury concentrations were measured to determine if the model accurately predicts the tendency for mercury re-emissions. This report presents and discusses results from the initial laboratory kinetics measurements, the bench-scale wet FGD tests, and the kinetics modeling

  15. Permafrost sub-grid heterogeneity of soil properties key for 3-D soil processes and future climate projections

    Directory of Open Access Journals (Sweden)

    Christian Beer

    2016-08-01

    Full Text Available There are massive carbon stocks stored in permafrost-affected soils due to the 3-D soil movement process called cryoturbation. For a reliable projection of the past, recent and future Arctic carbon balance, and hence climate, a reliable concept for representing cryoturbation in a land surface model (LSM is required. The basis of the underlying transport processes is pedon-scale heterogeneity of soil hydrological and thermal properties as well as insulating layers, such as snow and vegetation. Today we still lack a concept of how to reliably represent pedon-scale properties and processes in a LSM. One possibility could be a statistical approach. This perspective paper demonstrates the importance of sub-grid heterogeneity in permafrost soils as a pre-requisite to implement any lateral transport parametrization. Representing such heterogeneity at the sub-pixel size of a LSM is the next logical step of model advancements. As a result of a theoretical experiment, heterogeneity of thermal and hydrological soil properties alone lead to a remarkable initial sub-grid range of subsoil temperature of 2 deg C, and active-layer thickness of 150 cm in East Siberia. These results show the way forward in representing combined lateral and vertical transport of water and soil in LSMs.

  16. Large-Eddy Simulation of Flow and Pollutant Transport in Urban Street Canyons with Ground Heating

    OpenAIRE

    Li, Xian-Xiang; Britter, Rex E.; Koh, Tieh Yong; Norford, Leslie Keith; Liu, Chun-Ho; Entekhabi, Dara; Leung, Dennis Y. C.

    2009-01-01

    Our study employed large-eddy simulation (LES) based on a one-equation subgrid-scale model to investigate the flow field and pollutant dispersion characteristics inside urban street canyons. Unstable thermal stratification was produced by heating the ground of the street canyon. Using the Boussinesq approximation, thermal buoyancy forces were taken into account in both the Navier–Stokes equations and the transport equation for subgrid-scale turbulent kinetic energy (TKE). The LESs were valida...

  17. Variational Multi-Scale method with spectral approximation of the sub-scales.

    KAUST Repository

    Dia, Ben Mansour; Chá con-Rebollo, Tomas

    2015-01-01

    A variational multi-scale method where the sub-grid scales are computed by spectral approximations is presented. It is based upon an extension of the spectral theorem to non necessarily self-adjoint elliptic operators that have an associated base

  18. Electron Heating at Kinetic Scales in Magnetosheath Turbulence

    International Nuclear Information System (INIS)

    Chasapis, Alexandros; Matthaeus, W. H.; Parashar, T. N.; LeContel, O.; Retinò, A.; Breuillard, H.; Khotyaintsev, Y.; Vaivads, A.; Eriksson, E.; Lavraud, B.; Moore, T. E.; Burch, J. L.; Torbert, R. B.; Chutter, M.; Needell, J.; Lindqvist, P.-A.; Marklund, G.; Ergun, R. E.; Goodrich, K. A.; Wilder, F. D.

    2017-01-01

    We present a statistical study of coherent structures at kinetic scales, using data from the Magnetospheric Multiscale mission in the Earth’s magnetosheath. We implemented the multi-spacecraft partial variance of increments (PVI) technique to detect these structures, which are associated with intermittency at kinetic scales. We examine the properties of the electron heating occurring within such structures. We find that, statistically, structures with a high PVI index are regions of significant electron heating. We also focus on one such structure, a current sheet, which shows some signatures consistent with magnetic reconnection. Strong parallel electron heating coincides with whistler emissions at the edges of the current sheet.

  19. Analysis of subgrid scale mixing using a hybrid LES-Monte-Carlo PDF method

    International Nuclear Information System (INIS)

    Olbricht, C.; Hahn, F.; Sadiki, A.; Janicka, J.

    2007-01-01

    This contribution introduces a hybrid LES-Monte-Carlo method for a coupled solution of the flow and the multi-dimensional scalar joint pdf in two complex mixing devices. For this purpose an Eulerian Monte-Carlo method is used. First, a complex mixing device (jet-in-crossflow, JIC) is presented in which the stochastic convergence and the coherency between the scalar field solution obtained via finite-volume methods and that from the stochastic solution of the pdf for the hybrid method are evaluated. Results are compared to experimental data. Secondly, an extensive investigation of the micromixing on the basis of assumed shape and transported SGS-pdfs in a configuration with practical relevance is carried out. This consists of a mixing chamber with two opposite rows of jets penetrating a crossflow (multi-jet-in-crossflow, MJIC). Some numerical results are compared to available experimental data and to RANS based results. It turns out that the hybrid LES-Monte-Carlo method could achieve a detailed analysis of the mixing at the subgrid level

  20. Effect of LES models on the entrainment of a passive scalar in a turbulent planar jet

    Science.gov (United States)

    Chambel Lopes, Diogo; da Silva, Carlos; Reis, Ricardo; Raman, Venkat

    2011-11-01

    Direct and large-eddy simulations (DNS/LES) of turbulent planar jets are used to study the role of subgrid-scale models in the integral characteristics of the passive scalar mixing in a jet. Specifically the effect of subgrid-scale models in the jet spreading rate and centreline passive scalar decay rates are assessed and compared. The modelling of the subgrid-scale fluxes is particularly challenging in the turbulent/nonturbulent (T/NT) region that divides the two regions in the jet flow: the outer region where the flow is irrotational and the inner region where the flow is turbulent. It has been shown that important Reynolds stresses exist near the T/NT interface and that these stresses determine in part the mixing and combustion rates in jets. The subgrid scales of motion near the T/NT interface are far from equilibrium and contain an important fraction of the total kinetic energy. Model constants used in several subgrid-scale models such as the Smagorinsky and the gradient models need to be corrected near the jet edge. The procedure used to obtain the dynamic Smagorinsky constant is not able to cope with the intermittent nature of this region.

  1. Large Eddy simulation of turbulence: A subgrid scale model including shear, vorticity, rotation, and buoyancy

    Science.gov (United States)

    Canuto, V. M.

    1994-01-01

    The Reynolds numbers that characterize geophysical and astrophysical turbulence (Re approximately equals 10(exp 8) for the planetary boundary layer and Re approximately equals 10(exp 14) for the Sun's interior) are too large to allow a direct numerical simulation (DNS) of the fundamental Navier-Stokes and temperature equations. In fact, the spatial number of grid points N approximately Re(exp 9/4) exceeds the computational capability of today's supercomputers. Alternative treatments are the ensemble-time average approach, and/or the volume average approach. Since the first method (Reynolds stress approach) is largely analytical, the resulting turbulence equations entail manageable computational requirements and can thus be linked to a stellar evolutionary code or, in the geophysical case, to general circulation models. In the volume average approach, one carries out a large eddy simulation (LES) which resolves numerically the largest scales, while the unresolved scales must be treated theoretically with a subgrid scale model (SGS). Contrary to the ensemble average approach, the LES+SGS approach has considerable computational requirements. Even if this prevents (for the time being) a LES+SGS model to be linked to stellar or geophysical codes, it is still of the greatest relevance as an 'experimental tool' to be used, inter alia, to improve the parameterizations needed in the ensemble average approach. Such a methodology has been successfully adopted in studies of the convective planetary boundary layer. Experienc e with the LES+SGS approach from different fields has shown that its reliability depends on the healthiness of the SGS model for numerical stability as well as for physical completeness. At present, the most widely used SGS model, the Smagorinsky model, accounts for the effect of the shear induced by the large resolved scales on the unresolved scales but does not account for the effects of buoyancy, anisotropy, rotation, and stable stratification. The

  2. Autonomous Operation of Hybrid Microgrid with AC and DC Sub-Grids

    DEFF Research Database (Denmark)

    Loh, Poh Chiang; Blaabjerg, Frede

    2011-01-01

    the power flow among all the sources distributed throughout the two types of sub-grids, which certainly is tougher than previous efforts developed for only either ac or dc microgrid. This wider scope of control has not yet been investigated, and would certainly rely on the coordinated operation of dc...... sources, ac sources and interlinking converters. Suitable control and normalization schemes are therefore developed for controlling them with results presented for showing the overall performance of the hybrid microgrid.......This paper investigates on the active and reactive power sharing of an autonomous hybrid microgrid. Unlike existing microgrids which are purely ac, the hybrid microgrid studied here comprises dc and ac sub-grids, interconnected by power electronic interfaces. The main challenge here is to manage...

  3. Correction of Excessive Precipitation over Steep and High Mountains in a GCM: A Simple Method of Parameterizing the Thermal Effects of Subgrid Topographic Variation

    Science.gov (United States)

    Chao, Winston C.

    2015-01-01

    The excessive precipitation over steep and high mountains (EPSM) in GCMs and meso-scale models is due to a lack of parameterization of the thermal effects of the subgrid-scale topographic variation. These thermal effects drive subgrid-scale heated slope induced vertical circulations (SHVC). SHVC provide a ventilation effect of removing heat from the boundary layer of resolvable-scale mountain slopes and depositing it higher up. The lack of SHVC parameterization is the cause of EPSM. The author has previously proposed a method of parameterizing SHVC, here termed SHVC.1. Although this has been successful in avoiding EPSM, the drawback of SHVC.1 is that it suppresses convective type precipitation in the regions where it is applied. In this article we propose a new method of parameterizing SHVC, here termed SHVC.2. In SHVC.2 the potential temperature and mixing ratio of the boundary layer are changed when used as input to the cumulus parameterization scheme over mountainous regions. This allows the cumulus parameterization to assume the additional function of SHVC parameterization. SHVC.2 has been tested in NASA Goddard's GEOS-5 GCM. It achieves the primary goal of avoiding EPSM while also avoiding the suppression of convective-type precipitation in regions where it is applied.

  4. Optimal 25-Point Finite-Difference Subgridding Techniques for the 2D Helmholtz Equation

    Directory of Open Access Journals (Sweden)

    Tingting Wu

    2016-01-01

    Full Text Available We present an optimal 25-point finite-difference subgridding scheme for solving the 2D Helmholtz equation with perfectly matched layer (PML. This scheme is second order in accuracy and pointwise consistent with the equation. Subgrids are used to discretize the computational domain, including the interior domain and the PML. For the transitional node in the interior domain, the finite difference equation is formulated with ghost nodes, and its weight parameters are chosen by a refined choice strategy based on minimizing the numerical dispersion. Numerical experiments are given to illustrate that the newly proposed schemes can produce highly accurate seismic modeling results with enhanced efficiency.

  5. A mixed multiscale model better accounting for the cross term of the subgrid-scale stress and for backscatter

    Science.gov (United States)

    Thiry, Olivier; Winckelmans, Grégoire

    2016-02-01

    In the large-eddy simulation (LES) of turbulent flows, models are used to account for the subgrid-scale (SGS) stress. We here consider LES with "truncation filtering only" (i.e., that due to the LES grid), thus without regular explicit filtering added. The SGS stress tensor is then composed of two terms: the cross term that accounts for interactions between resolved scales and unresolved scales, and the Reynolds term that accounts for interactions between unresolved scales. Both terms provide forward- (dissipation) and backward (production, also called backscatter) energy transfer. Purely dissipative, eddy-viscosity type, SGS models are widely used: Smagorinsky-type models, or more advanced multiscale-type models. Dynamic versions have also been developed, where the model coefficient is determined using a dynamic procedure. Being dissipative by nature, those models do not provide backscatter. Even when using the dynamic version with local averaging, one typically uses clipping to forbid negative values of the model coefficient and hence ensure the stability of the simulation; hence removing the backscatter produced by the dynamic procedure. More advanced SGS model are thus desirable, and that better conform to the physics of the true SGS stress, while remaining stable. We here investigate, in decaying homogeneous isotropic turbulence, and using a de-aliased pseudo-spectral method, the behavior of the cross term and of the Reynolds term: in terms of dissipation spectra, and in terms of probability density function (pdf) of dissipation in physical space: positive and negative (backscatter). We then develop a new mixed model that better accounts for the physics of the SGS stress and for the backscatter. It has a cross term part which is built using a scale-similarity argument, further combined with a correction for Galilean invariance using a pseudo-Leonard term: this is the term that also does backscatter. It also has an eddy-viscosity multiscale model part that

  6. Weakening gravity on redshift-survey scales with kinetic matter mixing

    Energy Technology Data Exchange (ETDEWEB)

    D' Amico, Guido [Theoretical Physics Department, CERN, Geneva (Switzerland); Huang, Zhiqi [School of Physics and Astronomy, Sun Yat-Sen University, 135 Xingang Xi Road, 510275, Guangzhou (China); Mancarella, Michele; Vernizzi, Filippo [CEA, IPhT, CNRS, URA-2306, 91191 Gif-sur-Yvette cédex (France)

    2017-02-01

    We explore general scalar-tensor models in the presence of a kinetic mixing between matter and the scalar field, which we call Kinetic Matter Mixing. In the frame where gravity is de-mixed from the scalar this is due to disformal couplings of matter species to the gravitational sector, with disformal coefficients that depend on the gradient of the scalar field. In the frame where matter is minimally coupled, it originates from the so-called beyond Horndeski quadratic Lagrangian. We extend the Effective Theory of Interacting Dark Energy by allowing disformal coupling coefficients to depend on the gradient of the scalar field as well. In this very general approach, we derive the conditions to avoid ghost and gradient instabilities and we define Kinetic Matter Mixing independently of the frame metric used to described the action. We study its phenomenological consequences for a ΛCDM background evolution, first analytically on small scales. Then, we compute the matter power spectrum and the angular spectra of the CMB anisotropies and the CMB lensing potential, on all scales. We employ the public version of COOP, a numerical Einstein-Boltzmann solver that implements very general scalar-tensor modifications of gravity. Rather uniquely, Kinetic Matter Mixing weakens gravity on short scales, predicting a lower σ{sub 8} with respect to the ΛCDM case. We propose this as a possible solution to the tension between the CMB best-fit model and low-redshift observables.

  7. THOR: A New Higher-Order Closure Assumed PDF Subgrid-Scale Parameterization; Evaluation and Application to Low Cloud Feedbacks

    Science.gov (United States)

    Firl, G. J.; Randall, D. A.

    2013-12-01

    The so-called "assumed probability density function (PDF)" approach to subgrid-scale (SGS) parameterization has shown to be a promising method for more accurately representing boundary layer cloudiness under a wide range of conditions. A new parameterization has been developed, named the Two-and-a-Half ORder closure (THOR), that combines this approach with a higher-order turbulence closure. THOR predicts the time evolution of the turbulence kinetic energy components, the variance of ice-liquid water potential temperature (θil) and total non-precipitating water mixing ratio (qt) and the covariance between the two, and the vertical fluxes of horizontal momentum, θil, and qt. Ten corresponding third-order moments in addition to the skewnesses of θil and qt are calculated using diagnostic functions assuming negligible time tendencies. The statistical moments are used to define a trivariate double Gaussian PDF among vertical velocity, θil, and qt. The first three statistical moments of each variable are used to estimate the two Gaussian plume means, variances, and weights. Unlike previous similar models, plume variances are not assumed to be equal or zero. Instead, they are parameterized using the idea that the less dominant Gaussian plume (typically representing the updraft-containing portion of a grid cell) has greater variance than the dominant plume (typically representing the "environmental" or slowly subsiding portion of a grid cell). Correlations among the three variables are calculated using the appropriate covariance moments, and both plume correlations are assumed to be equal. The diagnosed PDF in each grid cell is used to calculate SGS condensation, SGS fluxes of cloud water species, SGS buoyancy terms, and to inform other physical parameterizations about SGS variability. SGS condensation is extended from previous similar models to include condensation over both liquid and ice substrates, dependent on the grid cell temperature. Implementations have been

  8. Wind Farm parametrization in the mesoscale model WRF

    DEFF Research Database (Denmark)

    Volker, Patrick; Badger, Jake; Hahmann, Andrea N.

    2012-01-01

    , but are parametrized as another sub-grid scale process. In order to appropriately capture the wind farm wake recovery and its direction, two properties are important, among others, the total energy extracted by the wind farm and its velocity deficit distribution. In the considered parametrization the individual...... the extracted force is proportional to the turbine area interfacing a grid cell. The sub-grid scale wake expansion is achieved by adding turbulence kinetic energy (proportional to the extracted power) to the flow. The validity of both wind farm parametrizations has been verified against observational data. We...... turbines produce a thrust dependent on the background velocity. For the sub-grid scale velocity deficit, the entrainment from the free atmospheric flow into the wake region, which is responsible for the expansion, is taken into account. Furthermore, since the model horizontal distance is several times...

  9. Subgrid models for mass and thermal diffusion in turbulent mixing

    International Nuclear Information System (INIS)

    Lim, H; Yu, Y; Glimm, J; Li, X-L; Sharp, D H

    2010-01-01

    We propose a new method for the large eddy simulation (LES) of turbulent mixing flows. The method yields convergent probability distribution functions (PDFs) for temperature and concentration and a chemical reaction rate when applied to reshocked Richtmyer-Meshkov (RM) unstable flows. Because such a mesh convergence is an unusual and perhaps original capability for LES of RM flows, we review previous validation studies of the principal components of the algorithm. The components are (i) a front tracking code, FronTier, to control numerical mass diffusion and (ii) dynamic subgrid scale (SGS) models to compensate for unresolved scales in the LES. We also review the relevant code comparison studies. We compare our results to a simple model based on 1D diffusion, taking place in the geometry defined statistically by the interface (the 50% isoconcentration surface between the two fluids). Several conclusions important to physics could be drawn from our study. We model chemical reactions with no closure approximations beyond those in the LES of the fluid variables itself, and as with dynamic SGS models, these closures contain no adjustable parameters. The chemical reaction rate is specified by the joint PDF for temperature and concentration. We observe a bimodal distribution for the PDF and we observe significant dependence on fluid transport parameters.

  10. Subgrid Modeling of AGN-driven Turbulence in Galaxy Clusters

    Science.gov (United States)

    Scannapieco, Evan; Brüggen, Marcus

    2008-10-01

    Hot, underdense bubbles powered by active galactic nuclei (AGNs) are likely to play a key role in halting catastrophic cooling in the centers of cool-core galaxy clusters. We present three-dimensional simulations that capture the evolution of such bubbles, using an adaptive mesh hydrodynamic code, FLASH3, to which we have added a subgrid model of turbulence and mixing. While pure hydro simulations indicate that AGN bubbles are disrupted into resolution-dependent pockets of underdense gas, proper modeling of subgrid turbulence indicates that this is a poor approximation to a turbulent cascade that continues far beyond the resolution limit. Instead, Rayleigh-Taylor instabilities act to effectively mix the heated region with its surroundings, while at the same time preserving it as a coherent structure, consistent with observations. Thus, bubbles are transformed into hot clouds of mixed material as they move outward in the hydrostatic intracluster medium (ICM), much as large airbursts lead to a distinctive "mushroom cloud" structure as they rise in the hydrostatic atmosphere of Earth. Properly capturing the evolution of such clouds has important implications for many ICM properties. In particular, it significantly changes the impact of AGNs on the distribution of entropy and metals in cool-core clusters such as Perseus.

  11. Microsecond time-scale kinetics of transient biochemical reactions

    NARCIS (Netherlands)

    Mitic, S.; Strampraad, M.J.F.; Hagen, W.R.; de Vries, S.

    2017-01-01

    To afford mechanistic studies in enzyme kinetics and protein folding in the microsecond time domain we have developed a continuous-flow microsecond time-scale mixing instrument with an unprecedented dead-time of 3.8 ± 0.3 μs. The instrument employs a micro-mixer with a mixing time of 2.7 μs

  12. Smaller global and regional carbon emissions from gross land use change when considering sub-grid secondary land cohorts in a global dynamic vegetation model

    Science.gov (United States)

    Yue, Chao; Ciais, Philippe; Li, Wei

    2018-02-01

    Several modelling studies reported elevated carbon emissions from historical land use change (ELUC) by including bidirectional transitions on the sub-grid scale (termed gross land use change), dominated by shifting cultivation and other land turnover processes. However, most dynamic global vegetation models (DGVMs) that have implemented gross land use change either do not account for sub-grid secondary lands, or often have only one single secondary land tile over a model grid cell and thus cannot account for various rotation lengths in shifting cultivation and associated secondary forest age dynamics. Therefore, it remains uncertain how realistic the past ELUC estimations are and how estimated ELUC will differ between the two modelling approaches with and without multiple sub-grid secondary land cohorts - in particular secondary forest cohorts. Here we investigated historical ELUC over 1501-2005 by including sub-grid forest age dynamics in a DGVM. We run two simulations, one with no secondary forests (Sageless) and the other with sub-grid secondary forests of six age classes whose demography is driven by historical land use change (Sage). Estimated global ELUC for 1501-2005 is 176 Pg C in Sage compared to 197 Pg C in Sageless. The lower ELUC values in Sage arise mainly from shifting cultivation in the tropics under an assumed constant rotation length of 15 years, being 27 Pg C in Sage in contrast to 46 Pg C in Sageless. Estimated cumulative ELUC values from wood harvest in the Sage simulation (31 Pg C) are however slightly higher than Sageless (27 Pg C) when the model is forced by reconstructed harvested areas because secondary forests targeted in Sage for harvest priority are insufficient to meet the prescribed harvest area, leading to wood harvest being dominated by old primary forests. An alternative approach to quantify wood harvest ELUC, i.e. always harvesting the close-to-mature forests in both Sageless and Sage, yields similar values of 33 Pg C by both

  13. Variational Multi-Scale method with spectral approximation of the sub-scales.

    KAUST Repository

    Dia, Ben Mansour

    2015-01-07

    A variational multi-scale method where the sub-grid scales are computed by spectral approximations is presented. It is based upon an extension of the spectral theorem to non necessarily self-adjoint elliptic operators that have an associated base of eigenfunctions which are orthonormal in weighted L2 spaces. We propose a feasible VMS-spectral method by truncation of this spectral expansion to a nite number of modes.

  14. Sub-Grid Modeling of Electrokinetic Effects in Micro Flows

    Science.gov (United States)

    Chen, C. P.

    2005-01-01

    Advances in micro-fabrication processes have generated tremendous interests in miniaturizing chemical and biomedical analyses into integrated microsystems (Lab-on-Chip devices). To successfully design and operate the micro fluidics system, it is essential to understand the fundamental fluid flow phenomena when channel sizes are shrink to micron or even nano dimensions. One important phenomenon is the electro kinetic effect in micro/nano channels due to the existence of the electrical double layer (EDL) near a solid-liquid interface. Not only EDL is responsible for electro-osmosis pumping when an electric field parallel to the surface is imposed, EDL also causes extra flow resistance (the electro-viscous effect) and flow anomaly (such as early transition from laminar to turbulent flow) observed in pressure-driven microchannel flows. Modeling and simulation of electro-kinetic effects on micro flows poses significant numerical challenge due to the fact that the sizes of the double layer (10 nm up to microns) are very thin compared to channel width (can be up to 100 s of m). Since the typical thickness of the double layer is extremely small compared to the channel width, it would be computationally very costly to capture the velocity profile inside the double layer by placing sufficient number of grid cells in the layer to resolve the velocity changes, especially in complex, 3-d geometries. Existing approaches using "slip" wall velocity and augmented double layer are difficult to use when the flow geometry is complicated, e.g. flow in a T-junction, X-junction, etc. In order to overcome the difficulties arising from those two approaches, we have developed a sub-grid integration method to properly account for the physics of the double layer. The integration approach can be used on simple or complicated flow geometries. Resolution of the double layer is not needed in this approach, and the effects of the double layer can be accounted for at the same time. With this

  15. Multi-scale method for the resolution of the neutronic kinetics equations

    International Nuclear Information System (INIS)

    Chauvet, St.

    2008-10-01

    In this PhD thesis and in order to improve the time/precision ratio of the numerical simulation calculations, we investigate multi-scale techniques for the resolution of the reactor kinetics equations. We choose to focus on the mixed dual diffusion approximation and the quasi-static methods. We introduce a space dependency for the amplitude function which only depends on the time variable in the standard quasi-static context. With this new factorization, we develop two mixed dual problems which can be solved with Cea's solver MINOS. An algorithm is implemented, performing the resolution of these problems defined on different scales (for time and space). We name this approach: the Local Quasi-Static method. We present here this new multi-scale approach and its implementation. The inherent details of amplitude and shape treatments are discussed and justified. Results and performances, compared to MINOS, are studied. They illustrate the improvement on the time/precision ratio for kinetics calculations. Furthermore, we open some new possibilities to parallelize computations with MINOS. For the future, we also introduce some improvement tracks with adaptive scales. (author)

  16. Use of fundamental condensation heat transfer experiments for the development of a sub-grid liquid jet condensation model

    Energy Technology Data Exchange (ETDEWEB)

    Buschman, Francis X., E-mail: Francis.Buschman@unnpp.gov; Aumiller, David L.

    2017-02-15

    Highlights: • Direct contact condensation data on liquid jets up to 1.7 MPa in pure steam and in the presence of noncondensable gas. • Identified a pressure effect on the impact of noncondensables to suppress condensation heat transfer not captured in existing data or correlations. • Pure steam data is used to develop a new correlation for condensation heat transfer on subcooled liquid jets. • Noncondensable data used to develop a modification to the renewal time estimate used in the Young and Bajorek correlation for condensation suppression in the presence of noncondensables. • A jet injection boundary condition, using a sub-grid jet condensation model, is developed for COBRA-IE which provides a more detailed estimate of the condensation rate on the liquid jet and allows the use of jet specific closure relationships. - Abstract: Condensation on liquid jets is an important phenomenon for many different facets of nuclear power plant transients and analyses such as containment spray cooling. An experimental facility constructed at the Pennsylvania State University, the High Pressure Liquid Jet Condensation Heat Transfer facility (HPLJCHT), has been used to perform steady-state condensation heat transfer experiments in which the temperature of the liquid jet is measured at different axial locations allowing the condensation rate to be determined over the jet length. Test data have been obtained in a pure steam environment and with varying concentrations of noncondensable gas. This data extends the available jet condensation data from near atmospheric pressure up to a pressure of 1.7 MPa. An empirical correlation for the liquid side condensation heat transfer coefficient has been developed based on the data obtained in pure steam. The data obtained with noncondensable gas were used to develop a correlation for the renewal time as used in the condensation suppression model developed by Young and Bajorek. This paper describes a new sub-grid liquid jet

  17. Use of fundamental condensation heat transfer experiments for the development of a sub-grid liquid jet condensation model

    International Nuclear Information System (INIS)

    Buschman, Francis X.; Aumiller, David L.

    2017-01-01

    Highlights: • Direct contact condensation data on liquid jets up to 1.7 MPa in pure steam and in the presence of noncondensable gas. • Identified a pressure effect on the impact of noncondensables to suppress condensation heat transfer not captured in existing data or correlations. • Pure steam data is used to develop a new correlation for condensation heat transfer on subcooled liquid jets. • Noncondensable data used to develop a modification to the renewal time estimate used in the Young and Bajorek correlation for condensation suppression in the presence of noncondensables. • A jet injection boundary condition, using a sub-grid jet condensation model, is developed for COBRA-IE which provides a more detailed estimate of the condensation rate on the liquid jet and allows the use of jet specific closure relationships. - Abstract: Condensation on liquid jets is an important phenomenon for many different facets of nuclear power plant transients and analyses such as containment spray cooling. An experimental facility constructed at the Pennsylvania State University, the High Pressure Liquid Jet Condensation Heat Transfer facility (HPLJCHT), has been used to perform steady-state condensation heat transfer experiments in which the temperature of the liquid jet is measured at different axial locations allowing the condensation rate to be determined over the jet length. Test data have been obtained in a pure steam environment and with varying concentrations of noncondensable gas. This data extends the available jet condensation data from near atmospheric pressure up to a pressure of 1.7 MPa. An empirical correlation for the liquid side condensation heat transfer coefficient has been developed based on the data obtained in pure steam. The data obtained with noncondensable gas were used to develop a correlation for the renewal time as used in the condensation suppression model developed by Young and Bajorek. This paper describes a new sub-grid liquid jet

  18. Challenges of Representing Sub-Grid Physics in an Adaptive Mesh Refinement Atmospheric Model

    Science.gov (United States)

    O'Brien, T. A.; Johansen, H.; Johnson, J. N.; Rosa, D.; Benedict, J. J.; Keen, N. D.; Collins, W.; Goodfriend, E.

    2015-12-01

    Some of the greatest potential impacts from future climate change are tied to extreme atmospheric phenomena that are inherently multiscale, including tropical cyclones and atmospheric rivers. Extremes are challenging to simulate in conventional climate models due to existing models' coarse resolutions relative to the native length-scales of these phenomena. Studying the weather systems of interest requires an atmospheric model with sufficient local resolution, and sufficient performance for long-duration climate-change simulations. To this end, we have developed a new global climate code with adaptive spatial and temporal resolution. The dynamics are formulated using a block-structured conservative finite volume approach suitable for moist non-hydrostatic atmospheric dynamics. By using both space- and time-adaptive mesh refinement, the solver focuses computational resources only where greater accuracy is needed to resolve critical phenomena. We explore different methods for parameterizing sub-grid physics, such as microphysics, macrophysics, turbulence, and radiative transfer. In particular, we contrast the simplified physics representation of Reed and Jablonowski (2012) with the more complex physics representation used in the System for Atmospheric Modeling of Khairoutdinov and Randall (2003). We also explore the use of a novel macrophysics parameterization that is designed to be explicitly scale-aware.

  19. GROWTH KINETIC STUDY OF CHLORELLA VULGARIS USING LAB-SCALE AND PILOT-SCALE PHOTOBIOREACTOR: EFFECT OF CO2 CONCENTRATION

    Directory of Open Access Journals (Sweden)

    MAN KEE LAM

    2016-07-01

    Full Text Available In the present study, growth kinetic of Chlorella vulgaris was performed when the microalgae was cultivated with different concentrations of CO2 . The experiments were carried out using lab-scale and pilot-scale photobioreactors, and the growth results were analyzed using POLYMATH 6.0 with different growth kinetic models. The growth of the microalgae was found fitted well to the Richards growth model with attainable high R2 values as demonstrated in all studied cases, in concert with low values of root mean squares deviation (RMSD and variance. In addition, the output from the plots of experimental values versus predicted values and residual plots further confirmed the good fit of Richards model. The predicted specific growth rate from Richards model was similar to the experimental specific growth rate with deviation lesser than 5%. The attained results paved a preliminary prediction of microalgae growth characteristic when the cultivation is scaled-up to commercial scale.

  20. Multi-Spacecraft Study of Kinetic scale Turbulence Using MMS Observations in the Solar Wind

    Science.gov (United States)

    Chasapis, A.; Matthaeus, W. H.; Parashar, T.; Fuselier, S. A.; Maruca, B.; Burch, J.; Moore, T. E.; Phan, T.; Pollock, C. J.; Gershman, D. J.; Torbert, R. B.; Russell, C. T.; Strangeway, R. J.

    2017-12-01

    We present a study investigating kinetic scale turbulence in the solar wind. Most previous studies relied on single spacecraft measurements, employing the Taylor hypothesis in order to probe different scales. The small separation of MMS spacecraft, well below the ion inertial scale, allow us for the first time to directly probe turbulent fluctuations at the kinetic range. Using multi-spacecraft measurements, we are able to measure the spatial characteristics of turbulent fluctuations and compare with the traditional Taylor-based single spacecraft approach. Meanwhile, combining observations from Cluster and MMS data we were able to cover a wide range of scales from the inertial range where the turbulent cascade takes place, down to the kinetic range where the energy is eventually dissipated. These observations present an important step in understanding the nature of solar wind turbulence and the processes through which turbulent energy is dissipated into particle heating and acceleration. We compute statistical quantities such as the second order structure function and the scale-dependent kurtosis, along with their dependence on the parameters such as the mean magnetic field direction. Overall, we observe an overall agreement between the single spacecraft and the multi-spacecraft approach. However, a small but significant deviation is observed at the smaller scales near the electron inertial scale. The high values of the scale dependent kurtosis at very small scales, observed via two-point measurements, open up a compelling avenue of investigation for theory and numerical modelling.

  1. Systematic construction of kinetic models from genome-scale metabolic networks.

    Directory of Open Access Journals (Sweden)

    Natalie J Stanford

    Full Text Available The quantitative effects of environmental and genetic perturbations on metabolism can be studied in silico using kinetic models. We present a strategy for large-scale model construction based on a logical layering of data such as reaction fluxes, metabolite concentrations, and kinetic constants. The resulting models contain realistic standard rate laws and plausible parameters, adhere to the laws of thermodynamics, and reproduce a predefined steady state. These features have not been simultaneously achieved by previous workflows. We demonstrate the advantages and limitations of the workflow by translating the yeast consensus metabolic network into a kinetic model. Despite crudely selected data, the model shows realistic control behaviour, a stable dynamic, and realistic response to perturbations in extracellular glucose concentrations. The paper concludes by outlining how new data can continuously be fed into the workflow and how iterative model building can assist in directing experiments.

  2. Systematic Construction of Kinetic Models from Genome-Scale Metabolic Networks

    Science.gov (United States)

    Smallbone, Kieran; Klipp, Edda; Mendes, Pedro; Liebermeister, Wolfram

    2013-01-01

    The quantitative effects of environmental and genetic perturbations on metabolism can be studied in silico using kinetic models. We present a strategy for large-scale model construction based on a logical layering of data such as reaction fluxes, metabolite concentrations, and kinetic constants. The resulting models contain realistic standard rate laws and plausible parameters, adhere to the laws of thermodynamics, and reproduce a predefined steady state. These features have not been simultaneously achieved by previous workflows. We demonstrate the advantages and limitations of the workflow by translating the yeast consensus metabolic network into a kinetic model. Despite crudely selected data, the model shows realistic control behaviour, a stable dynamic, and realistic response to perturbations in extracellular glucose concentrations. The paper concludes by outlining how new data can continuously be fed into the workflow and how iterative model building can assist in directing experiments. PMID:24324546

  3. High-resolution Statistics of Solar Wind Turbulence at Kinetic Scales Using the Magnetospheric Multiscale Mission

    Energy Technology Data Exchange (ETDEWEB)

    Chasapis, Alexandros; Matthaeus, W. H.; Parashar, T. N.; Maruca, B. A. [University of Delaware, Newark, DE (United States); Fuselier, S. A.; Burch, J. L. [Southwest Research Institute, San Antonio, TX (United States); Phan, T. D. [Space Sciences Laboratory, University of California, Berkeley, CA (United States); Moore, T. E.; Pollock, C. J.; Gershman, D. J. [NASA Goddard Space Flight Center, Greenbelt, MD (United States); Torbert, R. B. [University of New Hampshire, Durham, NH (United States); Russell, C. T.; Strangeway, R. J., E-mail: chasapis@udel.edu [University of California, Los Angeles, CA (United States)

    2017-07-20

    Using data from the Magnetospheric Multiscale (MMS) and Cluster missions obtained in the solar wind, we examine second-order and fourth-order structure functions at varying spatial lags normalized to ion inertial scales. The analysis includes direct two-spacecraft results and single-spacecraft results employing the familiar Taylor frozen-in flow approximation. Several familiar statistical results, including the spectral distribution of energy, and the sale-dependent kurtosis, are extended down to unprecedented spatial scales of ∼6 km, approaching electron scales. The Taylor approximation is also confirmed at those small scales, although small deviations are present in the kinetic range. The kurtosis is seen to attain very high values at sub-proton scales, supporting the previously reported suggestion that monofractal behavior may be due to high-frequency plasma waves at kinetic scales.

  4. Weakening Gravity on Redshift-Survey Scales with Kinetic Matter Mixing

    CERN Document Server

    D'Amico, Guido; Mancarella, Michele; Vernizzi, Filippo

    2017-01-01

    We explore general scalar-tensor models in the presence of a kinetic mixing between matter and the scalar field, which we call Kinetic Matter Mixing. In the frame where gravity is de-mixed from the scalar this is due to disformal couplings of matter species to the gravitational sector, with disformal coefficients that depend on the gradient of the scalar field. In the frame where matter is minimally coupled, it originates from the so-called beyond Horndeski quadratic Lagrangian. We extend the Effective Theory of Interacting Dark Energy by allowing disformal coupling coefficients to depend on the gradient of the scalar field as well. In this very general approach, we derive the conditions to avoid ghost and gradient instabilities and we define Kinetic Matter Mixing independently of the frame metric used to described the action. We study its phenomenological consequences for a $\\Lambda$CDM background evolution, first analytically on small scales. Then, we compute the matter power spectrum and the angular spectr...

  5. Kinetic-Scale Magnetic Turbulence and Finite Larmor Radius Effects at Mercury

    Science.gov (United States)

    Uritsky, V. M.; Slavin, J. A.; Khazanov, G. V.; Donovan, E. F.; Boardsen, S. A.; Anderson, B. J.; Korth, H.

    2011-01-01

    We use a nonstationary generalization of the higher-order structure function technique to investigate statistical properties of the magnetic field fluctuations recorded by MESSENGER spacecraft during its first flyby (01/14/2008) through the near-Mercury space environment, with the emphasis on key boundary regions participating in the solar wind - magnetosphere interaction. Our analysis shows, for the first time, that kinetic-scale fluctuations play a significant role in the Mercury's magnetosphere up to the largest resolvable timescale (approx.20 s) imposed by the signal nonstationariry, suggesting that turbulence at this plane I is largely controlled by finite Larmor radius effects. In particular, we report the presence of a highly turbulent and extended foreshock system filled with packets of ULF oscillations, broad-band intermittent fluctuations in the magnetosheath, ion-kinetic turbulence in the central plasma sheet of Mercury's magnetotail, and kinetic-scale fluctuations in the inner current sheet encountered at the outbound (dawn-side) magnetopause. Overall, our measurements indicate that the Hermean magnetosphere, as well as the surrounding region, are strongly affected by non-MHD effects introduced by finite sizes of cyclotron orbits of the constituting ion species. Physical mechanisms of these effects and their potentially critical impact on the structure and dynamics of Mercury's magnetic field remain to be understood.

  6. Multi-scale modelling and numerical simulation of electronic kinetic transport

    International Nuclear Information System (INIS)

    Duclous, R.

    2009-11-01

    This research thesis which is at the interface between numerical analysis, plasma physics and applied mathematics, deals with the kinetic modelling and numerical simulations of the electron energy transport and deposition in laser-produced plasmas, having in view the processes of fuel assembly to temperature and density conditions necessary to ignite fusion reactions. After a brief review of the processes at play in the collisional kinetic theory of plasmas, with a focus on basic models and methods to implement, couple and validate them, the author focuses on the collective aspect related to the free-streaming electron transport equation in the non-relativistic limit as well as in the relativistic regime. He discusses the numerical development and analysis of the scheme for the Vlasov-Maxwell system, and the selection of a validation procedure and numerical tests. Then, he investigates more specific aspects of the collective transport: the multi-specie transport, submitted to phase-space discontinuities. Dealing with the multi-scale physics of electron transport with collision source terms, he validates the accuracy of a fast Monte Carlo multi-grid solver for the Fokker-Planck-Landau electron-electron collision operator. He reports realistic simulations for the kinetic electron transport in the frame of the shock ignition scheme, the development and validation of a reduced electron transport angular model. He finally explores the relative importance of the processes involving electron-electron collisions at high energy by means a multi-scale reduced model with relativistic Boltzmann terms

  7. In Situ Observation of Intermittent Dissipation at Kinetic Scales in the Earth's Magnetosheath

    Science.gov (United States)

    Chasapis, Alexandros; Matthaeus, W. H.; Parashar, T. N.; Wan, M.; Haggerty, C. C.; Pollock, C. J.; Giles, B. L.; Paterson, W. R.; Dorelli, J.; Gershman, D. J.; Torbert, R. B.; Russell, C. T.; Lindqvist, P.-A.; Khotyaintsev, Y.; Moore, T. E.; Ergun, R. E.; Burch, J. L.

    2018-03-01

    We present a study of signatures of energy dissipation at kinetic scales in plasma turbulence based on observations by the Magnetospheric Multiscale mission (MMS) in the Earth’s magnetosheath. Using several intervals, and taking advantage of the high-resolution instrumentation on board MMS, we compute and discuss several statistical measures of coherent structures and heating associated with electrons, at previously unattainable scales in space and time. We use the multi-spacecraft Partial Variance of Increments (PVI) technique to study the intermittent structure of the magnetic field. Furthermore, we examine a measure of dissipation and its behavior with respect to the PVI as well as the current density. Additionally, we analyze the evolution of the anisotropic electron temperature and non-Maxwellian features of the particle distribution function. From these diagnostics emerges strong statistical evidence that electrons are preferentially heated in subproton-scale regions of strong electric current density, and this heating is preferentially in the parallel direction relative to the local magnetic field. Accordingly, the conversion of magnetic energy into electron kinetic energy occurs more strongly in regions of stronger current density, a finding consistent with several kinetic plasma simulation studies and hinted at by prior studies using lower resolution Cluster observations.

  8. Large eddy simulation study of turbulent kinetic energy and scalar variance budgets and turbulent/non-turbulent interface in planar jets

    Science.gov (United States)

    Watanabe, Tomoaki; Sakai, Yasuhiko; Nagata, Koji; Ito, Yasumasa

    2016-04-01

    Spatially developing planar jets with passive scalar transports are simulated for various Reynolds (Re = 2200, 7000, and 22 000) and Schmidt numbers (Sc = 1, 4, 16, 64, and 128) by the implicit large eddy simulation (ILES) using low-pass filtering as an implicit subgrid-scale model. The budgets of resolved turbulent kinetic energy k and scalar variance are explicitly evaluated from the ILES data except for the dissipation terms, which are obtained from the balance in the transport equations. The budgets of k and in the ILES agree well with the DNS and experiments for both high and low Re cases. The streamwise decay of the mean turbulent kinetic energy dissipation rate obeys the power low obtained by the scaling argument. The mechanical-to-scalar timescale ratio C ϕ is evaluated in the self-similar region. For the high Re case, C ϕ is close to the isotropic value (C ϕ = 2) near the jet centerline. However, when Re is not large, C ϕ is smaller than 2 and depends on the Schmidt number. The T/NT interface is also investigated by using the scalar isosurface. The velocity and scalar fields near the interface depend on the interface orientation for all Re. The velocity toward the interface is observed near the interface facing in the streamwise, cross-streamwise, and spanwise directions in the planar jet in the resolved velocity field.

  9. An new MHD/kinetic model for exploring energetic particle production in macro-scale systems

    Science.gov (United States)

    Drake, J. F.; Swisdak, M.; Dahlin, J. T.

    2017-12-01

    A novel MHD/kinetic model is being developed to explore magneticreconnection and particle energization in macro-scale systems such asthe solar corona and the outer heliosphere. The model blends the MHDdescription with a macro-particle description. The rationale for thismodel is based on the recent discovery that energetic particleproduction during magnetic reconnection is controlled by Fermireflection and Betatron acceleration and not parallel electricfields. Since the former mechanisms are not dependent on kineticscales such as the Debye length and the electron and ion inertialscales, a model that sheds these scales is sufficient for describingparticle acceleration in macro-systems. Our MHD/kinetic model includesmacroparticles laid out on an MHD grid that are evolved with the MHDfields. Crucially, the feedback of the energetic component on the MHDfluid is included in the dynamics. Thus, energy of the total system,the MHD fluid plus the energetic component, is conserved. The systemhas no kinetic scales and therefore can be implemented to modelenergetic particle production in macro-systems with none of theconstraints associated with a PIC model. Tests of the new model insimple geometries will be presented and potential applications will bediscussed.

  10. Active mechanics in living oocytes reveal molecular-scale force kinetics

    Science.gov (United States)

    Ahmed, Wylie; Fodor, Etienne; Almonacid, Maria; Bussonnier, Matthias; Verlhac, Marie-Helene; Gov, Nir; Visco, Paolo; van Wijland, Frederic; Betz, Timo

    Unlike traditional materials, living cells actively generate forces at the molecular scale that change their structure and mechanical properties. This nonequilibrium activity is essential for cellular function, and drives processes such as cell division. Single molecule studies have uncovered the detailed force kinetics of isolated motor proteins in-vitro, however their behavior in-vivo has been elusive due to the complex environment inside the cell. Here, we quantify active forces and intracellular mechanics in living oocytes using in-vivo optical trapping and laser interferometry of endogenous vesicles. We integrate an experimental and theoretical framework to connect mesoscopic measurements of nonequilibrium properties to the underlying molecular- scale force kinetics. Our results show that force generation by myosin-V drives the cytoplasmic-skeleton out-of-equilibrium (at frequencies below 300 Hz) and actively softens the environment. In vivo myosin-V activity generates a force of F ~ 0 . 4 pN, with a power-stroke of length Δx ~ 20 nm and duration τ ~ 300 μs, that drives vesicle motion at vv ~ 320 nm/s. This framework is widely applicable to characterize living cells and other soft active materials.

  11. Resolving terrestrial ecosystem processes along a subgrid topographic gradient for an earth-system model

    Science.gov (United States)

    Subin, Z M; Milly, Paul C.D.; Sulman, B N; Malyshev, Sergey; Shevliakova, E

    2014-01-01

    Soil moisture is a crucial control on surface water and energy fluxes, vegetation, and soil carbon cycling. Earth-system models (ESMs) generally represent an areal-average soil-moisture state in gridcells at scales of 50–200 km and as a result are not able to capture the nonlinear effects of topographically-controlled subgrid heterogeneity in soil moisture, in particular where wetlands are present. We addressed this deficiency by building a subgrid representation of hillslope-scale topographic gradients, TiHy (Tiled-hillslope Hydrology), into the Geophysical Fluid Dynamics Laboratory (GFDL) land model (LM3). LM3-TiHy models one or more representative hillslope geometries for each gridcell by discretizing them into land model tiles hydrologically coupled along an upland-to-lowland gradient. Each tile has its own surface fluxes, vegetation, and vertically-resolved state variables for soil physics and biogeochemistry. LM3-TiHy simulates a gradient in soil moisture and water-table depth between uplands and lowlands in each gridcell. Three hillslope hydrological regimes appear in non-permafrost regions in the model: wet and poorly-drained, wet and well-drained, and dry; with large, small, and zero wetland area predicted, respectively. Compared to the untiled LM3 in stand-alone experiments, LM3-TiHy simulates similar surface energy and water fluxes in the gridcell-mean. However, in marginally wet regions around the globe, LM3-TiHy simulates shallow groundwater in lowlands, leading to higher evapotranspiration, lower surface temperature, and higher leaf area compared to uplands in the same gridcells. Moreover, more than four-fold larger soil carbon concentrations are simulated globally in lowlands as compared with uplands. We compared water-table depths to those simulated by a recent global model-observational synthesis, and we compared wetland and inundated areas diagnosed from the model to observational datasets. The comparisons demonstrate that LM3-TiHy has the

  12. Entropy Production of Emerging Turbulent Scales in a Temporal Supercritical N-Neptane/Nitrogen Three-Dimensional Mixing Layer

    Science.gov (United States)

    Bellan, J.; Okongo, N.

    2000-01-01

    A study of emerging turbulent scales entropy production is conducted for a supercritical shear layer as a precursor to the eventual modeling of Subgrid Scales (from a turbulent state) leading to Large Eddy Simulations.

  13. Sub-grid scale representation of vegetation in global land surface schemes: implications for estimation of the terrestrial carbon sink

    Directory of Open Access Journals (Sweden)

    J. R. Melton

    2014-02-01

    Full Text Available Terrestrial ecosystem models commonly represent vegetation in terms of plant functional types (PFTs and use their vegetation attributes in calculations of the energy and water balance as well as to investigate the terrestrial carbon cycle. Sub-grid scale variability of PFTs in these models is represented using different approaches with the "composite" and "mosaic" approaches being the two end-members. The impact of these two approaches on the global carbon balance has been investigated with the Canadian Terrestrial Ecosystem Model (CTEM v 1.2 coupled to the Canadian Land Surface Scheme (CLASS v 3.6. In the composite (single-tile approach, the vegetation attributes of different PFTs present in a grid cell are aggregated and used in calculations to determine the resulting physical environmental conditions (soil moisture, soil temperature, etc. that are common to all PFTs. In the mosaic (multi-tile approach, energy and water balance calculations are performed separately for each PFT tile and each tile's physical land surface environmental conditions evolve independently. Pre-industrial equilibrium CLASS-CTEM simulations yield global totals of vegetation biomass, net primary productivity, and soil carbon that compare reasonably well with observation-based estimates and differ by less than 5% between the mosaic and composite configurations. However, on a regional scale the two approaches can differ by > 30%, especially in areas with high heterogeneity in land cover. Simulations over the historical period (1959–2005 show different responses to evolving climate and carbon dioxide concentrations from the two approaches. The cumulative global terrestrial carbon sink estimated over the 1959–2005 period (excluding land use change (LUC effects differs by around 5% between the two approaches (96.3 and 101.3 Pg, for the mosaic and composite approaches, respectively and compares well with the observation-based estimate of 82.2 ± 35 Pg C over the same

  14. Log-Normal Turbulence Dissipation in Global Ocean Models

    Science.gov (United States)

    Pearson, Brodie; Fox-Kemper, Baylor

    2018-03-01

    Data from turbulent numerical simulations of the global ocean demonstrate that the dissipation of kinetic energy obeys a nearly log-normal distribution even at large horizontal scales O (10 km ) . As the horizontal scales of resolved turbulence are larger than the ocean is deep, the Kolmogorov-Yaglom theory for intermittency in 3D homogeneous, isotropic turbulence cannot apply; instead, the down-scale potential enstrophy cascade of quasigeostrophic turbulence should. Yet, energy dissipation obeys approximate log-normality—robustly across depths, seasons, regions, and subgrid schemes. The distribution parameters, skewness and kurtosis, show small systematic departures from log-normality with depth and subgrid friction schemes. Log-normality suggests that a few high-dissipation locations dominate the integrated energy and enstrophy budgets, which should be taken into account when making inferences from simplified models and inferring global energy budgets from sparse observations.

  15. Extracellular enzyme kinetics scale with resource availability

    Science.gov (United States)

    Sinsabaugh, Robert L.; Belnap, Jayne; Findlay, Stuart G.; Follstad Shah, Jennifer J.; Hill, Brian H.; Kuehn, Kevin A.; Kuske, Cheryl; Litvak, Marcy E.; Martinez, Noelle G.; Moorhead, Daryl L.; Warnock, Daniel D.

    2014-01-01

    Microbial community metabolism relies on external digestion, mediated by extracellular enzymes that break down complex organic matter into molecules small enough for cells to assimilate. We analyzed the kinetics of 40 extracellular enzymes that mediate the degradation and assimilation of carbon, nitrogen and phosphorus by diverse aquatic and terrestrial microbial communities (1160 cases). Regression analyses were conducted by habitat (aquatic and terrestrial), enzyme class (hydrolases and oxidoreductases) and assay methodology (low affinity and high affinity substrates) to relate potential reaction rates to substrate availability. Across enzyme classes and habitats, the scaling relationships between apparent Vmax and apparent Km followed similar power laws with exponents of 0.44 to 0.67. These exponents, called elasticities, were not statistically distinct from a central value of 0.50, which occurs when the Km of an enzyme equals substrate concentration, a condition optimal for maintenance of steady state. We also conducted an ecosystem scale analysis of ten extracellular hydrolase activities in relation to soil and sediment organic carbon (2,000–5,000 cases/enzyme) that yielded elasticities near 1.0 (0.9 ± 0.2, n = 36). At the metabolomic scale, the elasticity of extracellular enzymatic reactions is the proportionality constant that connects the C:N:P stoichiometries of organic matter and ecoenzymatic activities. At the ecosystem scale, the elasticity of extracellular enzymatic reactions shows that organic matter ultimately limits effective enzyme binding sites. Our findings suggest that one mechanism by which microbial communities maintain homeostasis is regulating extracellular enzyme expression to optimize the short-term responsiveness of substrate acquisition. The analyses also show that, like elemental stoichiometry, the fundamental attributes of enzymatic reactions can be extrapolated from biochemical to community and ecosystem scales.

  16. Evaluation of an ARPS-based canopy flow modeling system for use in future operational smoke prediction efforts

    Science.gov (United States)

    M. T. Kiefer; S. Zhong; W. E. Heilman; J. J. Charney; X. Bian

    2013-01-01

    Efforts to develop a canopy flow modeling system based on the Advanced Regional Prediction System (ARPS) model are discussed. The standard version of ARPS is modified to account for the effect of drag forces on mean and turbulent flow through a vegetation canopy, via production and sink terms in the momentum and subgrid-scale turbulent kinetic energy (TKE) equations....

  17. Sensitivity of the scale partition for variational multiscale large-eddy simulation of channel flow

    NARCIS (Netherlands)

    Holmen, J.; Hughes, T.J.R.; Oberai, A.A.; Wells, G.N.

    2004-01-01

    The variational multiscale method has been shown to perform well for large-eddy simulation (LES) of turbulent flows. The method relies upon a partition of the resolved velocity field into large- and small-scale components. The subgrid model then acts only on the small scales of motion, unlike

  18. Introducing Subrid-scale Cloud Feedbacks to Radiation for Regional Meteorological and Cllimate Modeling

    Science.gov (United States)

    Convection systems and associated cloudiness directly influence regional and local radiation budgets, and dynamics and thermodynamics through feedbacks. However, most subgrid-scale convective parameterizations in regional weather and climate models do not consider cumulus cloud ...

  19. Coarse grid simulation of bed expansion characteristics of industrial-scale gas–solid bubbling fluidized beds

    NARCIS (Netherlands)

    Wang, J.; van der Hoef, Martin Anton; Kuipers, J.A.M.

    2010-01-01

    Two-fluid modeling of the hydrodynamics of industrial-scale gas-fluidized beds proves a long-standing challenge for both engineers and scientists. In this study, we suggest a simple method to modify currently available drag correlations to allow for the effect of unresolved sub-grid scale

  20. Physical time scale in kinetic Monte Carlo simulations of continuous-time Markov chains.

    Science.gov (United States)

    Serebrinsky, Santiago A

    2011-03-01

    We rigorously establish a physical time scale for a general class of kinetic Monte Carlo algorithms for the simulation of continuous-time Markov chains. This class of algorithms encompasses rejection-free (or BKL) and rejection (or "standard") algorithms. For rejection algorithms, it was formerly considered that the availability of a physical time scale (instead of Monte Carlo steps) was empirical, at best. Use of Monte Carlo steps as a time unit now becomes completely unnecessary.

  1. Land use/land cover and scale influences on in-stream nitrogen uptake kinetics

    Science.gov (United States)

    Covino, Tim; McGlynn, Brian; McNamara, Rebecca

    2012-06-01

    Land use/land cover change often leads to increased nutrient loading to streams; however, its influence on stream ecosystem nutrient transport remains poorly understood. Given the deleterious impacts elevated nutrient loading can have on aquatic ecosystems, it is imperative to improve understanding of nutrient retention capacities across stream scales and watershed development gradients. We performed 17 nutrient addition experiments on six streams across the West Fork Gallatin Watershed, Montana, USA, to quantify nitrogen uptake kinetics and retention dynamics across stream sizes (first to fourth order) and along a watershed development gradient. We observed that stream nitrogen (N) uptake kinetics and spiraling parameters varied across streams of different development intensity and scale. In more developed watersheds we observed a fertilization affect. This fertilization affect was evident as increased ash-free dry mass, chlorophylla, and ambient and maximum uptake rates in developed as compared to undeveloped streams. Ash-free dry mass, chlorophylla, and the number of structures in a subwatershed were significantly correlated to nutrient spiraling and kinetic parameters, while ambient and average annual N concentrations were not. Additionally, increased maximum uptake capacities in developed streams contributed to low in-stream nutrient concentrations during the growing season, and helped maintain watershed export at low levels during base flow. Our results indicate that land use/land cover change can enhance in-stream uptake of limiting nutrients and highlight the need for improved understanding of the watershed dynamics that control nutrient export across scales and development intensities for mitigation and protection of aquatic ecosystems.

  2. Large scale structures in the kinetic gravity braiding model that can be unbraided

    International Nuclear Information System (INIS)

    Kimura, Rampei; Yamamoto, Kazuhiro

    2011-01-01

    We study cosmological consequences of a kinetic gravity braiding model, which is proposed as an alternative to the dark energy model. The kinetic braiding model we study is characterized by a parameter n, which corresponds to the original galileon cosmological model for n = 1. We find that the background expansion of the universe of the kinetic braiding model is the same as the Dvali-Turner's model, which reduces to that of the standard cold dark matter model with a cosmological constant (ΛCDM model) for n equal to infinity. We also find that the evolution of the linear cosmological perturbation in the kinetic braiding model reduces to that of the ΛCDM model for n = ∞. Then, we focus our study on the growth history of the linear density perturbation as well as the spherical collapse in the nonlinear regime of the density perturbations, which might be important in order to distinguish between the kinetic braiding model and the ΛCDM model when n is finite. The theoretical prediction for the large scale structure is confronted with the multipole power spectrum of the luminous red galaxy sample of the Sloan Digital Sky survey. We also discuss future prospects of constraining the kinetic braiding model using a future redshift survey like the WFMOS/SuMIRe PFS survey as well as the cluster redshift distribution in the South Pole Telescope survey

  3. Toward a Multi-scale Phase Transition Kinetics Methodology: From Non-Equilibrium Statistical Mechanics to Hydrodynamics

    Science.gov (United States)

    Belof, Jonathan; Orlikowski, Daniel; Wu, Christine; McLaughlin, Keith

    2013-06-01

    Shock and ramp compression experiments are allowing us to probe condensed matter under extreme conditions where phase transitions and other non-equilibrium aspects can now be directly observed, but first principles simulation of kinetics remains a challenge. A multi-scale approach is presented here, with non-equilibrium statistical mechanical quantities calculated by molecular dynamics (MD) and then leveraged to inform a classical nucleation and growth kinetics model at the hydrodynamic scale. Of central interest is the free energy barrier for the formation of a critical nucleus, with direct NEMD presenting the challenge of relatively long timescales necessary to resolve nucleation. Rather than attempt to resolve the time-dependent nucleation sequence directly, the methodology derived here is built upon the non-equilibrium work theorem in order to bias the formation of a critical nucleus and thus construct the nucleation and growth rates. Having determined these kinetic terms from MD, a hydrodynamics implementation of Kolmogorov-Johnson-Mehl-Avrami (KJMA) kinetics and metastabilty is applied to the dynamic compressive freezing of water and compared with recent ramp compression experiments [Dolan et al., Nature (2007)] Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the U.S. Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344.

  4. Receptivity to Kinetic Fluctuations: A Multiple Scales Approach

    Science.gov (United States)

    Edwards, Luke; Tumin, Anatoli

    2017-11-01

    The receptivity of high-speed compressible boundary layers to kinetic fluctuations (KF) is considered within the framework of fluctuating hydrodynamics. The formulation is based on the idea that KF-induced dissipative fluxes may lead to the generation of unstable modes in the boundary layer. Fedorov and Tumin solved the receptivity problem using an asymptotic matching approach which utilized a resonant inner solution in the vicinity of the generation point of the second Mack mode. Here we take a slightly more general approach based on a multiple scales WKB ansatz which requires fewer assumptions about the behavior of the stability spectrum. The approach is modeled after the one taken by Luchini to study low speed incompressible boundary layers over a swept wing. The new framework is used to study examples of high-enthalpy, flat plate boundary layers whose spectra exhibit nuanced behavior near the generation point, such as first mode instabilities and near-neutral evolution over moderate length scales. The configurations considered exhibit supersonic unstable second Mack modes despite the temperature ratio Tw /Te > 1 , contrary to prior expectations. Supported by AFOSR and ONR.

  5. The effects of spatial heterogeneity and subsurface lateral transfer on evapotranspiration estimates in large scale Earth system models

    Science.gov (United States)

    Rouholahnejad, E.; Fan, Y.; Kirchner, J. W.; Miralles, D. G.

    2017-12-01

    Most Earth system models (ESM) average over considerable sub-grid heterogeneity in land surface properties, and overlook subsurface lateral flow. This could potentially bias evapotranspiration (ET) estimates and has implications for future temperature predictions, since overestimations in ET imply greater latent heat fluxes and potential underestimation of dry and warm conditions in the context of climate change. Here we quantify the bias in evaporation estimates that may arise from the fact that ESMs average over considerable heterogeneity in surface properties, and also neglect lateral transfer of water across the heterogeneous landscapes at global scale. We use a Budyko framework to express ET as a function of P and PET to derive simple sub-grid closure relations that quantify how spatial heterogeneity and lateral transfer could affect average ET as seen from the atmosphere. We show that averaging over sub-grid heterogeneity in P and PET, as typical Earth system models do, leads to overestimation of average ET. Our analysis at global scale shows that the effects of sub-grid heterogeneity will be most pronounced in steep mountainous areas where the topographic gradient is high and where P is inversely correlated with PET across the landscape. In addition, we use the Total Water Storage (TWS) anomaly estimates from the Gravity Recovery and Climate Experiment (GRACE) remote sensing product and assimilate it into the Global Land Evaporation Amsterdam Model (GLEAM) to correct for existing free drainage lower boundary condition in GLEAM and quantify whether, and how much, accounting for changes in terrestrial storage can improve the simulation of soil moisture and regional ET fluxes at global scale.

  6. Analysis of isotropic turbulence using a public database and the Web service model, and applications to study subgrid models

    Science.gov (United States)

    Meneveau, Charles; Yang, Yunke; Perlman, Eric; Wan, Minpin; Burns, Randal; Szalay, Alex; Chen, Shiyi; Eyink, Gregory

    2008-11-01

    A public database system archiving a direct numerical simulation (DNS) data set of isotropic, forced turbulence is used for studying basic turbulence dynamics. The data set consists of the DNS output on 1024-cubed spatial points and 1024 time-samples spanning about one large-scale turn-over timescale. This complete space-time history of turbulence is accessible to users remotely through an interface that is based on the Web-services model (see http://turbulence.pha.jhu.edu). Users may write and execute analysis programs on their host computers, while the programs make subroutine-like calls that request desired parts of the data over the network. The architecture of the database is briefly explained, as are some of the new functions such as Lagrangian particle tracking and spatial box-filtering. These tools are used to evaluate and compare subgrid stresses and models.

  7. Kinetics of nitrate adsorption and reduction by nano-scale zero valent iron (NZVI): Effect of ionic strength and initial pH

    DEFF Research Database (Denmark)

    Kim, Do-Gun; Hwang, Yuhoon; Shin, Hang-Sik

    2016-01-01

    Kinetic models for pollutants reduction by Nano-scale Zero Valent Iron (NZVI) were tested in this study to gain a better understanding and description of the reaction. Adsorption kinetic models and a heterogeneous catalytic reaction kinetic equation were proposed for nitrate removal and for ammon...

  8. Scaling analysis of cloud and rain water in marine stratocumulus and implications for scale-aware microphysical parameterizations

    Science.gov (United States)

    Witte, M.; Morrison, H.; Jensen, J. B.; Bansemer, A.; Gettelman, A.

    2017-12-01

    The spatial covariance of cloud and rain water (or in simpler terms, small and large drops, respectively) is an important quantity for accurate prediction of the accretion rate in bulk microphysical parameterizations that account for subgrid variability using assumed probability density functions (pdfs). Past diagnoses of this covariance from remote sensing, in situ measurements and large eddy simulation output have implicitly assumed that the magnitude of the covariance is insensitive to grain size (i.e. horizontal resolution) and averaging length, but this is not the case because both cloud and rain water exhibit scale invariance across a wide range of scales - from tens of centimeters to tens of kilometers in the case of cloud water, a range that we will show is primarily limited by instrumentation and sampling issues. Since the individual variances systematically vary as a function of spatial scale, it should be expected that the covariance follows a similar relationship. In this study, we quantify the scaling properties of cloud and rain water content and their covariability from high frequency in situ aircraft measurements of marine stratocumulus taken over the southeastern Pacific Ocean aboard the NSF/NCAR C-130 during the VOCALS-REx field experiment of October-November 2008. First we confirm that cloud and rain water scale in distinct manners, indicating that there is a statistically and potentially physically significant difference in the spatial structure of the two fields. Next, we demonstrate that the covariance is a strong function of spatial scale, which implies important caveats regarding the ability of limited-area models with domains smaller than a few tens of kilometers across to accurately reproduce the spatial organization of precipitation. Finally, we present preliminary work on the development of a scale-aware parameterization of cloud-rain water subgrid covariability based in multifractal analysis intended for application in large-scale model

  9. RELATIONSHIPS BETWEEN FLUID VORTICITY, KINETIC HELICITY, AND MAGNETIC FIELD ON SMALL-SCALES (QUIET-NETWORK) ON THE SUN

    Energy Technology Data Exchange (ETDEWEB)

    Sangeetha, C. R.; Rajaguru, S. P., E-mail: crsangeetha@iiap.res.in [Indian Institute of Astrophysics, Bangalore-34 (India)

    2016-06-20

    We derive horizontal fluid motions on the solar surface over large areas covering the quiet-Sun magnetic network from local correlation tracking of convective granules imaged in continuum intensity and Doppler velocity by the Helioseismic and Magnetic Imager (HMI) on board the Solar Dynamics Observatory . From these we calculate the horizontal divergence, the vertical component of vorticity, and the kinetic helicity of fluid motions. We study the correlations between fluid divergence and vorticity, and between vorticity (kinetic helicity) and the magnetic field. We find that the vorticity (kinetic helicity) around small-scale fields exhibits a hemispherical pattern (in sign) similar to that followed by the magnetic helicity of large-scale active regions (containing sunspots). We identify this pattern to be a result of the Coriolis force acting on supergranular-scale flows (both the outflows and inflows), consistent with earlier studies using local helioseismology. Furthermore, we show that the magnetic fields cause transfer of vorticity from supergranular inflow regions to outflow regions, and that they tend to suppress the vortical motions around them when magnetic flux densities exceed about 300 G (from HMI). We also show that such an action of the magnetic fields leads to marked changes in the correlations between fluid divergence and vorticity. These results are speculated to be of importance to local dynamo action (if present) and to the dynamical evolution of magnetic helicity at the small-scale.

  10. SUPECA kinetics for scaling redox reactions in networks of mixed substrates and consumers and an example application to aerobic soil respiration

    Science.gov (United States)

    Tang, Jin-Yun; Riley, William J.

    2017-09-01

    Several land biogeochemical models used for studying carbon-climate feedbacks have begun explicitly representing microbial dynamics. However, to our knowledge, there has been no theoretical work on how to achieve a consistent scaling of the complex biogeochemical reactions from microbial individuals to populations, communities, and interactions with plants and mineral soils. We focus here on developing a mathematical formulation of the substrate-consumer relationships for consumer-mediated redox reactions of the form A + BE→ products, where products could be, e.g., microbial biomass or bioproducts. Under the quasi-steady-state approximation, these substrate-consumer relationships can be formulated as the computationally difficult full equilibrium chemistry problem or approximated analytically with the dual Monod (DM) or synthesizing unit (SU) kinetics. We find that DM kinetics is scaling inconsistently for reaction networks because (1) substrate limitations are not considered, (2) contradictory assumptions are made regarding the substrate processing rate when transitioning from single- to multi-substrate redox reactions, and (3) the product generation rate cannot be scaled from one to multiple substrates. In contrast, SU kinetics consistently scales the product generation rate from one to multiple substrates but predicts unrealistic results as consumer abundances reach large values with respect to their substrates. We attribute this deficit to SU's failure to incorporate substrate limitation in its derivation. To address these issues, we propose SUPECA (SU plus the equilibrium chemistry approximation - ECA) kinetics, which consistently imposes substrate and consumer mass balance constraints. We show that SUPECA kinetics satisfies the partition principle, i.e., scaling invariance across a network of an arbitrary number of reactions (e.g., as in Newton's law of motion and Dalton's law of partial pressures). We tested SUPECA kinetics with the equilibrium chemistry

  11. Visualisation and orbital-free parametrisation of the large-Z scaling of the kinetic energy density of atoms

    Science.gov (United States)

    Cancio, Antonio C.; Redd, Jeremy J.

    2017-03-01

    The scaling of neutral atoms to large Z, combining periodicity with a gradual trend to homogeneity, is a fundamental probe of density functional theory, one that has driven recent advances in understanding both the kinetic and exchange-correlation energies. Although research focus is normally upon the scaling of integrated energies, insights can also be gained from energy densities. We visualise the scaling of the positive-definite kinetic energy density (KED) in closed-shell atoms, in comparison to invariant quantities based upon the gradient and Laplacian of the density. We notice a striking fit of the KED within the core of any atom to a gradient expansion using both the gradient and the Laplacian, appearing as an asymptotic limit around which the KED oscillates. The gradient expansion is qualitatively different from that derived from first principles for a slowly varying electron gas and is correlated with a nonzero Pauli contribution to the KED near the nucleus. We propose and explore orbital-free meta-GGA models for the kinetic energy to describe these features, with some success, but the effects of quantum oscillations in the inner shells of atoms make a complete parametrisation difficult. We discuss implications for improved orbital-free description of molecular properties.

  12. Development of a new dynamic turbulent model, applications to two-dimensional and plane parallel flows

    International Nuclear Information System (INIS)

    Laval, Jean Philippe

    1999-01-01

    We developed a turbulent model based on asymptotic development of the Navier-Stokes equations within the hypothesis of non-local interactions at small scales. This model provides expressions of the turbulent Reynolds sub-grid stresses via estimates of the sub-grid velocities rather than velocities correlations as is usually done. The model involves the coupling of two dynamical equations: one for the resolved scales of motions, which depends upon the Reynolds stresses generated by the sub-grid motions, and one for the sub-grid scales of motions, which can be used to compute the sub-grid Reynolds stresses. The non-locality of interaction at sub-grid scales allows to model their evolution with a linear inhomogeneous equation where the forcing occurs via the energy cascade from resolved to sub-grid scales. This model was solved using a decomposition of sub-grid scales on Gabor's modes and implemented numerically in 2D with periodic boundary conditions. A particles method (PIC) was used to compute the sub-grid scales. The results were compared with results of direct simulations for several typical flows. The model was also applied to plane parallel flows. An analytical study of the equations allows a description of mean velocity profiles in agreement with experimental results and theoretical results based on the symmetries of the Navier-Stokes equation. Possible applications and improvements of the model are discussed in the conclusion. (author) [fr

  13. KINETIC ALFVÉN WAVE GENERATION BY LARGE-SCALE PHASE MIXING

    International Nuclear Information System (INIS)

    Vásconez, C. L.; Pucci, F.; Valentini, F.; Servidio, S.; Malara, F.; Matthaeus, W. H.

    2015-01-01

    One view of the solar wind turbulence is that the observed highly anisotropic fluctuations at spatial scales near the proton inertial length d p may be considered as kinetic Alfvén waves (KAWs). In the present paper, we show how phase mixing of large-scale parallel-propagating Alfvén waves is an efficient mechanism for the production of KAWs at wavelengths close to d p and at a large propagation angle with respect to the magnetic field. Magnetohydrodynamic (MHD), Hall magnetohydrodynamic (HMHD), and hybrid Vlasov–Maxwell (HVM) simulations modeling the propagation of Alfvén waves in inhomogeneous plasmas are performed. In the linear regime, the role of dispersive effects is singled out by comparing MHD and HMHD results. Fluctuations produced by phase mixing are identified as KAWs through a comparison of polarization of magnetic fluctuations and wave-group velocity with analytical linear predictions. In the nonlinear regime, a comparison of HMHD and HVM simulations allows us to point out the role of kinetic effects in shaping the proton-distribution function. We observe the generation of temperature anisotropy with respect to the local magnetic field and the production of field-aligned beams. The regions where the proton-distribution function highly departs from thermal equilibrium are located inside the shear layers, where the KAWs are excited, this suggesting that the distortions of the proton distribution are driven by a resonant interaction of protons with KAW fluctuations. Our results are relevant in configurations where magnetic-field inhomogeneities are present, as, for example, in the solar corona, where the presence of Alfvén waves has been ascertained

  14. KINETIC ALFVÉN WAVE GENERATION BY LARGE-SCALE PHASE MIXING

    Energy Technology Data Exchange (ETDEWEB)

    Vásconez, C. L.; Pucci, F.; Valentini, F.; Servidio, S.; Malara, F. [Dipartimento di Fisica, Università della Calabria, I-87036, Rende (CS) (Italy); Matthaeus, W. H. [Department of Physics and Astronomy, University of Delaware, DE 19716 (United States)

    2015-12-10

    One view of the solar wind turbulence is that the observed highly anisotropic fluctuations at spatial scales near the proton inertial length d{sub p} may be considered as kinetic Alfvén waves (KAWs). In the present paper, we show how phase mixing of large-scale parallel-propagating Alfvén waves is an efficient mechanism for the production of KAWs at wavelengths close to d{sub p} and at a large propagation angle with respect to the magnetic field. Magnetohydrodynamic (MHD), Hall magnetohydrodynamic (HMHD), and hybrid Vlasov–Maxwell (HVM) simulations modeling the propagation of Alfvén waves in inhomogeneous plasmas are performed. In the linear regime, the role of dispersive effects is singled out by comparing MHD and HMHD results. Fluctuations produced by phase mixing are identified as KAWs through a comparison of polarization of magnetic fluctuations and wave-group velocity with analytical linear predictions. In the nonlinear regime, a comparison of HMHD and HVM simulations allows us to point out the role of kinetic effects in shaping the proton-distribution function. We observe the generation of temperature anisotropy with respect to the local magnetic field and the production of field-aligned beams. The regions where the proton-distribution function highly departs from thermal equilibrium are located inside the shear layers, where the KAWs are excited, this suggesting that the distortions of the proton distribution are driven by a resonant interaction of protons with KAW fluctuations. Our results are relevant in configurations where magnetic-field inhomogeneities are present, as, for example, in the solar corona, where the presence of Alfvén waves has been ascertained.

  15. Kinetic turbulence simulations at extreme scale on leadership-class systems

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Bei [Princeton Univ., Princeton, NJ (United States); Ethier, Stephane [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Tang, William [Princeton Univ., Princeton, NJ (United States); Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Williams, Timothy [Argonne National Lab. (ANL), Argonne, IL (United States); Ibrahim, Khaled Z. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Madduri, Kamesh [The Pennsylvania State Univ., University Park, PA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Williams, Samuel [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Oliker, Leonid [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2013-01-01

    Reliable predictive simulation capability addressing confinement properties in magnetically confined fusion plasmas is critically-important for ITER, a 20 billion dollar international burning plasma device under construction in France. The complex study of kinetic turbulence, which can severely limit the energy confinement and impact the economic viability of fusion systems, requires simulations at extreme scale for such an unprecedented device size. Our newly optimized, global, ab initio particle-in-cell code solving the nonlinear equations underlying gyrokinetic theory achieves excellent performance with respect to "time to solution" at the full capacity of the IBM Blue Gene/Q on 786,432 cores of Mira at ALCF and recently of the 1,572,864 cores of Sequoia at LLNL. Recent multithreading and domain decomposition optimizations in the new GTC-P code represent critically important software advances for modern, low memory per core systems by enabling routine simulations at unprecedented size (130 million grid points ITER-scale) and resolution (65 billion particles).

  16. Multi-scale kinetic description of granular clusters: invariance, balance, and temperature

    Science.gov (United States)

    Capriz, Gianfranco; Mariano, Paolo Maria

    2017-12-01

    We discuss a multi-scale continuum representation of bodies made of several mass particles flowing independently each other. From an invariance procedure and a nonstandard balance of inertial actions, we derive the balance equations introduced in earlier work directly in pointwise form, essentially on the basis of physical plausibility. In this way, we analyze their foundations. Then, we propose a Boltzmann-type equation for the distribution of kinetic energies within control volumes in space and indicate how such a distribution allows us to propose a definition of (granular) temperature along processes far from equilibrium.

  17. Kinetically controlled synthesis of large-scale morphology-tailored silver nanostructures at low temperature

    Science.gov (United States)

    Zhang, Ling; Zhao, Yuda; Lin, Ziyuan; Gu, Fangyuan; Lau, Shu Ping; Li, Li; Chai, Yang

    2015-08-01

    Ag nanostructures are widely used in catalysis, energy conversion and chemical sensing. Morphology-tailored synthesis of Ag nanostructures is critical to tune physical and chemical properties. In this study, we develop a method for synthesizing the morphology-tailored Ag nanostructures in aqueous solution at a low temperature (45 °C). With the use of AgCl nanoparticles as the precursor, the growth kinetics of Ag nanostructures can be tuned with the pH value of solution and the concentration of Pd cubes which catalyze the reaction. Ascorbic acid and cetylpyridinium chloride are used as the mild reducing agent and capping agent in aqueous solution, respectively. High-yield Ag nanocubes, nanowires, right triangular bipyramids/cubes with twinned boundaries, and decahedra are successfully produced. Our method opens up a new environmentally-friendly and economical route to synthesize large-scale and morphology-tailored Ag nanostructures, which is significant to the controllable fabrication of Ag nanostructures and fundamental understanding of the growth kinetics.Ag nanostructures are widely used in catalysis, energy conversion and chemical sensing. Morphology-tailored synthesis of Ag nanostructures is critical to tune physical and chemical properties. In this study, we develop a method for synthesizing the morphology-tailored Ag nanostructures in aqueous solution at a low temperature (45 °C). With the use of AgCl nanoparticles as the precursor, the growth kinetics of Ag nanostructures can be tuned with the pH value of solution and the concentration of Pd cubes which catalyze the reaction. Ascorbic acid and cetylpyridinium chloride are used as the mild reducing agent and capping agent in aqueous solution, respectively. High-yield Ag nanocubes, nanowires, right triangular bipyramids/cubes with twinned boundaries, and decahedra are successfully produced. Our method opens up a new environmentally-friendly and economical route to synthesize large-scale and morphology

  18. Thermochemical conversion of biomass in smouldering combustion across scales: The roles of heterogeneous kinetics, oxygen and transport phenomena.

    Science.gov (United States)

    Huang, Xinyan; Rein, Guillermo

    2016-05-01

    The thermochemical conversion of biomass in smouldering combustion is investigated here by combining experiments and modeling at two scales: matter (1mg) and bench (100g) scales. Emphasis is put on the effect of oxygen (0-33vol.%) and oxidation reactions because these are poorly studied in the literature in comparison to pyrolysis. The results are obtained for peat as a representative biomass for which there is high-quality experimental data published previously. Three kinetic schemes are explored, including various steps of drying, pyrolysis and oxidation. The kinetic parameters are found using the Kissinger-Genetic Algorithm method, and then implemented in a one-dimensional model of heat and mass transfer. The predictions are validated with thermogravimetric and bench-scale experiments and then analyzed to unravel the role of heterogeneous reaction. This is the first time that the influence of oxygen on biomass smouldering is explained in terms of both chemistry and transport phenomena across scales. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

  19. On the scale similarity in large eddy simulation. A proposal of a new model

    International Nuclear Information System (INIS)

    Pasero, E.; Cannata, G.; Gallerano, F.

    2004-01-01

    Among the most common LES models present in literature there are the Eddy Viscosity-type models. In these models the subgrid scale (SGS) stress tensor is related to the resolved strain rate tensor through a scalar eddy viscosity coefficient. These models are affected by three fundamental drawbacks: they are purely dissipative, i.e. they cannot account for back scatter; they assume that the principal axes of the resolved strain rate tensor and SGS stress tensor are aligned; and that a local balance exists between the SGS turbulent kinetic energy production and its dissipation. Scale similarity models (SSM) were created to overcome the drawbacks of eddy viscosity-type models. The SSM models, such as that of Bardina et al. and that of Liu et al., assume that scales adjacent in wave number space present similar hydrodynamic features. This similarity makes it possible to effectively relate the unresolved scales, represented by the modified Cross tensor and the modified Reynolds tensor, to the smallest resolved scales represented by the modified Leonard tensor] or by a term obtained through multiple filtering operations at different scales. The models of Bardina et al. and Liu et al. are affected, however, by a fundamental drawback: they are not dissipative enough, i.e they are not able to ensure a sufficient energy drain from the resolved scales of motion to the unresolved ones. In this paper it is shown that such a drawback is due to the fact that such models do not take into account the smallest unresolved scales where the most dissipation of turbulent SGS energy takes place. A new scale similarity LES model that is able to grant an adequate drain of energy from the resolved scales to the unresolved ones is presented. The SGS stress tensor is aligned with the modified Leonard tensor. The coefficient of proportionality is expressed in terms of the trace of the modified Leonard tensor and in terms of the SGS kinetic energy (computed by solving its balance equation). The

  20. Sensitivity of the two-dimensional shearless mixing layer to the initial turbulent kinetic energy and integral length scale

    Science.gov (United States)

    Fathali, M.; Deshiri, M. Khoshnami

    2016-04-01

    The shearless mixing layer is generated from the interaction of two homogeneous isotropic turbulence (HIT) fields with different integral scales ℓ1 and ℓ2 and different turbulent kinetic energies E1 and E2. In this study, the sensitivity of temporal evolutions of two-dimensional, incompressible shearless mixing layers to the parametric variations of ℓ1/ℓ2 and E1/E2 is investigated. The sensitivity methodology is based on the nonintrusive approach; using direct numerical simulation and generalized polynomial chaos expansion. The analysis is carried out at Reℓ 1=90 for the high-energy HIT region and different integral length scale ratios 1 /4 ≤ℓ1/ℓ2≤4 and turbulent kinetic energy ratios 1 ≤E1/E2≤30 . It is found that the most influential parameter on the variability of the mixing layer evolution is the turbulent kinetic energy while variations of the integral length scale show a negligible influence on the flow field variability. A significant level of anisotropy and intermittency is observed in both large and small scales. In particular, it is found that large scales have higher levels of intermittency and sensitivity to the variations of ℓ1/ℓ2 and E1/E2 compared to the small scales. Reconstructed response surfaces of the flow field intermittency and the turbulent penetration depth show monotonic dependence on ℓ1/ℓ2 and E1/E2 . The mixing layer growth rate and the mixing efficiency both show sensitive dependence on the initial condition parameters. However, the probability density function of these quantities shows relatively small solution variations in response to the variations of the initial condition parameters.

  1. Nonlinear generation of kinetic-scale waves by magnetohydrodynamic Alfvén waves and nonlocal spectral transport in the solar wind

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, J. S.; Wu, D. J. [Purple Mountain Observatory, Chinese Academy of Sciences, Nanjing (China); Voitenko, Y.; De Keyser, J., E-mail: js_zhao@pmo.ac.cn [Solar-Terrestrial Centre of Excellence, Space Physics Division, Belgian Institute for Space Aeronomy, Ringlaan-3-Avenue Circulaire, B-1180 Brussels (Belgium)

    2014-04-20

    We study the nonlocal nonlinear coupling and generation of kinetic Alfvén waves (KAWs) and kinetic slow waves (KSWs) by magnetohydrodynamic Alfvén waves (MHD AWs) in conditions typical for the solar wind in the inner heliosphere. This cross-scale process provides an alternative to the turbulent energy cascade passing through many intermediate scales. The nonlinearities we study are proportional to the scalar products of wave vectors and hence are called 'scalar' ones. Despite the strong Landau damping of kinetic waves, we found fast growing KAWs and KSWs at perpendicular wavelengths close to the ion gyroradius. Using the parametric decay formalism, we investigate two independent decay channels for the pump AW: forward decay (involving co-propagating product waves) and backward decay (involving counter-propagating product waves). The growth rate of the forward decay is typically 0.05 but can exceed 0.1 of the pump wave frequency. The resulting spectral transport is nonlocal and anisotropic, sharply increasing perpendicular wavenumbers but not parallel ones. AWs and KAWs propagating against the pump AW grow with about the same rate and contribute to the sunward wave flux in the solar wind. Our results suggest that the nonlocal decay of MHD AWs into KAWs and KSWs is a robust mechanism for the cross-scale spectral transport of the wave energy from MHD to dissipative kinetic scales in the solar wind and similar media.

  2. A novel approach for introducing cloud spatial structure into cloud radiative transfer parameterizations

    Science.gov (United States)

    Huang, Dong; Liu, Yangang

    2014-12-01

    Subgrid-scale variability is one of the main reasons why parameterizations are needed in large-scale models. Although some parameterizations started to address the issue of subgrid variability by introducing a subgrid probability distribution function for relevant quantities, the spatial structure has been typically ignored and thus the subgrid-scale interactions cannot be accounted for physically. Here we present a new statistical-physics-like approach whereby the spatial autocorrelation function can be used to physically capture the net effects of subgrid cloud interaction with radiation. The new approach is able to faithfully reproduce the Monte Carlo 3D simulation results with several orders less computational cost, allowing for more realistic representation of cloud radiation interactions in large-scale models.

  3. Ontogenetic scaling of locomotor kinetics and kinematics of the ostrich (Struthio camelus).

    Science.gov (United States)

    Smith, Nicola C; Jespers, Karin J; Wilson, Alan M

    2010-04-01

    Kinematic and kinetic parameters of running gait were investigated through growth in the ostrich, from two weeks up to 10 months of age, in order to investigate the effects of increasing body size. Ontogenetic scaling relationships were compared with published scaling relationships found to exist with increasing body size between species to determine whether dynamic similarity is maintained during growth. During the study, ostrich mass (M(b)) ranged from 0.7 kg to 108.8 kg. Morphological measurements showed that lengths scaled with positive allometry during growth (hip height proportional to M(b)(0.40); foot segment length proportional to M(b)(0.40); tarsometatarsus length proportional to M(b)(0.41); tibiotarsus length proportional to M(b)(0.38); femur length proportional to M(b)(0.37)), significantly exceeding the close to geometric scaling observed between mammalian and avian species of increasing body size. Scaling of kinematic variables largely agreed with predicted scaling for increasing size and demonstrated relationships close to dynamic similarity and, as such, ontogenetic scaling of locomotor parameters was similar to that observed with increasing body mass between species. However, the ways in which these scaling trends were achieved were very different, with ontogenetic scaling of locomotor mechanics largely resulting from simple scaling of the limb segments rather than postural changes, likely to be due to developmental constraints. Small deviations from dynamic similarity of kinematic parameters and a reduction in the predicted scaling of limb stiffness (proportional to M(b)(0.59)) were found to be accounted for by the positive allometric scaling of the limb during growth.

  4. The Storm Surge and Sub-Grid Inundation Modeling in New York City during Hurricane Sandy

    Directory of Open Access Journals (Sweden)

    Harry V. Wang

    2014-03-01

    Full Text Available Hurricane Sandy inflicted heavy damage in New York City and the New Jersey coast as the second costliest storm in history. A large-scale, unstructured grid storm tide model, Semi-implicit Eulerian Lagrangian Finite Element (SELFE, was used to hindcast water level variation during Hurricane Sandy in the mid-Atlantic portion of the U.S. East Coast. The model was forced by eight tidal constituents at the model’s open boundary, 1500 km away from the coast, and the wind and pressure fields from atmospheric model Regional Atmospheric Modeling System (RAMS provided by Weatherflow Inc. The comparisons of the modeled storm tide with the NOAA gauge stations from Montauk, NY, Long Island Sound, encompassing New York Harbor, Atlantic City, NJ, to Duck, NC, were in good agreement, with an overall root mean square error and relative error in the order of 15–20 cm and 5%–7%, respectively. Furthermore, using large-scale model outputs as the boundary conditions, a separate sub-grid model that incorporates LIDAR data for the major portion of the New York City was also set up to investigate the detailed inundation process. The model results compared favorably with USGS’ Hurricane Sandy Mapper database in terms of its timing, local inundation area, and the depth of the flooding water. The street-level inundation with water bypassing the city building was created and the maximum extent of horizontal inundation was calculated, which was within 30 m of the data-derived estimate by USGS.

  5. Development of a novel once-through flow visualization technique for kinetic study of bulk and surface scaling

    Science.gov (United States)

    Sanni, O.; Bukuaghangin, O.; Huggan, M.; Kapur, N.; Charpentier, T.; Neville, A.

    2017-10-01

    There is a considerable interest to investigate surface crystallization in order to have a full mechanistic understanding of how layers of sparingly soluble salts (scale) build on component surfaces. Despite much recent attention, a suitable methodology to improve on the understanding of the precipitation/deposition systems to enable the construction of an accurate surface deposition kinetic model is still needed. In this work, an experimental flow rig and associated methodology to study mineral scale deposition is developed. The once-through flow rig allows us to follow mineral scale precipitation and surface deposition in situ and in real time. The rig enables us to assess the effects of various parameters such as brine chemistry and scaling indices, temperature, flow rates, and scale inhibitor concentrations on scaling kinetics. Calcium carbonate (CaCO3) scaling at different values of the saturation ratio (SR) is evaluated using image analysis procedures that enable the assessment of surface coverage, nucleation, and growth of the particles with time. The result for turbidity values measured in the flow cell is zero for all the SR considered. The residence time from the mixing point to the sample is shorter than the induction time for bulk precipitation; therefore, there are no crystals in the bulk solution as the flow passes through the sample. The study shows that surface scaling is not always a result of pre-precipitated crystals in the bulk solution. The technique enables both precipitation and surface deposition of scale to be decoupled and for the surface deposition process to be studied in real time and assessed under constant condition.

  6. A regional scale model for ozone in the United States with subgrid representation of urban and power plant plumes

    International Nuclear Information System (INIS)

    Sillman, S.; Logan, J.A.; Wofsy, S.C.

    1990-01-01

    A new approach to modeling regional air chemistry is presented for application to industrialized regions such as the continental US. Rural chemistry and transport are simulated using a coarse grid, while chemistry and transport in urban and power plant plumes are represented by detailed subgrid models. Emissions from urban and power plant sources are processed in generalized plumes where chemistry and dilution proceed for 8-12 hours before mixing with air in a large resolution element. A realistic fraction of pollutants reacts under high-NO x conditions, and NO x is removed significantly before dispersal. Results from this model are compared with results from grid odels that do not distinguish plumes and with observational data defining regional ozone distributions. Grid models with coarse resolution are found to artificially disperse NO x over rural areas, therefore overestimating rural levels of both NO x and O 3 . Regional net ozone production is too high in coarse grid models, because production of O 3 is more efficient per molecule of NO x in the low-concentration regime of rural areas than in heavily polluted plumes from major emission sources. Ozone levels simulated by this model are shown to agree with observations in urban plumes and in rural regions. The model reproduces accurately average regional and peak ozone concentrations observed during a 4-day ozone episode. Computational costs for the model are reduced 25-to 100-fold as compared to fine-mesh models

  7. A novel approach for introducing cloud spatial structure into cloud radiative transfer parameterizations

    International Nuclear Information System (INIS)

    Huang, Dong; Liu, Yangang

    2014-01-01

    Subgrid-scale variability is one of the main reasons why parameterizations are needed in large-scale models. Although some parameterizations started to address the issue of subgrid variability by introducing a subgrid probability distribution function for relevant quantities, the spatial structure has been typically ignored and thus the subgrid-scale interactions cannot be accounted for physically. Here we present a new statistical-physics-like approach whereby the spatial autocorrelation function can be used to physically capture the net effects of subgrid cloud interaction with radiation. The new approach is able to faithfully reproduce the Monte Carlo 3D simulation results with several orders less computational cost, allowing for more realistic representation of cloud radiation interactions in large-scale models. (letter)

  8. Flow-Induced New Channels of Energy Exchange in Multi-Scale Plasma Dynamics - Revisiting Perturbative Hybrid Kinetic-MHD Theory.

    Science.gov (United States)

    Shiraishi, Junya; Miyato, Naoaki; Matsunaga, Go

    2016-05-10

    It is found that new channels of energy exchange between macro- and microscopic dynamics exist in plasmas. They are induced by macroscopic plasma flow. This finding is based on the kinetic-magnetohydrodynamic (MHD) theory, which analyses interaction between macroscopic (MHD-scale) motion and microscopic (particle-scale) dynamics. The kinetic-MHD theory is extended to include effects of macroscopic plasma flow self-consistently. The extension is realised by generalising an energy exchange term due to wave-particle resonance, denoted by δ WK. The first extension is generalisation of the particle's Lagrangian, and the second one stems from modification to the particle distribution function due to flow. These extensions lead to a generalised expression of δ WK, which affects the MHD stability of plasmas.

  9. On the influence of cloud fraction diurnal cycle and sub-grid cloud optical thickness variability on all-sky direct aerosol radiative forcing

    International Nuclear Information System (INIS)

    Min, Min; Zhang, Zhibo

    2014-01-01

    The objective of this study is to understand how cloud fraction diurnal cycle and sub-grid cloud optical thickness variability influence the all-sky direct aerosol radiative forcing (DARF). We focus on the southeast Atlantic region where transported smoke is often observed above low-level water clouds during burning seasons. We use the CALIOP observations to derive the optical properties of aerosols. We developed two diurnal cloud fraction variation models. One is based on sinusoidal fitting of MODIS observations from Terra and Aqua satellites. The other is based on high-temporal frequency diurnal cloud fraction observations from SEVIRI on board of geostationary satellite. Both models indicate a strong cloud fraction diurnal cycle over the southeast Atlantic region. Sensitivity studies indicate that using a constant cloud fraction corresponding to Aqua local equatorial crossing time (1:30 PM) generally leads to an underestimated (less positive) diurnal mean DARF even if solar diurnal variation is considered. Using cloud fraction corresponding to Terra local equatorial crossing time (10:30 AM) generally leads overestimation. The biases are a typically around 10–20%, but up to more than 50%. The influence of sub-grid cloud optical thickness variability on DARF is studied utilizing the cloud optical thickness histogram available in MODIS Level-3 daily data. Similar to previous studies, we found the above-cloud smoke in the southeast Atlantic region has a strong warming effect at the top of the atmosphere. However, because of the plane-parallel albedo bias the warming effect of above-cloud smoke could be significantly overestimated if the grid-mean, instead of the full histogram, of cloud optical thickness is used in the computation. This bias generally increases with increasing above-cloud aerosol optical thickness and sub-grid cloud optical thickness inhomogeneity. Our results suggest that the cloud diurnal cycle and sub-grid cloud variability are important factors

  10. Dynamical scaling, domain-growth kinetics, and domain-wall shapes of quenched two-dimensional anisotropic XY models

    DEFF Research Database (Denmark)

    Mouritsen, Ole G.; Praestgaard, Eigil

    1988-01-01

    obeys dynamical scaling and the shape of the dynamical scaling function pertaining to the structure factor is found to depend on P. Specifically, this function is described by a Porod-law behavior, q-ω, where ω increases with the wall softness. The kinetic exponent, which describes how the linear domain...... infinite to zero temperature as well as to nonzero temperatures below the ordering transition. The continuous nature of the spin variables causes the domain walls to be ‘‘soft’’ and characterized by a finite thickness. The steady-state thickness of the walls can be varied by a model parameter, P. At zero...... size varies with time, R(t)∼tn, is for both models at zero temperature determined to be n≃0.25, independent of P. At finite temperatures, the growth kinetics is found to cross over to the Lifshitz-Allen-Cahn law characterized by n≃0.50. The results support the idea of two separate zero...

  11. Vlasov simulations of Kinetic Alfven Waves at proton kinetic scales

    NARCIS (Netherlands)

    C.L. Vasconez; F. Valentini (Francesco); E. Camporeale (Enrico); P. Veltri

    2014-01-01

    htmlabstractKinetic Alfv ́en waves represent an important subject in space plasma physics, since they are thought to play a crucial role in the development of the turbulent energy cascade in the solar wind plasma at short wavelengths (of the order of the proton inertial length d p and beyond). A

  12. Towards scale-independent land-surface flux estimates in Noah-MP

    Science.gov (United States)

    Thober, Stephan; Mizukami, Naoki; Samaniego, Luis; Attinger, Sabine; Clark, Martyn; Cuntz, Matthias

    2017-04-01

    Land-surface models use a variety of process representations to calculate terrestrial energy, water and biogeochemical fluxes. These process descriptions are usually derived from point measurements which are, in turn, scaled to much larger resolutions ranging from 1 km in catchment hydrology to 100 km in climate modelling. Both, hydrologic and climate models are nowadays run on different spatial resolutions, using the exactly same land surface representations. A fundamental criterion for the physical consistency of land-surface simulations across scales is that a flux estimated over a given area is independent of the spatial model resolution (i.e., the flux-matching criterion). The Noah-MP land surface model considers only one soil and land cover type per model grid cell without any representation of their subgrid variability, implying a weak flux-matching. A fractional approach simulates the subgrid variability but it requires a higher computational demand than using effective parameters and it is used only for land cover in current land surface schemes. A promising approach to derive scale-independent parameters is the Multiscale Parameter Regionalization (MPR) technique, which consists of two steps: first, it applies transfer functions directly to high-resolution data (such as 100 m soil maps) to derive high-resolution model parameter fields, acknowledging the full subgrid variability. Second, it upscales these high-resolution parameter fields to the model resolution by using appropriate upscaling operators. MPR has shown to improve substantially the scalability of the mesoscale Hydrologic Models mHM (Samaniego et al., 2010 WRR). Here, we apply the MPR technique to the Noah-MP land-surface model for a large sample of basins distributed across the contiguous USA. Specifically, we evaluate the flux-matching criterion for several hydrologic fluxes such as evapotranspiration and drainage at scales ranging from 3 km to 48 km. We investigate the impact of different

  13. Numerical Methods for the Optimization of Nonlinear Residual-Based Sungrid-Scale Models Using the Variational Germano Identity

    NARCIS (Netherlands)

    Maher, G.D.; Hulshoff, S.J.

    2014-01-01

    The Variational Germano Identity [1, 2] is used to optimize the coefficients of residual-based subgrid-scale models that arise from the application of a Variational Multiscale Method [3, 4]. It is demonstrated that numerical iterative methods can be used to solve the Germano relations to obtain

  14. Spatiotemporal Variability of Turbulence Kinetic Energy Budgets in the Convective Boundary Layer over Both Simple and Complex Terrain

    Energy Technology Data Exchange (ETDEWEB)

    Rai, Raj K. [Pacific Northwest National Laboratory, Richland, Washington; Berg, Larry K. [Pacific Northwest National Laboratory, Richland, Washington; Pekour, Mikhail [Pacific Northwest National Laboratory, Richland, Washington; Shaw, William J. [Pacific Northwest National Laboratory, Richland, Washington; Kosovic, Branko [National Center for Atmospheric Research, Boulder, Colorado; Mirocha, Jeffrey D. [Lawrence Livermore National Laboratory, Livermore, California; Ennis, Brandon L. [Sandia National Laboratories, Albuquerque, New Mexico

    2017-12-01

    The assumption of sub-grid scale (SGS) horizontal homogeneity within a model grid cell, which forms the basis of SGS turbulence closures used by mesoscale models, becomes increasingly tenuous as grid spacing is reduced to a few kilometers or less, such as in many emerging high-resolution applications. Herein, we use the turbulence kinetic energy (TKE) budget equation to study the spatio-temporal variability in two types of terrain—complex (Columbia Basin Wind Energy Study [CBWES] site, north-eastern Oregon) and flat (ScaledWind Farm Technologies [SWiFT] site, west Texas) using the Weather Research and Forecasting (WRF) model. In each case six-nested domains (three domains each for mesoscale and large-eddy simulation [LES]) are used to downscale the horizontal grid spacing from 10 km to 10 m using the WRF model framework. The model output was used to calculate the values of the TKE budget terms in vertical and horizontal planes as well as the averages of grid cells contained in the four quadrants (a quarter area) of the LES domain. The budget terms calculated along the planes and the mean profile of budget terms show larger spatial variability at CBWES site than at the SWiFT site. The contribution of the horizontal derivative of the shear production term to the total production shear was found to be 45% and 15% of the total shear, at the CBWES and SWiFT sites, respectively, indicating that the horizontal derivatives applied in the budget equation should not be ignored in mesoscale model parameterizations, especially for cases with complex terrain with <10 km scale.

  15. Biofilm Formation Mechanisms of Pseudomonas aeruginosa Predicted via Genome-Scale Kinetic Models of Bacterial Metabolism

    Science.gov (United States)

    2016-03-15

    RESEARCH ARTICLE Biofilm Formation Mechanisms of Pseudomonas aeruginosa Predicted via Genome-Scale Kinetic Models of Bacterial Metabolism Francisco G...jaques.reifman.civ@mail.mil Abstract A hallmark of Pseudomonas aeruginosa is its ability to establish biofilm -based infections that are difficult to...eradicate. Biofilms are less susceptible to host inflammatory and immune responses and have higher antibiotic tolerance than free-living planktonic

  16. From Detailed Description of Chemical Reacting Carbon Particles to Subgrid Models for CFD

    Directory of Open Access Journals (Sweden)

    Schulze S.

    2013-04-01

    Full Text Available This work is devoted to the development and validation of a sub-model for the partial oxidation of a spherical char particle moving in an air/steam atmosphere. The particle diameter is 2 mm. The coal particle is represented by moisture- and ash-free nonporous carbon while the coal rank is implemented using semi-global reaction rate expressions taken from the literature. The submodel includes six gaseous chemical species (O2, CO2, CO, H2O, H2, N2. Three heterogeneous reactions are employed, along with two homogeneous semi-global reactions, namely carbon monoxide oxidation and the water-gas-shift reaction. The distinguishing feature of the subgrid model is that it takes into account the influence of homogeneous reactions on integral characteristics such as carbon combustion rates and particle temperature. The sub-model was validated by comparing its results with a comprehensive CFD-based model resolving the issues of bulk flow and boundary layer around the particle. In this model, the Navier-Stokes equations coupled with the energy and species conservation equations were used to solve the problem by means of the pseudo-steady state approach. At the surface of the particle, the balance of mass, energy and species concentration was applied including the effect of the Stefan flow and heat loss due to radiation at the surface of the particle. Good agreement was achieved between the sub-model and the CFD-based model. Additionally, the CFD-based model was verified against experimental data published in the literature (Makino et al. (2003 Combust. Flame 132, 743-753. Good agreement was achieved between numerically predicted and experimentally obtained data for input conditions corresponding to the kinetically controlled regime. The maximal discrepancy (10% between the experiments and the numerical results was observed in the diffusion-controlled regime. Finally, we discuss the influence of the Reynolds number, the ambient O2 mass fraction and the ambient

  17. Two-scale large deviations for chemical reaction kinetics through second quantization path integral

    International Nuclear Information System (INIS)

    Li, Tiejun; Lin, Feng

    2016-01-01

    Motivated by the study of rare events for a typical genetic switching model in systems biology, in this paper we aim to establish the general two-scale large deviations for chemical reaction systems. We build a formal approach to explicitly obtain the large deviation rate functionals for the considered two-scale processes based upon the second quantization path integral technique. We get three important types of large deviation results when the underlying two timescales are in three different regimes. This is realized by singular perturbation analysis to the rate functionals obtained by the path integral. We find that the three regimes possess the same deterministic mean-field limit but completely different chemical Langevin approximations. The obtained results are natural extensions of the classical large volume limit for chemical reactions. We also discuss its implication on the single-molecule Michaelis–Menten kinetics. Our framework and results can be applied to understand general multi-scale systems including diffusion processes. (paper)

  18. Kinetics programs for simulation of tropospheric photochemistry on the global scale

    International Nuclear Information System (INIS)

    Elliott, S.; Kao, C.Y.J.; Turco, R.P.; Zhao, X.P.

    1993-08-01

    The study of tropospheric kinetics underlies global change because key greenhouse gases are photochemically active. Modeling of tropospheric chemistry on a global scale is essential because some indirect greenhouse gases are short-lived and interact in a non-linear fashion. It is also extremely challenging, however; the global change grid is extensive in both the physical and temporal domains, and critical lower atmospheric species include the organics and their oxidized derivatives, which are numerous. Several types of optimization may be incorporated into kinetics modules to enhance their ability to simulate the complete lower atmospheric gas phase chemical system. (1) The photochemical integrator can be accelerated by avoiding matrix and iterative solutions and by establishing families. Accuracy and mass conservation are sacrificed in the absence of iteration, but atom balancing is restorable post hoc. (2) Chemistry can be arranged upon the massive grid to exploit parallel processing, and solutions to its continuity equations can be automated to permit experimentation with species and reaction lists or family definitions. Costs in programming effort will be incurred in these cases. (3) Complex hydrocarbon decay sequences can be streamlined either through structural lumping methods descended from smog investigations, which require considerable calibration, or by defining surrogates for classes of compounds, with a loss in constituent detail. From among the available options, the most advantageous permutations will vary with the specific nature of any eventual global scale study, and there is likely to be demand for many approaches. Tracer transport codes serve as a foundation upon which tropospheric chemistry packages will be tested. Encroachment of the NO x sphere of influence upon tropical rain forests and the upper free troposphere are two examples of specific problems to which full three-dimensional chemical simulations might be applied

  19. HMS-burn: a model for hydrogen distribution and combustion in nuclear reactor containments

    International Nuclear Information System (INIS)

    Travis, J.R.

    1985-01-01

    It is now possible to analyze the time-dependent, fully three-dimensional behavior of hydrogen combustion in nuclear reactor containments. This analysis involves coupling the full Navier-Stokes equations with multi-species transport to the global chemical kinetics of hydrogen combustion. A transport equation for the subgrid scale turbulent kinetic energy density is solved to produce the time and space dependent turbulent transport coefficients. The heat transfer coefficient governing the exchange of heat between fluid computational cells adjacent to wall cells is calculated by a modified Reynolds analogy formulation. The analysis of a MARK-III containment indicates very complex flow patterns that greatly influence fluid and wall temperatures and heat fluxes

  20. Large scale synthesis of α-Si3N4 nanowires through a kinetically favored chemical vapour deposition process

    Science.gov (United States)

    Liu, Haitao; Huang, Zhaohui; Zhang, Xiaoguang; Fang, Minghao; Liu, Yan-gai; Wu, Xiaowen; Min, Xin

    2018-01-01

    Understanding the kinetic barrier and driving force for crystal nucleation and growth is decisive for the synthesis of nanowires with controllable yield and morphology. In this research, we developed an effective reaction system to synthesize very large scale α-Si3N4 nanowires (hundreds of milligrams) and carried out a comparative study to characterize the kinetic influence of gas precursor supersaturation and liquid metal catalyst. The phase composition, morphology, microstructure and photoluminescence properties of the as-synthesized products were characterized by X-ray diffraction, fourier-transform infrared spectroscopy, field emission scanning electron microscopy, transmission electron microscopy and room temperature photoluminescence measurement. The yield of the products not only relates to the reaction temperature (thermodynamic condition) but also to the distribution of gas precursors (kinetic condition). As revealed in this research, by controlling the gas diffusion process, the yield of the nanowire products could be greatly improved. The experimental results indicate that the supersaturation is the dominant factor in the as-designed system rather than the catalyst. With excellent non-flammability and high thermal stability, the large scale α-Si3N4 products would have potential applications to the improvement of strength of high temperature ceramic composites. The photoluminescence spectrum of the α-Si3N4 shows a blue shift which could be valued for future applications in blue-green emitting devices. There is no doubt that the large scale products are the base of these applications.

  1. Closing the scale gap between land surface parameterizations and GCMs with a new scheme, SiB3-Bins: SOIL MOISTURE SCALE GAP

    International Nuclear Information System (INIS)

    Baker, I. T.; Sellers, P. J.; Denning, A. S.; Medina, I.; Kraus, P.

    2017-01-01

    The interaction of land with the atmosphere is sensitive to soil moisture (W). Evapotranspiration (ET) reacts to soil moisture in a nonlinear way, f(W), as soils dry from saturation to wilt point. This nonlinear behavior and the fact that soil moisture varies on scales as small as 1–10 m in nature, while numerical general circulation models (GCMs) have grid cell sizes on the order of 1 to 100s of kilometers, makes the calculation of grid cell-average ET problematic. It is impractical to simulate the land in GCMs on the small scales seen in nature, so techniques have been developed to represent subgrid scale heterogeneity, including: (1) statistical-dynamical representations of grid subelements of varying wetness, (2) relaxation of f(W), (3) moderating f(W) with approximations of catchment hydrology, (4) “tiling” the landscape into vegetation types, and (5) hyperresolution. Here we present an alternative method for representing subgrid variability in W, one proven in a conceptual framework where landscape-scale W is represented as a series of “Bins” of increasing wetness from dry to saturated. The grid cell-level f(W) is defined by the integral of the fractional area of the wetness bins and the value of f(W) associated with each. This approach accounts for the spatiotemporal dynamics of W. We implemented this approach in the SiB3 land surface parameterization and then evaluated its performance against a control, which assumes a horizontally uniform field of W. We demonstrate that the Bins method, with a physical basis, attenuates unrealistic jumps in model state and ET seen in the control runs.

  2. From Global to Cloud Resolving Scale: Experiments with a Scale- and Aerosol-Aware Physics Package and Impact on Tracer Transport

    Science.gov (United States)

    Grell, G. A.; Freitas, S. R.; Olson, J.; Bela, M.

    2017-12-01

    We will start by providing a summary of the latest cumulus parameterization modeling efforts at NOAA's Earth System Research Laboratory (ESRL) will be presented on both regional and global scales. The physics package includes a scale-aware parameterization of subgrid cloudiness feedback to radiation (coupled PBL, microphysics, radiation, shallow and congestus type convection), the stochastic Grell-Freitas (GF) scale- and aerosol-aware convective parameterization, and an aerosol aware microphysics package. GF is based on a stochastic approach originally implemented by Grell and Devenyi (2002) and described in more detail in Grell and Freitas (2014, ACP). It was expanded to include PDF's for vertical mass flux, as well as modifications to improve the diurnal cycle. This physics package will be used on different scales, spanning global to cloud resolving, to look at the impact on scalar transport and numerical weather prediction.

  3. Large-Eddy Simulation of Flow and Pollutant Transport in Urban Street Canyons with Ground Heating

    Science.gov (United States)

    Li, Xian-Xiang; Britter, Rex E.; Koh, Tieh Yong; Norford, Leslie K.; Liu, Chun-Ho; Entekhabi, Dara; Leung, Dennis Y. C.

    2010-11-01

    Our study employed large-eddy simulation (LES) based on a one-equation subgrid-scale model to investigate the flow field and pollutant dispersion characteristics inside urban street canyons. Unstable thermal stratification was produced by heating the ground of the street canyon. Using the Boussinesq approximation, thermal buoyancy forces were taken into account in both the Navier-Stokes equations and the transport equation for subgrid-scale turbulent kinetic energy (TKE). The LESs were validated against experimental data obtained in wind-tunnel studies before the model was applied to study the detailed turbulence, temperature, and pollutant dispersion characteristics in the street canyon of aspect ratio 1. The effects of different Richardson numbers ( Ri) were investigated. The ground heating significantly enhanced mean flow, turbulence, and pollutant flux inside the street canyon, but weakened the shear at the roof level. The mean flow was observed to be no longer isolated from the free stream and fresh air could be entrained into the street canyon at the roof-level leeward corner. Weighed against higher temperature, the ground heating facilitated pollutant removal from the street canyon.

  4. Evaluation of WRF Simulations With Different Selections of Subgrid Orographic Drag Over the Tibetan Plateau

    Science.gov (United States)

    Zhou, X.; Beljaars, A.; Wang, Y.; Huang, B.; Lin, C.; Chen, Y.; Wu, H.

    2017-09-01

    Weather Research and Forecasting (WRF) simulations with different selections of subgrid orographic drag over the Tibetan Plateau have been evaluated with observation and ERA-Interim reanalysis. Results show that the subgrid orographic drag schemes, especially the turbulent orographic form drag (TOFD) scheme, efficiently reduce the 10 m wind speed bias and RMS error with respect to station measurements. With the combination of gravity wave, flow blocking and TOFD schemes, wind speed is simulated more realistically than with the individual schemes only. Improvements are also seen in the 2 m air temperature and surface pressure. The gravity wave drag, flow blocking drag, and TOFD schemes combined have the smallest station mean bias (-2.05°C in 2 m air temperature and 1.27 hPa in surface pressure) and RMS error (3.59°C in 2 m air temperature and 2.37 hPa in surface pressure). Meanwhile, the TOFD scheme contributes more to the improvements than the gravity wave drag and flow blocking schemes. The improvements are more pronounced at low levels of the atmosphere than at high levels due to the stronger drag enhancement on the low-level flow. The reduced near-surface cold bias and high-pressure bias over the Tibetan Plateau are the result of changes in the low-level wind components associated with the geostrophic balance. The enhanced drag directly leads to weakened westerlies but also enhances the a-geostrophic flow in this case reducing (enhancing) the northerlies (southerlies), which bring more warm air across the Himalaya Mountain ranges from South Asia (bring less cold air from the north) to the interior Tibetan Plateau.

  5. Kinetic study on the effect of temperature on biogas production using a lab scale batch reactor.

    Science.gov (United States)

    Deepanraj, B; Sivasubramanian, V; Jayaraj, S

    2015-11-01

    In the present study, biogas production from food waste through anaerobic digestion was carried out in a 2l laboratory-scale batch reactor operating at different temperatures with a hydraulic retention time of 30 days. The reactors were operated with a solid concentration of 7.5% of total solids and pH 7. The food wastes used in this experiment were subjected to characterization studies before and after digestion. Modified Gompertz model and Logistic model were used for kinetic study of biogas production. The kinetic parameters, biogas yield potential of the substrate (B), the maximum biogas production rate (Rb) and the duration of lag phase (λ), coefficient of determination (R(2)) and root mean square error (RMSE) were estimated in each case. The effect of temperature on biogas production was evaluated experimentally and compared with the results of kinetic study. The results demonstrated that the reactor with operating temperature of 50°C achieved maximum cumulative biogas production of 7556ml with better biodegradation efficiency. Copyright © 2015 Elsevier Inc. All rights reserved.

  6. Anomalous scaling of structure functions and dynamic constraints on turbulence simulations

    International Nuclear Information System (INIS)

    Yakhot, Victor; Sreenivasan, Katepalli R.

    2006-12-01

    The connection between anomalous scaling of structure functions (intermittency) and numerical methods for turbulence simulations is discussed. It is argued that the computational work for direct numerical simulations (DNS) of fully developed turbulence increases as Re 4 , and not as Re 3 expected from Kolmogorov's theory, where Re is a large-scale Reynolds number. Various relations for the moments of acceleration and velocity derivatives are derived. An infinite set of exact constraints on dynamically consistent subgrid models for Large Eddy Simulations (LES) is derived from the Navier-Stokes equations, and some problems of principle associated with existing LES models are highlighted. (author)

  7. Ozonation kinetics of winery wastewater in a pilot-scale bubble column reactor.

    Science.gov (United States)

    Lucas, Marco S; Peres, José A; Lan, Bing Yan; Li Puma, Gianluca

    2009-04-01

    The degradation of organic substances present in winery wastewater was studied in a pilot-scale, bubble column ozonation reactor. A steady reduction of chemical oxygen demand (COD) was observed under the action of ozone at the natural pH of the wastewater (pH 4). At alkaline and neutral pH the degradation rate was accelerated by the formation of radical species from the decomposition of ozone. Furthermore, the reaction of hydrogen peroxide (formed from natural organic matter in the wastewater) and ozone enhances the oxidation capacity of the ozonation process. The monitoring of pH, redox potential (ORP), UV absorbance (254 nm), polyphenol content and ozone consumption was correlated with the oxidation of the organic species in the water. The ozonation of winery wastewater in the bubble column was analysed in terms of a mole balance coupled with ozonation kinetics modeled by the two-film theory of mass transfer and chemical reaction. It was determined that the ozonation reaction can develop both in and across different kinetic regimes: fast, moderate and slow, depending on the experimental conditions. The dynamic change of the rate coefficient estimated by the model was correlated with changes in the water composition and oxidant species.

  8. Large-scale ruthenium- and enzyme-catalyzed dynamic kinetic resolution of (rac-1-phenylethanol

    Directory of Open Access Journals (Sweden)

    Bäckvall Jan-E

    2007-12-01

    Full Text Available Abstract The scale-up of the ruthenium- and enzyme-catalyzed dynamic kinetic resolution (DKR of (rac-1-phenylethanol (2 is addressed. The immobilized lipase Candida antarctica lipase B (CALB was employed for the resolution, which shows high enantioselectivity in the transesterification. The ruthenium catalyst used, (η 5-C5Ph5RuCl(CO2 1, was shown to possess very high reactivity in the "in situ" redox racemization of 1-phenylethanol (2 in the presence of the immobilized enzyme, and could be used in 0.05 mol% with high efficiency. Commercially available isopropenyl acetate was employed as acylating agent in the lipase-catalyzed transesterifications, which makes the purification of the product very easy. In a successful large-scale DKR of 2, with 0.05 mol% of 1, (R-1-phenylethanol acetate (3 was obtained in 159 g (97% yield in excellent enantiomeric excess (99.8% ee.

  9. Heat, mass, and momentum transport model for hydrogen diffusion flames in nuclear reactor containments

    International Nuclear Information System (INIS)

    Travis, J.R.

    1985-01-01

    It is now possible to analyze the time-dependent, fully three-dimensional behavior of hydrogen diffusion flames in nuclear reactor containments. This analysis involves coupling the full Navier-Stokes equations with multi-species transport to the global chemical kinetics of hydrogen combustion. A transport equation for the subgrid scale turbulent kinetic energy density is solved to produce the time and space dependent turbulent transport coefficients. The heat transfer coefficient governing the exchange of heat between fluid computational cells adjacent to wall cells is calculated by a modified Reynolds analogy formulation. The analysis of a MARK-III containment indicates very complex flow patterns that greatly influence fluid and wall temperatures and heat fluxes. 18 refs., 24 figs

  10. Modeling Coronal Mass Ejections with the Multi-Scale Fluid-Kinetic Simulation Suite

    International Nuclear Information System (INIS)

    Pogorelov, N. V.; Borovikov, S. N.; Wu, S. T.; Yalim, M. S.; Kryukov, I. A.; Colella, P. C.; Van Straalen, B.

    2017-01-01

    The solar eruptions and interacting solar wind streams are key drivers of geomagnetic storms and various related space weather disturbances that may have hazardous effects on the space-borne and ground-based technological systems as well as on human health. Coronal mass ejections (CMEs) and their interplanetary counterparts, interplanetary CMEs (ICMEs), belong to the strongest disturbances and therefore are of great importance for the space weather predictions. In this paper we show a few examples of how adaptive mesh refinement makes it possible to resolve the complex CME structure and its evolution in time while a CME propagates from the inner boundary to Earth. Simulations are performed with the Multi-Scale Fluid-Kinetic Simulation Suite (MS-FLUKSS). (paper)

  11. Preliminary scaling laws for plasma current, ion kinetic temperature, and plasma number density in the NASA Lewis bumpy torus plasma

    Science.gov (United States)

    Roth, J. R.

    1976-01-01

    Parametric variation of independent variables which may affect the characteristics of bumpy torus plasma have identified those which have a significant effect on the plasma current, ion kinetic temperature, and plasma number density, and those which do not. Empirical power law correlations of the plasma current, and the ion kinetic temperature and number density were obtained as functions of potential applied to the midplane electrode rings, the background neutral gas pressure, and the magnetic field strength. Additional parameters studied included the type of gas, the polarity of the midplane electrode rings, the mode of plasma operation, and the method of measuring the plasma number density. No significant departures from the scaling laws appear to occur at the highest ion kinetic temperatures or number densities obtained to date.

  12. Tantalum high-temperature oxidation kinetics

    International Nuclear Information System (INIS)

    Grigor'ev, Yu.M.; Sarkisyan, A.A.; Merzhanov, A.G.

    1981-01-01

    Kinetics of heat release and scale growth during tantalum oxidation within 650-1300 deg C temperature range in oxygen-containing media is investigated. Kinetic equations and temperature and pressure dependences of constants are ound Applicability of the kinetic Lorie mechanism for the description of the tantalum oxidation kinetics applicably to rapid-passing processes is shown. It is stated that the process rate (reaction ability) is determined by adsorption desorption factors on the external surface of the ''protective'' oxide for the ''linear'' oxidation stage [ru

  13. A Kinetics Model for KrF Laser Amplifiers

    Science.gov (United States)

    Giuliani, J. L.; Kepple, P.; Lehmberg, R.; Obenschain, S. P.; Petrov, G.

    1999-11-01

    A computer kinetics code has been developed to model the temporal and spatial behavior of an e-beam pumped KrF laser amplifier. The deposition of the primary beam electrons is assumed to be spatially uniform and the energy distribution function of the nascent electron population is calculated to be near Maxwellian below 10 eV. For an initial Kr/Ar/F2 composition, the code calculates the densities of 24 species subject to over 100 reactions with 1-D spatial resolution (typically 16 zones) along the longitudinal lasing axis. Enthalpy accounting for each process is performed to partition the energy into internal, thermal, and radiative components. The electron as well as the heavy particle temperatures are followed for energy conservation and excitation rates. Transport of the lasing photons is performed along the axis on a dense subgrid using the method of characteristics. Amplified spontaneous emission is calculated using a discrete ordinates approach and includes contributions to the local intensity from the whole amplifier volume. Specular reflection off side walls and the rear mirror are included. Results of the model will be compared with data from the NRL NIKE laser and other published results.

  14. Relaxation and kinetics in scalar field theories

    International Nuclear Information System (INIS)

    Boyanovsky, D.; Lawrie, I.D.; Lee, D.

    1996-01-01

    A new approach to the dynamics of relaxation and kinetics of thermalization in a scalar field theory is presented that incorporates the relevant time scales through the resummation of hard thermal loops. An alternative derivation of the kinetic equations for the open-quote open-quote quasiparticle close-quote close-quote distribution functions is obtained that allows a clear understanding of the different open-quote open-quote coarse-graining close-quote close-quote approximations usually involved in a kinetic description. This method leads to a systematic perturbative expansion to obtain the kinetic equations including hard thermal loop resummation and to an improvement including renormalization, off-shell effects, and contributions that change chemical equilibrium on short time scales. As a by-product of these methods we establish the equivalence between the relaxation time scale in the linearized equation of motion of the quasiparticles and the thermalization time scale of the quasiparticle distribution function in the open-quote open-quote relaxation time approximation close-quote close-quote including hard thermal loop effects. Hard thermal loop resummation dramatically modifies the scattering rate for long wavelength modes as compared to the usual (semi)classical estimate. Relaxation and kinetics are studied both in the unbroken and broken symmetry phases of the theory. The broken symmetry phase also provides the setting to obtain the contribution to the kinetic equations from processes that involve decay of a heavy scalar into light scalar particles in the medium. copyright 1996 The American Physical Society

  15. Development of dynamic kinetic resolution on large scale for (±-1-phenylethylamine

    Directory of Open Access Journals (Sweden)

    Lisa K. Thalén

    2010-09-01

    Full Text Available Candida antarctica lipase B (CALB and racemization catalyst 4 were combined in the dynamic kinetic resolution (DKR of (±-1-phenylethylamine (1. Several reaction parameters have been investigated to modify the method for application on multigram scale. A comparison of isopropyl acetate and alkyl methoxyacetates as acyl donors was carried out. It was found that lower catalyst loadings could be used to obtain (R-2-methoxy-N-(1-phenylethylacetamide (3 in good yield and high ee when alkyl methoxyacetates were used as acyl donors compared to when isopropyl acetate was used as the acyl donor. The catalyst loading could be decreased to 1.25 mol % Ru-catalyst 4 and 10 mg CALB per mmol 1 when alkyl methoxyacetates were used as the acyl donor.

  16. Development of dynamic kinetic resolution on large scale for (±)-1-phenylethylamine.

    Science.gov (United States)

    Thalén, Lisa K; Bäckvall, Jan-E

    2010-09-13

    Candida antarctica lipase B (CALB) and racemization catalyst 4 were combined in the dynamic kinetic resolution (DKR) of (±)-1-phenylethylamine (1). Several reaction parameters have been investigated to modify the method for application on multigram scale. A comparison of isopropyl acetate and alkyl methoxyacetates as acyl donors was carried out. It was found that lower catalyst loadings could be used to obtain (R)-2-methoxy-N-(1-phenylethyl)acetamide (3) in good yield and high ee when alkyl methoxyacetates were used as acyl donors compared to when isopropyl acetate was used as the acyl donor. The catalyst loading could be decreased to 1.25 mol % Ru-catalyst 4 and 10 mg CALB per mmol 1 when alkyl methoxyacetates were used as the acyl donor.

  17. Physics and dynamics coupling across scales in the next generation CESM: Meeting the challenge of high resolution. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Larson, Vincent E.

    2015-02-21

    This is a final report for a SciDAC grant supported by BER. The project implemented a novel technique for coupling small-scale dynamics and microphysics into a community climate model. The technique uses subcolumns that are sampled in Monte Carlo fashion from a distribution of subgrid variability. The resulting global simulations show several improvements over the status quo.

  18. Approximate method for stochastic chemical kinetics with two-time scales by chemical Langevin equations

    International Nuclear Information System (INIS)

    Wu, Fuke; Tian, Tianhai; Rawlings, James B.; Yin, George

    2016-01-01

    The frequently used reduction technique is based on the chemical master equation for stochastic chemical kinetics with two-time scales, which yields the modified stochastic simulation algorithm (SSA). For the chemical reaction processes involving a large number of molecular species and reactions, the collection of slow reactions may still include a large number of molecular species and reactions. Consequently, the SSA is still computationally expensive. Because the chemical Langevin equations (CLEs) can effectively work for a large number of molecular species and reactions, this paper develops a reduction method based on the CLE by the stochastic averaging principle developed in the work of Khasminskii and Yin [SIAM J. Appl. Math. 56, 1766–1793 (1996); ibid. 56, 1794–1819 (1996)] to average out the fast-reacting variables. This reduction method leads to a limit averaging system, which is an approximation of the slow reactions. Because in the stochastic chemical kinetics, the CLE is seen as the approximation of the SSA, the limit averaging system can be treated as the approximation of the slow reactions. As an application, we examine the reduction of computation complexity for the gene regulatory networks with two-time scales driven by intrinsic noise. For linear and nonlinear protein production functions, the simulations show that the sample average (expectation) of the limit averaging system is close to that of the slow-reaction process based on the SSA. It demonstrates that the limit averaging system is an efficient approximation of the slow-reaction process in the sense of the weak convergence.

  19. GRAVITATIONALLY UNSTABLE FLAMES: RAYLEIGH-TAYLOR STRETCHING VERSUS TURBULENT WRINKLING

    International Nuclear Information System (INIS)

    Hicks, E. P.; Rosner, R.

    2013-01-01

    In this paper, we provide support for the Rayleigh-Taylor-(RT)-based subgrid model used in full-star simulations of deflagrations in Type Ia supernovae explosions. We use the results of a parameter study of two-dimensional direct numerical simulations of an RT unstable model flame to distinguish between the two main types of subgrid models (RT or turbulence dominated) in the flamelet regime. First, we give scalings for the turbulent flame speed, the Reynolds number, the viscous scale, and the size of the burning region as the non-dimensional gravity (G) is varied. The flame speed is well predicted by an RT-based flame speed model. Next, the above scalings are used to calculate the Karlovitz number (Ka) and to discuss appropriate combustion regimes. No transition to thin reaction zones is seen at Ka = 1, although such a transition is expected by turbulence-dominated subgrid models. Finally, we confirm a basic physical premise of the RT subgrid model, namely, that the flame is fractal, and thus self-similar. By modeling the turbulent flame speed, we demonstrate that it is affected more by large-scale RT stretching than by small-scale turbulent wrinkling. In this way, the RT instability controls the flame directly from the large scales. Overall, these results support the RT subgrid model.

  20. Influence of the orographic roughness of glacier valleys across the Transantarctic Mountains in an atmospheric regional model

    Energy Technology Data Exchange (ETDEWEB)

    Jourdain, Nicolas C.; Gallee, Hubert [Laboratoire de Glaciologie et Geophysique de l' Environnement, Saint Martin d' Heres (France)

    2011-03-15

    Glacier valleys across the Transantarctic Mountains are not properly taken into account in climate models, because of their coarse resolution. Nonetheless, glacier valleys control katabatic winds in this region, and the latter are thought to affect the climate of the Ross Sea sector, frsater formation to snow mass balance. The purpose of this paper is to investigate the role of the production of turbulent kinetic energy by the subgrid-scale orography in the Transantarctic Mountains using a 20-km atmospheric regional model. A classical orographic roughness length parametrization is modified to produce either smooth or rough valleys. A one-year simulation shows that katabatic winds in the Transantarctic Mountains are strongly improved using smooth valleys rather than rough valleys. Pressure and temperature fields are affected by the representation of the orographic roughness, specifically in the Transantarctic Mountains and over the Ross Ice Shelf. A smooth representation of escarpment regions shows better agreement with automatic weather station observations than a rough representation. This work stresses the need to improve the representation of subgrid-scale orography to simulate realistic katabatic flows. This paper also provides a way of improving surface winds in an atmospheric model without increasing its resolution. (orig.)

  1. Origin of two time-scale regimes in potentiometric titration of metal oxides. A replica kinetic Monte Carlo study

    International Nuclear Information System (INIS)

    Zarzycki, Piotr P.; Rosso, Kevin M.

    2009-01-01

    Replica Kinetic Monte Carlo simulations were used to study the characteristic time scales of potentiometric titration of the metal oxides and (oxy)hydroxides. The effect of surface heterogeneity and surface transformation on the titration kinetics were also examined. Two characteristic relaxation times are often observed experimentally, with the trailing slower part attributed to surface non-uniformity, porosity, polymerization, amorphization, and other dynamic surface processes induced by unbalanced surface charge. However, our simulations show that these two characteristic relaxation times are intrinsic to the proton binding reaction for energetically homogeneous surfaces, and therefore surface heterogeneity or transformation do not necessarily need to be invoked. However, all such second-order surface processes are found to intensify the separation and distinction of the two kinetic regimes. The effect of surface energetic-topographic non-uniformity, as well dynamic surface transformation, interface roughening/smoothing were described in a statistical fashion. Furthermore, our simulations show that a shift in the point-of-zero charge is expected from increased titration speed and the pH-dependence of the titration measurement error is in excellent agreement with experimental studies.

  2. Origin of two time-scale regimes in potentiometric titration of metal oxides. A replica kinetic Monte Carlo study.

    Science.gov (United States)

    Zarzycki, Piotr; Rosso, Kevin M

    2009-06-16

    Replica kinetic Monte Carlo simulations were used to study the characteristic time scales of potentiometric titration of the metal oxides and (oxy)hydroxides. The effect of surface heterogeneity and surface transformation on the titration kinetics were also examined. Two characteristic relaxation times are often observed experimentally, with the trailing slower part attributed to surface nonuniformity, porosity, polymerization, amorphization, and other dynamic surface processes induced by unbalanced surface charge. However, our simulations show that these two characteristic relaxation times are intrinsic to the proton-binding reaction for energetically homogeneous surfaces, and therefore surface heterogeneity or transformation does not necessarily need to be invoked. However, all such second-order surface processes are found to intensify the separation and distinction of the two kinetic regimes. The effect of surface energetic-topographic nonuniformity, as well dynamic surface transformation, interface roughening/smoothing were described in a statistical fashion. Furthermore, our simulations show that a shift in the point-of-zero charge is expected from increased titration speed, and the pH-dependence of the titration measurement error is in excellent agreement with experimental studies.

  3. Kinetics and

    Directory of Open Access Journals (Sweden)

    Mojtaba Ahmadi

    2016-11-01

    Full Text Available The aqueous degradation of Reactive Yellow 84 (RY84 by potassium peroxydisulfate (K2S2O8 has been studied in laboratory scale experiments. The effect of the initial concentrations of potassium peroxydisulfate and RY84, pH and temperature on RY84 degradation were also examined. Experimental data were analyzed using first and second-order kinetics. The degradation kinetics of RY84 of the potassium peroxydisulfate process followed the second-order reaction kinetics. These rate constants have an extreme values similar to of 9.493 mM−1min−1 at a peroxydisulfate dose of 4 mmol/L. Thermodynamic parameters such as activation (Ea and Gibbs free energy (ΔG° were also evaluated. The negative value of ΔGo and Ea shows the spontaneous reaction natural conditions and exothermic nature.

  4. Modeling of scale-dependent bacterial growth by chemical kinetics approach.

    Science.gov (United States)

    Martínez, Haydee; Sánchez, Joaquín; Cruz, José-Manuel; Ayala, Guadalupe; Rivera, Marco; Buhse, Thomas

    2014-01-01

    We applied the so-called chemical kinetics approach to complex bacterial growth patterns that were dependent on the liquid-surface-area-to-volume ratio (SA/V) of the bacterial cultures. The kinetic modeling was based on current experimental knowledge in terms of autocatalytic bacterial growth, its inhibition by the metabolite CO2, and the relief of inhibition through the physical escape of the inhibitor. The model quantitatively reproduces kinetic data of SA/V-dependent bacterial growth and can discriminate between differences in the growth dynamics of enteropathogenic E. coli, E. coli JM83, and Salmonella typhimurium on one hand and Vibrio cholerae on the other hand. Furthermore, the data fitting procedures allowed predictions about the velocities of the involved key processes and the potential behavior in an open-flow bacterial chemostat, revealing an oscillatory approach to the stationary states.

  5. Modeling of Scale-Dependent Bacterial Growth by Chemical Kinetics Approach

    Directory of Open Access Journals (Sweden)

    Haydee Martínez

    2014-01-01

    Full Text Available We applied the so-called chemical kinetics approach to complex bacterial growth patterns that were dependent on the liquid-surface-area-to-volume ratio (SA/V of the bacterial cultures. The kinetic modeling was based on current experimental knowledge in terms of autocatalytic bacterial growth, its inhibition by the metabolite CO2, and the relief of inhibition through the physical escape of the inhibitor. The model quantitatively reproduces kinetic data of SA/V-dependent bacterial growth and can discriminate between differences in the growth dynamics of enteropathogenic E. coli, E. coli  JM83, and Salmonella typhimurium on one hand and Vibrio cholerae on the other hand. Furthermore, the data fitting procedures allowed predictions about the velocities of the involved key processes and the potential behavior in an open-flow bacterial chemostat, revealing an oscillatory approach to the stationary states.

  6. Efficient implicit LES method for the simulation of turbulent cavitating flows

    International Nuclear Information System (INIS)

    Egerer, Christian P.; Schmidt, Steffen J.; Hickel, Stefan; Adams, Nikolaus A.

    2016-01-01

    We present a numerical method for efficient large-eddy simulation of compressible liquid flows with cavitation based on an implicit subgrid-scale model. Phase change and subgrid-scale interface structures are modeled by a homogeneous mixture model that assumes local thermodynamic equilibrium. Unlike previous approaches, emphasis is placed on operating on a small stencil (at most four cells). The truncation error of the discretization is designed to function as a physically consistent subgrid-scale model for turbulence. We formulate a sensor functional that detects shock waves or pseudo-phase boundaries within the homogeneous mixture model for localizing numerical dissipation. In smooth regions of the flow field, a formally non-dissipative central discretization scheme is used in combination with a regularization term to model the effect of unresolved subgrid scales. The new method is validated by computing standard single- and two-phase test-cases. Comparison of results for a turbulent cavitating mixing layer obtained with the new method demonstrates its suitability for the target applications.

  7. Comparison of GCM subgrid fluxes calculated using BATS and SiB schemes with a coupled land-atmosphere high-resolution model

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Jinmei; Arritt, R.W. [Iowa State Univ., Ames, IA (United States)

    1996-12-31

    The importance of land-atmosphere interactions and biosphere in climate change studies has long been recognized, and several land-atmosphere interaction schemes have been developed. Among these, the Simple Biosphere scheme (SiB) of Sellers et al. and the Biosphere Atmosphere Transfer Scheme (BATS) of Dickinson et al. are two of the most widely known. The effects of GCM subgrid-scale inhomogeneities of surface properties in general circulation models also has received increasing attention in recent years. However, due to the complexity of land surface processes and the difficulty to prescribe the large number of parameters that determine atmospheric and soil interactions with vegetation, many previous studies and results seem to be contradictory. A GCM grid element typically represents an area of 10{sup 4}-10{sup 6} km{sup 2}. Within such an area, there exist variations of soil type, soil wetness, vegetation type, vegetation density and topography, as well as urban areas and water bodies. In this paper, we incorporate both BATS and SiB2 land surface process schemes into a nonhydrostatic, compressible version of AMBLE model (Atmospheric Model -- Boundary-Layer Emphasis), and compare the surface heat fluxes and mesoscale circulations calculated using the two schemes. 8 refs., 5 figs.

  8. Stochastic theory of interfacial enzyme kinetics: A kinetic Monte Carlo study

    International Nuclear Information System (INIS)

    Das, Biswajit; Gangopadhyay, Gautam

    2012-01-01

    Graphical abstract: Stochastic theory of interfacial enzyme kinetics is formulated. Numerical results of macroscopic phenomenon of lag-burst kinetics is obtained by using a kinetic Monte Carlo approach to single enzyme activity. Highlights: ► An enzyme is attached with the fluid state phospholipid molecules on the Langmuir monolayer. ► Through the diffusion, the enzyme molecule reaches the gel–fluid interface. ► After hydrolysing a phospholipid molecule it predominantly leaves the surface in the lag phase. ► The enzyme is strictly attached to the surface with scooting mode of motion and the burst phase appears. - Abstract: In the spirit of Gillespie’s stochastic approach we have formulated a theory to explore the advancement of the interfacial enzyme kinetics at the single enzyme level which is ultimately utilized to obtain the ensemble average macroscopic feature, lag-burst kinetics. We have provided a theory of the transition from the lag phase to the burst phase kinetics by considering the gradual development of electrostatic interaction among the positively charged enzyme and negatively charged product molecules deposited on the phospholipid surface. It is shown that the different diffusion time scales of the enzyme over the fluid and product regions are responsible for the memory effect in the correlation of successive turnover events of the hopping mode in the single trajectory analysis which again is reflected on the non-Gaussian distribution of turnover times on the macroscopic kinetics in the lag phase unlike the burst phase kinetics.

  9. Kinetic mixing and the supersymmetric gauge hierarchy

    International Nuclear Information System (INIS)

    Dienes, K.R.; Kolda, C.; March-Russell, J.

    1997-01-01

    The most general Lagrangian for a model with two U(1) gauge symmetries contains a renormalizable operator which mixes their gauge kinetic terms. Such kinetic mixing can be generated at arbitrarily high scales but will not be suppressed by large masses. In models whose supersymmetry (SUSY)-breaking hidden sectors contain U(1) gauge factors, we show that such terms will generically arise and communicate SUSY breaking to the visible sector through mixing with hypercharge. In the context of the usual supergravity- or gauge-mediated communication scenarios with D-terms of order the fundamental scale of SUSY breaking, this effect can destabilize the gauge hierarchy. Even in models for which kinetic mixing is suppressed or the D-terms are arranged to be small, this effect is a potentially large correction to the soft scalar masses and therefore introduces a new measurable low-energy parameter. We calculate the size of kinetic mixing both in field theory and in string theory, and argue that appreciable kinetic mixing is a generic feature of string models. We conclude that the possibility of kinetic mixing effects cannot be ignored in model building and in phenomenological studies of the low-energy SUSY spectra. (orig.)

  10. A moving subgrid model for simulation of reflood heat transfer

    International Nuclear Information System (INIS)

    Frepoli, Cesare; Mahaffy, John H.; Hochreiter, Lawrence E.

    2003-01-01

    In the quench front and froth region the thermal-hydraulic parameters experience a sharp axial variation. The heat transfer regime changes from single-phase liquid, to nucleate boiling, to transition boiling and finally to film boiling in a small axial distance. One of the major limitations of all the current best-estimate codes is that a relatively coarse mesh is used to solve the complex fluid flow and heat transfer problem in proximity of the quench front during reflood. The use of a fine axial mesh for the entire core becomes prohibitive because of the large computational costs involved. Moreover, as the mesh size decreases, the standard numerical methods based on a semi-implicit scheme, tend to become unstable. A subgrid model was developed to resolve the complex thermal-hydraulic problem at the quench front and froth region. This model is a Fine Hydraulic Moving Grid (FHMG) that overlies a coarse Eulerian mesh in the proximity of the quench front and froth region. The fine mesh moves in the core and follows the quench front as it advances in the core while the rods cool and quench. The FHMG software package was developed and implemented into the COBRA-TF computer code. This paper presents the model and discusses preliminary results obtained with the COBRA-TF/FHMG computer code

  11. Solar Plasma Radio Emission in the Presence of Imbalanced Turbulence of Kinetic-Scale Alfvén Waves

    Science.gov (United States)

    Lyubchyk, O.; Kontar, E. P.; Voitenko, Y. M.; Bian, N. H.; Melrose, D. B.

    2017-09-01

    We study the influence of kinetic-scale Alfvénic turbulence on the generation of plasma radio emission in the solar coronal regions where the ratio β of plasma to magnetic pressure is lower than the electron-to-ion mass ratio me/mi. The present study is motivated by the phenomenon of solar type I radio storms that are associated with the strong magnetic field of active regions. The measured brightness temperature of the type I storms can be up to 10^{10} K for continuum emission, and can exceed 10^{11} K for type I bursts. At present, there is no generally accepted theory explaining such high brightness temperatures and some other properties of the type I storms. We propose a model with an imbalanced turbulence of kinetic-scale Alfvén waves that produce an asymmetric quasi-linear plateau on the upper half of the electron velocity distribution. The Landau damping of resonant Langmuir waves is suppressed and their amplitudes grow spontaneously above the thermal level. The estimated saturation level of Langmuir waves is high enough to generate observed type I radio emission at the fundamental plasma frequency. Harmonic emission does not appear in our model because the backward-propagating Langmuir waves undergo strong Landau damping. Our model predicts 100% polarization in the sense of the ordinary (o-) mode of type I emission.

  12. Probabilistic Downscaling of Remote Sensing Data with Applications for Multi-Scale Biogeochemical Flux Modeling.

    Science.gov (United States)

    Stoy, Paul C; Quaife, Tristan

    2015-01-01

    Upscaling ecological information to larger scales in space and downscaling remote sensing observations or model simulations to finer scales remain grand challenges in Earth system science. Downscaling often involves inferring subgrid information from coarse-scale data, and such ill-posed problems are classically addressed using regularization. Here, we apply two-dimensional Tikhonov Regularization (2DTR) to simulate subgrid surface patterns for ecological applications. Specifically, we test the ability of 2DTR to simulate the spatial statistics of high-resolution (4 m) remote sensing observations of the normalized difference vegetation index (NDVI) in a tundra landscape. We find that the 2DTR approach as applied here can capture the major mode of spatial variability of the high-resolution information, but not multiple modes of spatial variability, and that the Lagrange multiplier (γ) used to impose the condition of smoothness across space is related to the range of the experimental semivariogram. We used observed and 2DTR-simulated maps of NDVI to estimate landscape-level leaf area index (LAI) and gross primary productivity (GPP). NDVI maps simulated using a γ value that approximates the range of observed NDVI result in a landscape-level GPP estimate that differs by ca 2% from those created using observed NDVI. Following findings that GPP per unit LAI is lower near vegetation patch edges, we simulated vegetation patch edges using multiple approaches and found that simulated GPP declined by up to 12% as a result. 2DTR can generate random landscapes rapidly and can be applied to disaggregate ecological information and compare of spatial observations against simulated landscapes.

  13. Achieving scale-independent land-surface flux estimates - Application of the Multiscale Parameter Regionalization (MPR) to the Noah-MP land-surface model across the contiguous USA

    Science.gov (United States)

    Thober, S.; Mizukami, N.; Samaniego, L. E.; Attinger, S.; Clark, M. P.; Cuntz, M.

    2016-12-01

    Land-surface models use a variety of process representations to calculate terrestrial energy, water and biogeochemical fluxes. These process descriptions are usually derived from point measurements but are scaled to much larger resolutions in applications that range from about 1 km in catchment hydrology to 100 km in climate modelling. Both, hydrologic and climate models are nowadays run on different spatial resolutions, using the exact same land surface representations. A fundamental criterion for the physical consistency of land-surface simulations across scales is that a flux estimated over a given area is independent of the spatial model resolution (i.e., the flux-matching criterion). The Noah-MP land surface model considers only one soil and land cover type per model grid cell without any representation of subgrid variability, implying a weak flux-matching. A fractional approach simulates subgrid variability but it requires a higher computational demand than using effective parameters and it is used only for land cover in current land surface schemes. A promising approach to derive scale-independent parameters is the Multiscale Parameter Regionalization (MPR) technique, which consists of two steps: first, it applies transfer functions directly to high-resolution data (such as 100 m soil maps) to derive high-resolution model parameter fields, acknowledging the full subgrid variability. Second, it upscales these high-resolution parameter fields to the model resolution by using appropriate upscaling operators. MPR has shown to improve substantially the scalability of hydrologic models. Here, we apply the MPR technique to the Noah-MP land-surface model for a large sample of basins distributed across the contiguous USA. Specifically, we evaluate the flux-matching criterion for several hydrologic fluxes such as evapotranspiration and total runoff at scales ranging from 3 km to 48 km. We also investigate a p-norm scaling operator that goes beyond the current

  14. ENERGY DISSIPATION IN MAGNETIC NULL POINTS AT KINETIC SCALES

    International Nuclear Information System (INIS)

    Olshevsky, Vyacheslav; Lapenta, Giovanni; Divin, Andrey; Eriksson, Elin; Markidis, Stefano

    2015-01-01

    We use kinetic particle-in-cell and MHD simulations supported by an observational data set to investigate magnetic reconnection in clusters of null points in space plasma. The magnetic configuration under investigation is driven by fast adiabatic flux rope compression that dissipates almost half of the initial magnetic field energy. In this phase powerful currents are excited producing secondary instabilities, and the system is brought into a state of “intermittent turbulence” within a few ion gyro-periods. Reconnection events are distributed all over the simulation domain and energy dissipation is rather volume-filling. Numerous spiral null points interconnected via their spines form null lines embedded into magnetic flux ropes; null point pairs demonstrate the signatures of torsional spine reconnection. However, energy dissipation mainly happens in the shear layers formed by adjacent flux ropes with oppositely directed currents. In these regions radial null pairs are spontaneously emerging and vanishing, associated with electron streams and small-scale current sheets. The number of spiral nulls in the simulation outweighs the number of radial nulls by a factor of 5–10, in accordance with Cluster observations in the Earth's magnetosheath. Twisted magnetic fields with embedded spiral null points might indicate the regions of major energy dissipation for future space missions such as the Magnetospheric Multiscale Mission

  15. Detectable states, cycle fluxes, and motility scaling of molecular motor kinesin: An integrative kinetic graph theory analysis

    Science.gov (United States)

    Ren, Jie

    2017-12-01

    The process by which a kinesin motor couples its ATPase activity with concerted mechanical hand-over-hand steps is a foremost topic of molecular motor physics. Two major routes toward elucidating kinesin mechanisms are the motility performance characterization of velocity and run length, and single-molecular state detection experiments. However, these two sets of experimental approaches are largely uncoupled to date. Here, we introduce an integrative motility state analysis based on a theorized kinetic graph theory for kinesin, which, on one hand, is validated by a wealth of accumulated motility data, and, on the other hand, allows for rigorous quantification of state occurrences and chemomechanical cycling probabilities. An interesting linear scaling for kinesin motility performance across species is discussed as well. An integrative kinetic graph theory analysis provides a powerful tool to bridge motility and state characterization experiments, so as to forge a unified effort for the elucidation of the working mechanisms of molecular motors.

  16. Large eddy simulations of round free jets using explicit filtering with/without dynamic Smagorinsky model

    International Nuclear Information System (INIS)

    Bogey, Christophe; Bailly, Christophe

    2006-01-01

    Large eddy simulations (LES) of round free jets at Mach number M = 0.9 with Reynolds numbers over the range 2.5 x 10 3 ≤ Re D ≤ 4 x 10 5 are performed using explicit selective/high-order filtering with or without dynamic Smagorinsky model (DSM). Features of the flows and of the turbulent kinetic energy budgets in the turbulent jets are reported. The contributions of molecular viscosity, filtering and DSM to energy dissipation are also presented. Using filtering alone, the results are independent of the filtering strength, and the effects of the Reynolds number on jet development are successfully calculated. Using DSM, the effective jet Reynolds number is found to be artificially decreased by the eddy viscosity. The results are also not appreciably modified when subgrid-scale kinetic energy is used. Moreover, unlike filtering which does not significantly affect the larger computed scales, the eddy viscosity is shown to dissipate energy through all the turbulent scales, in the same way as molecular viscosity at lower Reynolds numbers

  17. Kinetics experiments and bench-scale system: Background, design, and preliminary experiments

    International Nuclear Information System (INIS)

    Rofer, C.K.

    1987-10-01

    The project, Supercritical Water Oxidation of Hazardous Chemical Waste, is a Hazardous Waste Remedial Actions Program (HAZWRAP) Research and Development task being carried out by the Los Alamos National Laboratory. Its objective is to obtain information for use in understanding the basic technology and for scaling up and applying oxidation in supercritical water as a viable process for treating a variety of DOE-DP waste streams. This report gives the background and rationale for kinetics experiments on oxidation in supercritical water being carried out as a part of this HAZWRAP Research and Development task. It discusses supercritical fluid properties and their relevance to applying this process to the destruction of hazardous wastes. An overview is given of the small emerging industry based on applications of supercritical water oxidation. Factors that could lead to additional applications are listed. Modeling studies are described as a basis for the experimental design. The report describes plug flow reactor and batch reactor systems, and presents preliminary results. 28 refs., 4 figs., 5 tabs

  18. An investigation of the sub-grid variability of trace gases and aerosols for global climate modeling

    Directory of Open Access Journals (Sweden)

    Y. Qian

    2010-07-01

    Full Text Available One fundamental property and limitation of grid based models is their inability to identify spatial details smaller than the grid cell size. While decades of work have gone into developing sub-grid treatments for clouds and land surface processes in climate models, the quantitative understanding of sub-grid processes and variability for aerosols and their precursors is much poorer. In this study, WRF-Chem is used to simulate the trace gases and aerosols over central Mexico during the 2006 MILAGRO field campaign, with multiple spatial resolutions and emission/terrain scenarios. Our analysis focuses on quantifying the sub-grid variability (SGV of trace gases and aerosols within a typical global climate model grid cell, i.e. 75×75 km2.

    Our results suggest that a simulation with 3-km horizontal grid spacing adequately reproduces the overall transport and mixing of trace gases and aerosols downwind of Mexico City, while 75-km horizontal grid spacing is insufficient to represent local emission and terrain-induced flows along the mountain ridge, subsequently affecting the transport and mixing of plumes from nearby sources. Therefore, the coarse model grid cell average may not correctly represent aerosol properties measured over polluted areas. Probability density functions (PDFs for trace gases and aerosols show that secondary trace gases and aerosols, such as O3, sulfate, ammonium, and nitrate, are more likely to have a relatively uniform probability distribution (i.e. smaller SGV over a narrow range of concentration values. Mostly inert and long-lived trace gases and aerosols, such as CO and BC, are more likely to have broad and skewed distributions (i.e. larger SGV over polluted regions. Over remote areas, all trace gases and aerosols are more uniformly distributed compared to polluted areas. Both CO and O3 SGV vertical profiles are nearly constant within the PBL during daytime, indicating that trace gases

  19. Multiple spatial scaling and the weak coupling approximation. II. Homogeneous kinetic equation

    Energy Technology Data Exchange (ETDEWEB)

    Kleinsmith, P E [Carnegie-Mellon Univ., Pittsburgh, Pa. (USA)

    1977-08-01

    A modified form of the Bogoliubov plasma cluster expansion is applied to the derivation of a divergence-free kinetic equation from the BBGKY hierarchy. Special attention is given to the conditions under which the Landau kinetic equation may be derived from this more general formulation.

  20. Large-scale kinetic energy spectra from Eulerian analysis of EOLE wind data

    Science.gov (United States)

    Desbois, M.

    1975-01-01

    A data set of 56,000 winds determined from the horizontal displacements of EOLE balloons at the 200 mb level in the Southern Hemisphere during the period October 1971-February 1972 is utilized for the computation of planetary- and synoptic-scale kinetic energy space spectra. However, the random distribution of measurements in space and time presents some problems for the spectral analysis. Two different approaches are used, i.e., a harmonic analysis of daily wind values at equi-distant points obtained by space-time interpolation of the data, and a correlation method using the direct measurements. Both methods give similar results for small wavenumbers, but the second is more accurate for higher wavenumbers (k above or equal to 10). The spectra show a maximum at wavenumbers 5 and 6 due to baroclinic instability and then decrease for high wavenumbers up to wavenumber 35 (which is the limit of the analysis), according to the inverse power law k to the negative p, with p close to 3.

  1. Development and Validation of Chemical Kinetic Mechanism Reduction Scheme for Large-Scale Mechanisms

    DEFF Research Database (Denmark)

    Poon, Hiew Mun; Ng, Hoon Kiat; Gan, Suyin

    2014-01-01

    This work is an extension to a previously reported work on chemical kinetic mechanism reduction scheme for large-scale mechanisms. Here, Perfectly Stirred Reactor (PSR) was added as a criterion of data source for mechanism reduction instead of using only auto-ignition condition. As a result......) simulations were performed to study the spray combustion phenomena within a constant volume bomb. Both non-reacting and reacting conditions were applied in this study. Liquid and vapor penetration lengths were replicated for non-reacting diesel spray. For reacting diesel spray, both ignition delay and lift......-off length were simulated. The simulation results were then compared to the experimental data of Sandia National Laboratories and No. 2 Diesel Fuel (D2) was designated as the reference fuel. Both liquid and vapor penetrations for non-reacting condition were well-matched, while ignition delay was advanced...

  2. Stochastic four-way coupling of gas-solid flows for Large Eddy Simulations

    Science.gov (United States)

    Curran, Thomas; Denner, Fabian; van Wachem, Berend

    2017-11-01

    The interaction of solid particles with turbulence has for long been a topic of interest for predicting the behavior of industrially relevant flows. For the turbulent fluid phase, Large Eddy Simulation (LES) methods are widely used for their low computational cost, leaving only the sub-grid scales (SGS) of turbulence to be modelled. Although LES has seen great success in predicting the behavior of turbulent single-phase flows, the development of LES for turbulent gas-solid flows is still in its infancy. This contribution aims at constructing a model to describe the four-way coupling of particles in an LES framework, by considering the role particles play in the transport of turbulent kinetic energy across the scales. Firstly, a stochastic model reconstructing the sub-grid velocities for the particle tracking is presented. Secondly, to solve particle-particle interaction, most models involve a deterministic treatment of the collisions. We finally introduce a stochastic model for estimating the collision probability. All results are validated against fully resolved DNS-DPS simulations. The final goal of this contribution is to propose a global stochastic method adapted to two-phase LES simulation where the number of particles considered can be significantly increased. Financial support from PetroBras is gratefully acknowledged.

  3. On the use of kinetic energy preserving DG-schemes for large eddy simulation

    Science.gov (United States)

    Flad, David; Gassner, Gregor

    2017-12-01

    Recently, element based high order methods such as Discontinuous Galerkin (DG) methods and the closely related flux reconstruction (FR) schemes have become popular for compressible large eddy simulation (LES). Element based high order methods with Riemann solver based interface numerical flux functions offer an interesting dispersion dissipation behavior for multi-scale problems: dispersion errors are very low for a broad range of scales, while dissipation errors are very low for well resolved scales and are very high for scales close to the Nyquist cutoff. In some sense, the inherent numerical dissipation caused by the interface Riemann solver acts as a filter of high frequency solution components. This observation motivates the trend that element based high order methods with Riemann solvers are used without an explicit LES model added. Only the high frequency type inherent dissipation caused by the Riemann solver at the element interfaces is used to account for the missing sub-grid scale dissipation. Due to under-resolution of vortical dominated structures typical for LES type setups, element based high order methods suffer from stability issues caused by aliasing errors of the non-linear flux terms. A very common strategy to fight these aliasing issues (and instabilities) is so-called polynomial de-aliasing, where interpolation is exchanged with projection based on an increased number of quadrature points. In this paper, we start with this common no-model or implicit LES (iLES) DG approach with polynomial de-aliasing and Riemann solver dissipation and review its capabilities and limitations. We find that the strategy gives excellent results, but only when the resolution is such, that about 40% of the dissipation is resolved. For more realistic, coarser resolutions used in classical LES e.g. of industrial applications, the iLES DG strategy becomes quite inaccurate. We show that there is no obvious fix to this strategy, as adding for instance a sub-grid-scale

  4. Kinetic energy budgets near the turbulent/nonturbulent interface in jets

    Science.gov (United States)

    Taveira, Rodrigo R.; da Silva, Carlos B.

    2013-01-01

    The dynamics of the kinetic energy near the turbulent/nonturbulent (T/NT) interface separating the turbulent from the irrotational flow regions is analysed using three direct numerical simulations of turbulent planar jets, with Reynolds numbers based on the Taylor micro-scale across the jet shear layer in the range Reλ ≈ 120-160. Important levels of kinetic energy are already present in the irrotational region near the T/NT interface. The mean pressure and kinetic energy are well described by the Bernoulli equation in this region and agree with recent results obtained from rapid distortion theory in the turbulent region [M. A. C. Teixeira and C. B. da Silva, "Turbulence dynamics near a turbulent/non-turbulent interface," J. Fluid Mech. 695, 257-287 (2012)], 10.1017/jfm.2012.17 while the normal Reynolds stresses agree with the theoretical predictions from Phillips ["The irrotational motion outside a free turbulent boundary," Proc. Cambridge Philos. Soc. 51, 220 (1955)], 10.1017/S0305004100030073. The use of conditional statistics in relation to the distance from the T/NT interface allow a detailed study of the build up of kinetic energy across the T/NT interface, pointing to a very different picture than using classical statistics. Conditional kinetic energy budgets show that apart from the viscous dissipation of kinetic energy, the maximum of all the mechanisms governing the kinetic energy are concentrated in a very narrow region distancing about one to two Taylor micro-scales from the T/NT interface. The (total and fluctuating) kinetic energy starts increasing in the irrotational region by pressure-velocity interactions - a mechanism that can act at distance, and continue to grow by advection (for the total kinetic energy) and turbulent diffusion (for the turbulent kinetic energy) inside the turbulent region. These mechanisms tend to occur preferentially around the core of the large-scale vortices existing near T/NT interface. The production of turbulent

  5. Production of a sterile species: Quantum kinetics

    Science.gov (United States)

    Boyanovsky, D.; Ho, C. M.

    2007-10-01

    Production of a sterile species is studied within an effective model of active-sterile neutrino mixing in a medium in thermal equilibrium. The quantum kinetic equations for the distribution functions and coherences are obtained from two independent methods: the effective action and the quantum master equation. The decoherence time scale for active-sterile oscillations is τdec=2/Γaa, but the evolution of the distribution functions is determined by the two different time scales associated with the damping rates of the quasiparticle modes in the medium: Γ1=Γaacos⁡2θm; Γ2=Γaasin⁡2θm where Γaa is the interaction rate of the active species in the absence of mixing and θm the mixing angle in the medium. These two time scales are widely different away from Mikheyev-Smirnov-Wolfenstein resonances and preclude the kinetic description of active-sterile production in terms of a simple rate equation. We give the complete set of quantum kinetic equations for the active and sterile populations and coherences and discuss in detail the various approximations. A generalization of the active-sterile transition probability in a medium is provided via the quantum master equation. We derive explicitly the usual quantum kinetic equations in terms of the “polarization vector” and show their equivalence to those obtained from the quantum master equation and effective action.

  6. Physics and Dynamics Coupling Across Scales in the Next Generation CESM. Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Bacmeister, Julio T. [University Corporation for Atmospheric Research (UCAR), Boulder, CO (United States)

    2015-06-12

    This project examines physics/dynamics coupling, that is, exchange of meteorological profiles and tendencies between an atmospheric model’s dynamical core and its various physics parameterizations. Most model physics parameterizations seek to represent processes that occur on scales smaller than the smallest scale resolved by the dynamical core. As a consequence a key conceptual aspect of parameterizations is an assumption about the subgrid variability of quantities such as temperature, humidity or vertical wind. Most existing parameterizations of processes such as turbulence, convection, cloud, and gravity wave drag make relatively ad hoc assumptions about this variability and are forced to introduce empirical parameters, i.e., “tuning knobs” to obtain realistic simulations. These knobs make systematic dependences on model grid size difficult to quantify.

  7. A kinetics database and scripts for PHREEQC

    Science.gov (United States)

    Hu, B.; Zhang, Y.; Teng, Y.; Zhu, C.

    2017-12-01

    Kinetics of geochemical reactions has been increasingly used in numerical models to simulate coupled flow, mass transport, and chemical reactions. However, the kinetic data are scattered in the literature. To assemble a kinetic dataset for a modeling project is an intimidating task for most. In order to facilitate the application of kinetics in geochemical modeling, we assembled kinetics parameters into a database for the geochemical simulation program, PHREEQC (version 3.0). Kinetics data were collected from the literature. Our database includes kinetic data for over 70 minerals. The rate equations are also programmed into scripts with the Basic language. Using the new kinetic database, we simulated reaction path during the albite dissolution process using various rate equations in the literature. The simulation results with three different rate equations gave difference reaction paths at different time scale. Another application involves a coupled reactive transport model simulating the advancement of an acid plume in an acid mine drainage site associated with Bear Creek Uranium tailings pond. Geochemical reactions including calcite, gypsum, and illite were simulated with PHREEQC using the new kinetic database. The simulation results successfully demonstrated the utility of new kinetic database.

  8. Multi-scale analysis of compressible fluctuations in the solar wind

    Energy Technology Data Exchange (ETDEWEB)

    Roberts, Owen W.; Escoubet, C. Philippe [ESA/ESTEC SCI-S, Noordwijk (Netherlands); Narita, Yasuhito [Austrian Academy of Sciences, Graz (Austria). Space Research Inst.

    2018-04-01

    Compressible plasma turbulence is investigated in the fast solar wind at proton kinetic scales by the combined use of electron density and magnetic field measurements. Both the scale-dependent cross-correlation (CC) and the reduced magnetic helicity (σ{sub m}) are used in tandem to determine the properties of the compressible fluctuations at proton kinetic scales. At inertial scales the turbulence is hypothesised to contain a mixture of Alfvenic and slow waves, characterised by weak magnetic helicity and anti-correlation between magnetic field strength B and electron density n{sub e}. At proton kinetic scales the observations suggest that the fluctuations have stronger positive magnetic helicities as well as strong anti-correlations within the frequency range studied. These results are interpreted as being characteristic of either counter-propagating kinetic Alfven wave packets or a mixture of anti-sunward kinetic Alfven waves along with a component of kinetic slow waves.

  9. Phenomenology of local scale invariance: from conformal invariance to dynamical scaling

    International Nuclear Information System (INIS)

    Henkel, Malte

    2002-01-01

    Statistical systems displaying a strongly anisotropic or dynamical scaling behaviour are characterized by an anisotropy exponent θ or a dynamical exponent z. For a given value of θ (or z), we construct local scale transformations, which can be viewed as scale transformations with a space-time-dependent dilatation factor. Two distinct types of local scale transformations are found. The first type may describe strongly anisotropic scaling of static systems with a given value of θ, whereas the second type may describe dynamical scaling with a dynamical exponent z. Local scale transformations act as a dynamical symmetry group of certain non-local free-field theories. Known special cases of local scale invariance are conformal invariance for θ=1 and Schroedinger invariance for θ=2. The hypothesis of local scale invariance implies that two-point functions of quasi primary operators satisfy certain linear fractional differential equations, which are constructed from commuting fractional derivatives. The explicit solution of these yields exact expressions for two-point correlators at equilibrium and for two-point response functions out of equilibrium. A particularly simple and general form is found for the two-time auto response function. These predictions are explicitly confirmed at the uniaxial Lifshitz points in the ANNNI and ANNNS models and in the aging behaviour of simple ferromagnets such as the kinetic Glauber-Ising model and the kinetic spherical model with a non-conserved order parameter undergoing either phase-ordering kinetics or non-equilibrium critical dynamics

  10. Factors impacting biotransformation kinetics of trace organic compounds in lab-scale activated sludge systems performing nitrification and denitrification

    Energy Technology Data Exchange (ETDEWEB)

    Su, Lijuan; Aga, Diana [Department of Chemistry, University at Buffalo, State University of New York, Buffalo, NY 14260 (United States); Chandran, Kartik [Department of Earth and Environmental Engineering, Columbia University, New York, NY 10027 (United States); Khunjar, Wendell O., E-mail: wkhunjar@hazenandsawyer.com [Hazen and Sawyer P.C., Fairfax, VA 22030 (United States)

    2015-01-23

    Highlights: • We examined TOrC biotransformation kinetics in nitrifying and denitrifying reators. • TOrC biotransformation was linked to heterotrophic and autotrophic activity. • TOrC biotransformation rates were not sensitive to the initial TOrC concentration. • Readily biodegradable organic matter suppressed TOrC biotransformation rates. - Abstract: To predict TOrC fate in biological activated sludge systems, there is a need to accurately determine TOrC biodegradation kinetics in mixed microbial cultures. Short-term batch tests with salicylic acid, 17α-ethinylestradiol, nonylphenol, trimethoprim and carbamazepine were conducted with lab-scale activated sludge cultures in which the initial TOrC concentration (1 mg/L and 0.0005 mg/L) and readily biodegradable substrate concentrations were varied. The results indicate that pseudo-first order kinetic estimates of TOrC are not sensitive (p > 0.05) to the initial TOrC concentration as long as the initial TOrC concentration (S{sub 0}) to biomass (X{sub 0}) ratio (on COD basis) is below 2 × 10{sup −3}. The presence of readily biodegradable organic matter suppresses TOrC biotransformation rates under nitrifying and denitrifying conditions, and this impact can be adequately described using a reversible non-competitive inhibition equation. These results demonstrate the importance of closely mimicking parent reactor conditions in batch testing because biotransformation parameters are impacted by in-situ carbon loading and redox conditions.

  11. Factors impacting biotransformation kinetics of trace organic compounds in lab-scale activated sludge systems performing nitrification and denitrification

    International Nuclear Information System (INIS)

    Su, Lijuan; Aga, Diana; Chandran, Kartik; Khunjar, Wendell O.

    2015-01-01

    Highlights: • We examined TOrC biotransformation kinetics in nitrifying and denitrifying reators. • TOrC biotransformation was linked to heterotrophic and autotrophic activity. • TOrC biotransformation rates were not sensitive to the initial TOrC concentration. • Readily biodegradable organic matter suppressed TOrC biotransformation rates. - Abstract: To predict TOrC fate in biological activated sludge systems, there is a need to accurately determine TOrC biodegradation kinetics in mixed microbial cultures. Short-term batch tests with salicylic acid, 17α-ethinylestradiol, nonylphenol, trimethoprim and carbamazepine were conducted with lab-scale activated sludge cultures in which the initial TOrC concentration (1 mg/L and 0.0005 mg/L) and readily biodegradable substrate concentrations were varied. The results indicate that pseudo-first order kinetic estimates of TOrC are not sensitive (p > 0.05) to the initial TOrC concentration as long as the initial TOrC concentration (S 0 ) to biomass (X 0 ) ratio (on COD basis) is below 2 × 10 −3 . The presence of readily biodegradable organic matter suppresses TOrC biotransformation rates under nitrifying and denitrifying conditions, and this impact can be adequately described using a reversible non-competitive inhibition equation. These results demonstrate the importance of closely mimicking parent reactor conditions in batch testing because biotransformation parameters are impacted by in-situ carbon loading and redox conditions

  12. Time line cell tracking for the approximation of lagrangian coherent structures with subgrid accuracy

    KAUST Repository

    Kuhn, Alexander

    2013-12-05

    Lagrangian coherent structures (LCSs) have become a widespread and powerful method to describe dynamic motion patterns in time-dependent flow fields. The standard way to extract LCS is to compute height ridges in the finite-time Lyapunov exponent field. In this work, we present an alternative method to approximate Lagrangian features for 2D unsteady flow fields that achieve subgrid accuracy without additional particle sampling. We obtain this by a geometric reconstruction of the flow map using additional material constraints for the available samples. In comparison to the standard method, this allows for a more accurate global approximation of LCS on sparse grids and for long integration intervals. The proposed algorithm works directly on a set of given particle trajectories and without additional flow map derivatives. We demonstrate its application for a set of computational fluid dynamic examples, as well as trajectories acquired by Lagrangian methods, and discuss its benefits and limitations. © 2013 The Authors Computer Graphics Forum © 2013 The Eurographics Association and John Wiley & Sons Ltd.

  13. Scaling of water vapor in the meso-gamma (2-20km) and lower meso-beta (20-50km) scales from tall tower time series

    Science.gov (United States)

    Pressel, K. G.; Collins, W.; Desai, A. R.

    2011-12-01

    Deficiencies in the parameterization of boundary layer clouds in global climate models (GCMs) remains one of the greatest sources of uncertainty in climate change predictions. Many GCM cloud parameterizations, which seek to include some representation of subgrid-scale cloud variability, do so by making assumptions regarding the subgrid-scale spatial probability density function (PDF) of total water content. Properly specifying the form and parameters of the total water PDF is an essential step in the formulation of PDF based cloud parameterizations. In the cloud free boundary layer, the PDF of total water mixing ratio is equivalent to the PDF of water vapor mixing ratio. Understanding the PDF of water vapor mixing ratio in the cloud free atmosphere is a necessary step towards understanding the PDF of water vapor in the cloudy atmosphere. A primary challenge in empirically constraining the PDF of water vapor mixing ratio is a distinct lack of a spatially distributed observational dataset at or near cloud scale. However, at meso-beta (20-50km) and larger scales, there is a wealth of information on the spatial distribution of water vapor contained in the physically retrieved water vapor profiles from the Atmospheric Infrared Sounder onboard NASA`s Aqua satellite. The scaling (scale-invariance) of the observed water vapor field has been suggested as means of using observations at satellite observed (meso-beta) scales to derive information about cloud scale PDFs. However, doing so requires the derivation of a robust climatology of water vapor scaling from in-situ observations across the meso- gamma (2-20km) and meso-beta scales. In this work, we present the results of the scaling of high frequency (10Hz) time series of water vapor mixing ratio as observed from the 447m WLEF tower located near Park Falls, Wisconsin. Observations from a tall tower offer an ideal set of observations with which to investigate scaling at meso-gamma and meso-beta scales requiring only the

  14. Estimation of Oxidation Kinetics and Oxide Scale Void Position of Ferritic-Martensitic Steels in Supercritical Water

    Directory of Open Access Journals (Sweden)

    Li Sun

    2017-01-01

    Full Text Available Exfoliation of oxide scales from high-temperature heating surfaces of power boilers threatened the safety of supercritical power generating units. According to available space model, the oxidation kinetics of two ferritic-martensitic steels are developed to predict in supercritical water at 400°C, 500°C, and 600°C. The iron diffusion coefficients in magnetite and Fe-Cr spinel are extrapolated from studies of Backhaus and Töpfer. According to Fe-Cr-O ternary phase diagram, oxygen partial pressure at the steel/Fe-Cr spinel oxide interface is determined. The oxygen partial pressure at the magnetite/supercritical water interface meets the equivalent oxygen partial pressure when system equilibrium has been attained. The relative error between calculated values and experimental values is analyzed and the reasons of error are suggested. The research results show that the results of simulation at 600°C are approximately close to experimental results. The iron diffusion coefficient is discontinuous in the duplex scale of two ferritic-martensitic steels. The simulation results of thicknesses of the oxide scale on tubes (T91 of final superheater of a 600 MW supercritical boiler are compared with field measurement data and calculation results by Adrian’s method. The calculated void positions of oxide scales are in good agreement with a cross-sectional SEM image of the oxide layers.

  15. Surface drag effects on simulated wind fields in high-resolution atmospheric forecast model

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Kyo Sun; Lim, Jong Myoung; Ji, Young Yong [Environmental Radioactivity Assessment Team,Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Shin, Hye Yum [NOAA/Geophysical Fluid Dynamics Laboratory, Princeton (United States); Hong, Jin Kyu [Yonsei University, Seoul (Korea, Republic of)

    2017-04-15

    It has been reported that the Weather Research and Forecasting (WRF) model generally shows a substantial over prediction bias at low to moderate wind speeds and winds are too geostrophic (Cheng and Steenburgh 2005), which limits the application of WRF model in the area that requires the accurate surface wind estimation such as wind-energy application, air-quality studies, and radioactive-pollutants dispersion studies. The surface drag generated by the subgrid-scale orography is represented by introducing a sink term in the momentum equation in their studies. The purpose of our study is to evaluate the simulated meteorological fields in the high-resolution WRF framework, that includes the parameterization of subgrid-scale orography developed by Mass and Ovens (2010), and enhance the forecast skill of low-level wind fields, which plays an important role in transport and dispersion of air pollutants including radioactive pollutants. The positive bias in 10-m wind speed is significantly alleviated by implementing the subgrid-scale orography parameterization, while other meteorological fields including 10-m wind direction are not changed. Increased variance of subgrid- scale orography enhances the sink of momentum and further reduces the bias in 10-m wind speed.

  16. A group-kinetic theory of turbulent collective collisions

    International Nuclear Information System (INIS)

    Tchen, C.M.; Misguich, J.H.

    1983-05-01

    The main objective is the derivation of the kinetic equation of turbulence which has a memory in the turbulent collision integral. We consider the basic pair-interaction, and the interaction between a fluctuation and the organized cluster of other fluctuations in the collection systems, called the multiple interaction. By a group-scaling procedure, a fluctuation is decomposed into three groups to represent the three coupled transport processes of evolution, transport coefficient, and relaxation. The kinetic equation of the scaled singlet distribution is capable of investigating the spectrum of turbulence without the need of the knowledge of the pair distribution. The exact propagator describes the detailed trajectory in the phase space, and is fundamental to the Lagrangian-Eulerian transformation. We calculate the propagator and its scaled groups by means of a probability of retrograde transition. Thus our derivation of the kinetic equation of the distribution involves a parallel development of the kinetic equations of the propagator and the transition probability. In this way, we can avoid the assumptions of independence and normality. Our result shows that the multiple interaction contributes to a shielding and an enchancement of the collision in weak turbulence and strong turbulence, respectively. The weak turbulence is dominated by the wave resonance, and the strong turbulence is dominated by the diffusion

  17. Multi-scale analysis of compressible fluctuations in the solar wind

    Science.gov (United States)

    Roberts, Owen W.; Narita, Yasuhito; Escoubet, C.-Philippe

    2018-01-01

    Compressible plasma turbulence is investigated in the fast solar wind at proton kinetic scales by the combined use of electron density and magnetic field measurements. Both the scale-dependent cross-correlation (CC) and the reduced magnetic helicity (σm) are used in tandem to determine the properties of the compressible fluctuations at proton kinetic scales. At inertial scales the turbulence is hypothesised to contain a mixture of Alfvénic and slow waves, characterised by weak magnetic helicity and anti-correlation between magnetic field strength B and electron density ne. At proton kinetic scales the observations suggest that the fluctuations have stronger positive magnetic helicities as well as strong anti-correlations within the frequency range studied. These results are interpreted as being characteristic of either counter-propagating kinetic Alfvén wave packets or a mixture of anti-sunward kinetic Alfvén waves along with a component of kinetic slow waves.

  18. Accounting for chemical kinetics in field scale transport calculations

    International Nuclear Information System (INIS)

    Bryan, N.D.

    2005-01-01

    The modelling of column experiments has shown that the humic acid mediated transport of metal ions is dominated by the non-exchangeable fraction. Metal ions enter this fraction via the exchangeable fraction, and may transfer back again. However, in both directions these chemical reactions are slow. Whether or not a kinetic description of these processes is required during transport calculations, or an assumption of local equilibrium will suffice, will depend upon the ratio of the reaction half-time to the residence time of species within the groundwater column. If the flow rate is sufficiently slow or the reaction sufficiently fast then the assumption of local equilibrium is acceptable. Alternatively, if the reaction is sufficiently slow (or the flow rate fast), then the reaction may be 'decoupled', i.e. removed from the calculation. These distinctions are important, because calculations involving chemical kinetics are computationally very expensive, and should be avoided wherever possible. In addition, column experiments have shown that the sorption of humic substances and metal-humate complexes may be significant, and that these reactions may also be slow. In this work, a set of rules is presented that dictate when the local equilibrium and decoupled assumptions may be used. In addition, it is shown that in all cases to a first approximation, the behaviour of a kinetically controlled species, and in particular its final distribution against distance at the end of a calculation, depends only upon the ratio of the reaction first order rate to the residence time, and hence, even in the region where the simplifications may not be used, the behaviour is predictable. In this way, it is possible to obtain an estimate of the migration of these species, without the need for a complex transport calculation. (orig.)

  19. Fractal Characteristics Analysis of Blackouts in Interconnected Power Grid

    DEFF Research Database (Denmark)

    Wang, Feng; Li, Lijuan; Li, Canbing

    2018-01-01

    The power failure models are a key to understand the mechanism of large scale blackouts. In this letter, the similarity of blackouts in interconnected power grids (IPGs) and their sub-grids is discovered by the fractal characteristics analysis to simplify the failure models of the IPG. The distri......The power failure models are a key to understand the mechanism of large scale blackouts. In this letter, the similarity of blackouts in interconnected power grids (IPGs) and their sub-grids is discovered by the fractal characteristics analysis to simplify the failure models of the IPG....... The distribution characteristics of blackouts in various sub-grids are demonstrated based on the Kolmogorov-Smirnov (KS) test. The fractal dimensions (FDs) of the IPG and its sub-grids are then obtained by using the KS test and the maximum likelihood estimation (MLE). The blackouts data in China were used...

  20. Evaluation of LES models for flow over bluff body from engineering ...

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    one-equation model for subgrid kinetic energy is the best choice. ... He also contemplated to use Spalart & Allmaras (1992) one-equation RANS model for this ..... characteristics of the turbulent flow near wake of a square cylinder. J. Fluid Mech ...

  1. Kinetic and allometric models for dosimetry using radiopharmaceuticals labeled with lanthanides

    International Nuclear Information System (INIS)

    Lima, Marina Ferreira

    2012-01-01

    This work proposes two models based in compartmental analyses: Animal model and Human model, using images from gamma camera measurements to determinate the kinetic constants of the 177 Lu-DOTATATE to three animal species (rat Wistar, Armenian hamster and Syrian hamster) and to the human in biodistribution studies split in two phases: Phase 1 governed by uptake from the blood and Phase 2 governed by the real excretion. The kinetic constants obtained from the animals' data ere used to build allometric scaling to predict radiopharmaceutical biodistribution in the human employing relations by mass, metabolism, by life span and by physiological parameters. These extrapolation results were compared with the PRRT (Peptide receptor radiotherapy) patients kinetic data calculated using the Human model. The kinetic constants obtained from humans were used in dose assessment to PRRT patients considering MIRD 26 organs and tissues. Dosimetry results were in agreement with available results from literature. For the Phase 1 allometric scaling from kinetic data from the blood to the organs straight responsible for the 177 Lu-DOTATATE metabolism and excretion - liver, kidneys and urinary bladder -show good correlation in the scaling by mass, metabolism and physiological and parameters. For the Phase 2, only the kinetic data from blood to the liver and to the kidneys show good correlation. Based in the anaesthetics inhibitory action over the renal excretion, there is not empirical basis to allow measurement times over 40 minutes in in vivo studies with small animals. Consequently, the Phase 1 results seem enough to make allometric scaling to assessment dose in PRRT. (author)

  2. Kinetic energy budget details

    Indian Academy of Sciences (India)

    Abstract. This paper presents the detailed turbulent kinetic energy budget and higher order statistics of flow behind a surface-mounted rib with and without superimposed acoustic excitation. Pattern recognition technique is used to determine the large-scale structure magnitude. It is observed that most of the turbulence ...

  3. Kinetics of tetrataenite disordering

    International Nuclear Information System (INIS)

    Dos Santos, E.; Gattacceca, J.; Rochette, P.; Fillion, G.; Scorzelli, R.B.

    2015-01-01

    Tetrataenite is a chemically ordered L1 0 -type Fe 50 Ni 50 alloy detected for the first time in 1977 by 57 Fe Mössbauer spectroscopy studies in iron meteorites. The thermal history of meteorites, in particular short thermal events like those associated to hypervelocity impacts, can be constrained by tracing the presence of tetrataenite or its disordering into taenite. The knowledge of the disordering kinetics of tetrataenite, that is associated with changes in its magnetic properties, is still very fragmentary so that the time–temperature history of these meteorites cannot be constrained in details. Furthermore, knowledge of disordering kinetics is important due to potential technological application of tetrataenite as a rare-earth free strong magnet. Thus, this work provides the first time–temperature data for disordering reaction of tetrataenite. We have shown that disordering is not an instantaneous process but is a kinetic limited reaction. It was shown that disordering may take place at any temperature above the order–disorder transition for L 10 superstructure phase (∼320 °C) when the appropriate time-scale is considered. This result means that the apparent Curie point for tetrataenite is not an absolute property in the sense that any estimate of this parameter should be referred to a given time-scale. - Highlights: • The first time–temperature data for tetrataenite disordering reaction is provided. • Previous works does not give a complete picture of tetrataenite disordering. • Apparent Curie temperature of tetrataenite should be referred to a time-scale. • Tetrataenite can be used as a probe to detect thermal/shock events recorded in meteorites

  4. Kinetic-Scale Electric and Magnetic Field Fluctuations in the Solar Wind at 1 AU: THEMIS/ARTEMIS Observations

    Science.gov (United States)

    Salem, C. S.; Hanson, E.; Bonnell, J. W.; Chaston, C. C.; Bale, S. D.; Mozer, F.

    2017-12-01

    We present here an analysis of kinetic-scale electromagnetic fluctuations in the solar wind using data from THEMIS and ARTEMIS spacecraft. We use high-time resolution electric and magnetic field measurements, as well as density fluctuations, up to 128 samples per second, as well as particle burst plasma data during carefully selected solar wind intervals. We focus our analysis on a few such intervals spanning different values of plasma beta and angles between the local magnetic field and the radial Sun-Earth direction. We discuss the careful analysis process of characterizing and removing the different instrumental effects and noise sources affecting the electric and magnetic field data at those scales, above 0.1 Hz or so, above the breakpoint marking the start of the so-called dissipation range of solar wind turbulence. We compute parameters such as the electric to magnetic field ratio, the magnetic compressibility, magnetic helicity, and other relevant quantities in order to diagnose the nature of the fluctuations at those scales between the ion and electron cyclotron frequencies, extracting information on the dominant modes composing the fluctuations. We also discuss the presence and role of coherent structures in the measured fluctuations. The nature of the fluctuations in the dissipation or dispersive scales of solar wind turbulence is still debated. This observational study is also highly relevant to the current Turbulent Dissipation Challenge.

  5. Kinetic modeling of cell metabolism for microbial production.

    Science.gov (United States)

    Costa, Rafael S; Hartmann, Andras; Vinga, Susana

    2016-02-10

    Kinetic models of cellular metabolism are important tools for the rational design of metabolic engineering strategies and to explain properties of complex biological systems. The recent developments in high-throughput experimental data are leading to new computational approaches for building kinetic models of metabolism. Herein, we briefly survey the available databases, standards and software tools that can be applied for kinetic models of metabolism. In addition, we give an overview about recently developed ordinary differential equations (ODE)-based kinetic models of metabolism and some of the main applications of such models are illustrated in guiding metabolic engineering design. Finally, we review the kinetic modeling approaches of large-scale networks that are emerging, discussing their main advantages, challenges and limitations. Copyright © 2015 Elsevier B.V. All rights reserved.

  6. A dynamic globalization model for large eddy simulation of complex turbulent flow

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Hae Cheon; Park, No Ma; Kim, Jin Seok [Seoul National Univ., Seoul (Korea, Republic of)

    2005-07-01

    A dynamic subgrid-scale model is proposed for large eddy simulation of turbulent flows in complex geometry. The eddy viscosity model by Vreman [Phys. Fluids, 16, 3670 (2004)] is considered as a base model. A priori tests with the original Vreman model show that it predicts the correct profile of subgrid-scale dissipation in turbulent channel flow but the optimal model coefficient is far from universal. Dynamic procedures of determining the model coefficient are proposed based on the 'global equilibrium' between the subgrid-scale dissipation and viscous dissipation. An important feature of the proposed procedures is that the model coefficient determined is globally constant in space but varies only in time. Large eddy simulations with the present dynamic model are conducted for forced isotropic turbulence, turbulent channel flow and flow over a sphere, showing excellent agreements with previous results.

  7. Scalar energy fluctuations in Large-Eddy Simulation of turbulent flames: Statistical budgets and mesh quality criterion

    Energy Technology Data Exchange (ETDEWEB)

    Vervisch, Luc; Domingo, Pascale; Lodato, Guido [CORIA - CNRS and INSA de Rouen, Technopole du Madrillet, BP 8, 76801 Saint-Etienne-du-Rouvray (France); Veynante, Denis [EM2C - CNRS and Ecole Centrale Paris, Grande Voie des Vignes, 92295 Chatenay-Malabry (France)

    2010-04-15

    Large-Eddy Simulation (LES) provides space-filtered quantities to compare with measurements, which usually have been obtained using a different filtering operation; hence, numerical and experimental results can be examined side-by-side in a statistical sense only. Instantaneous, space-filtered and statistically time-averaged signals feature different characteristic length-scales, which can be combined in dimensionless ratios. From two canonical manufactured turbulent solutions, a turbulent flame and a passive scalar turbulent mixing layer, the critical values of these ratios under which measured and computed variances (resolved plus sub-grid scale) can be compared without resorting to additional residual terms are first determined. It is shown that actual Direct Numerical Simulation can hardly accommodate a sufficiently large range of length-scales to perform statistical studies of LES filtered reactive scalar-fields energy budget based on sub-grid scale variances; an estimation of the minimum Reynolds number allowing for such DNS studies is given. From these developments, a reliability mesh criterion emerges for scalar LES and scaling for scalar sub-grid scale energy is discussed. (author)

  8. Kinetic theory and transport phenomena

    CERN Document Server

    Soto, Rodrigo

    2016-01-01

    This textbook presents kinetic theory, which is a systematic approach to describing nonequilibrium systems. The text is balanced between the fundamental concepts of kinetic theory (irreversibility, transport processes, separation of time scales, conservations, coarse graining, distribution functions, etc.) and the results and predictions of the theory, where the relevant properties of different systems are computed. The book is organised in thematic chapters where different paradigmatic systems are studied. The specific features of these systems are described, building and analysing the appropriate kinetic equations. Specifically, the book considers the classical transport of charges, the dynamics of classical gases, Brownian motion, plasmas, and self-gravitating systems, quantum gases, the electronic transport in solids and, finally, semiconductors. Besides these systems that are studied in detail, concepts are applied to some modern examples including the quark–gluon plasma, the motion of bacterial suspen...

  9. Turbulent flow and heat transfer from a slot jet impinging on a moving plate

    International Nuclear Information System (INIS)

    Chattopadhyay, Himadri; Saha, Sujoy K.

    2003-01-01

    The flow field due to an impinging jet over a moving surface at a moderately high Reynolds number, emanating from a rectangular slot nozzle has been computed using the large eddy simulation technique. A dynamic subgrid-scale stress model has been used for the small scales of turbulence. The velocity of the impinging surface perpendicular to the jet velocity has been varied up to two times the jet velocity at the nozzle exit. Turbulence quantities such as kinetic energy, production rate of turbulent kinetic energy and the Reynolds stresses are calculated for different surface velocities. It has been observed that, while the turbulent kinetic energy increases with increasing velocity of the impinging surface, production rate of turbulence initially increases with increasing surface velocity and then comes down. By analyzing the components of turbulent production it was found that P 33 is the dominant term up to the surface velocity of one unit and when the surface velocity is two times the jet velocity at the nozzle exit, the major contribution to turbulence production comes from P 13 and partly from P 11 . Heat transfer from the plate initially increases with non-dimensional surface velocity up to 1.2 and then comes down

  10. National-scale estimation of gross forest aboveground carbon loss: a case study of the Democratic Republic of the Congo

    International Nuclear Information System (INIS)

    Tyukavina, A; Potapov, P V; Turubanova, S A; Hansen, M C; Stehman, S V; Baccini, A; Goetz, S J; Laporte, N T; Houghton, R A

    2013-01-01

    Recent advances in remote sensing enable the mapping and monitoring of carbon stocks without relying on extensive in situ measurements. The Democratic Republic of the Congo (DRC) is among the countries where national forest inventories (NFI) are either non-existent or out of date. Here we demonstrate a method for estimating national-scale gross forest aboveground carbon (AGC) loss and associated uncertainties using remotely sensed-derived forest cover loss and biomass carbon density data. Lidar data were used as a surrogate for NFI plot measurements to estimate carbon stocks and AGC loss based on forest type and activity data derived using time-series multispectral imagery. Specifically, DRC forest type and loss from the FACET (Forêts d’Afrique Centrale Evaluées par Télédétection) product, created using Landsat data, were related to carbon data derived from the Geoscience Laser Altimeter System (GLAS). Validation data for FACET forest area loss were created at a 30-m spatial resolution and compared to the 60-m spatial resolution FACET map. We produced two gross AGC loss estimates for the DRC for the last decade (2000–2010): a map-scale estimate (53.3 ± 9.8 Tg C yr −1 ) accounting for whole-pixel classification errors in the 60-m resolution FACET forest cover change product, and a sub-grid estimate (72.1 ± 12.7 Tg C yr −1 ) that took into account 60-m cells that experienced partial forest loss. Our sub-grid forest cover and AGC loss estimates, which included smaller-scale forest disturbances, exceed published assessments. Results raise the issue of scale in forest cover change mapping and validation, and subsequent impacts on remotely sensed carbon stock change estimation, particularly for smallholder dominated systems such as the DRC. (letter)

  11. Astrophysical Gyrokinetics: Kinetic and Fluid Turbulent Cascades In Magentized Weakly Collisional Plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Schekochihin, A. A.; Cowley, S. C.; Dorland, W.; Hammett, G. W.; Howes, G. G.; Quataert, E.; Tatsuno, T.

    2009-04-23

    This paper presents a theoretical framework for understanding plasma turbulence in astrophysical plasmas. It is motivated by observations of electromagnetic and density fluctuations in the solar wind, interstellar medium and galaxy clusters, as well as by models of particle heating in accretion disks. All of these plasmas and many others have turbulentmotions at weakly collisional and collisionless scales. The paper focuses on turbulence in a strong mean magnetic field. The key assumptions are that the turbulent fluctuations are small compared to the mean field, spatially anisotropic with respect to it and that their frequency is low compared to the ion cyclotron frequency. The turbulence is assumed to be forced at some system-specific outer scale. The energy injected at this scale has to be dissipated into heat, which ultimately cannot be accomplished without collisions. A kinetic cascade develops that brings the energy to collisional scales both in space and velocity. The nature of the kinetic cascade in various scale ranges depends on the physics of plasma fluctuations that exist there. There are four special scales that separate physically distinct regimes: the electron and ion gyroscales, the mean free path and the electron diffusion scale. In each of the scale ranges separated by these scales, the fully kinetic problem is systematically reduced to a more physically transparent and computationally tractable system of equations, which are derived in a rigorous way. In the "inertial range" above the ion gyroscale, the kinetic cascade separates into two parts: a cascade of Alfvenic fluctuations and a passive cascade of density and magnetic-fieldstrength fluctuations. The former are governed by the Reduced Magnetohydrodynamic (RMHD) equations at both the collisional and collisionless scales; the latter obey a linear kinetic equation along the (moving) field lines associated with the Alfvenic component (in the collisional limit, these compressive fluctuations

  12. Astrophysical Gyrokinetics: Kinetic and Fluid Turbulent Cascades In Magnetized Weakly Collisional Plasmas

    International Nuclear Information System (INIS)

    Schekochihin, A.A.; Cowley, S.C.; Dorland, W.; Hammett, G.W.; Howes, G.G.; Quataert, E.; Tatsuno, T.

    2009-01-01

    This paper presents a theoretical framework for understanding plasma turbulence in astrophysical plasmas. It is motivated by observations of electromagnetic and density fluctuations in the solar wind, interstellar medium and galaxy clusters, as well as by models of particle heating in accretion disks. All of these plasmas and many others have turbulent motions at weakly collisional and collisionless scales. The paper focuses on turbulence in a strong mean magnetic field. The key assumptions are that the turbulent fluctuations are small compared to the mean field, spatially anisotropic with respect to it and that their frequency is low compared to the ion cyclotron frequency. The turbulence is assumed to be forced at some system-specific outer scale. The energy injected at this scale has to be dissipated into heat, which ultimately cannot be accomplished without collisions. A kinetic cascade develops that brings the energy to collisional scales both in space and velocity. The nature of the kinetic cascade in various scale ranges depends on the physics of plasma fluctuations that exist there. There are four special scales that separate physically distinct regimes: the electron and ion gyroscales, the mean free path and the electron diffusion scale. In each of the scale ranges separated by these scales, the fully kinetic problem is systematically reduced to a more physically transparent and computationally tractable system of equations, which are derived in a rigorous way. In the 'inertial range' above the ion gyroscale, the kinetic cascade separates into two parts: a cascade of Alfvenic fluctuations and a passive cascade of density and magnetic-field strength fluctuations. The former are governed by the Reduced Magnetohydrodynamic (RMHD) equations at both the collisional and collisionless scales; the latter obey a linear kinetic equation along the (moving) field lines associated with the Alfvenic component (in the collisional limit, these compressive fluctuations

  13. Correction of Excessive Precipitation over Steep Mountains in a General Circulation Model (GCM)

    Science.gov (United States)

    Chao, Winston C.

    2012-01-01

    Excessive precipitation over steep and high mountains (EPSM) is a well-known problem in GCMs and regional climate models even at a resolution as high as 19km. The affected regions include the Andes, the Himalayas, Sierra Madre, New Guinea and others. This problem also shows up in some data assimilation products. Among the possible causes investigated in this study, we found that the most important one, by far, is a missing upward transport of heat out of the boundary layer due to the vertical circulations forced by the daytime subgrid-scale upslope winds, which in turn is forced by heated boundary layer on the slopes. These upslope winds are associated with large subgrid-scale topographic variance, which is found over steep mountains. Without such subgrid-scale heat ventilation, the resolvable-scale upslope flow in the boundary layer generated by surface sensible heat flux along the mountain slopes is excessive. Such an excessive resolvable-scale upslope flow in the boundary layer combined with the high moisture content in the boundary layer results in excessive moisture transport toward mountaintops, which in turn gives rise to excessive precipitation over the affected regions. We have parameterized the effects of subgrid-scale heated-slope-induced vertical circulation (SHVC) by removing heat from the boundary layer and depositing it in the layers higher up when topographic variance exceeds a critical value. Test results using NASA/Goddard's GEOS-5 GCM have shown that the EPSM problem is largely solved.

  14. Numerical aspects of drift kinetic turbulence: Ill-posedness, regularization and a priori estimates of sub-grid-scale terms

    KAUST Repository

    Samtaney, Ravi

    2012-01-01

    We present a numerical method based on an Eulerian approach to solve the Vlasov-Poisson system for 4D drift kinetic turbulence. Our numerical approach uses a conservative formulation with high-order (fourth and higher) evaluation of the numerical fluxes coupled with a fourth-order accurate Poisson solver. The fluxes are computed using a low-dissipation high-order upwind differencing method or a tuned high-resolution finite difference method with no numerical dissipation. Numerical results are presented for the case of imposed ion temperature and density gradients. Different forms of controlled regularization to achieve a well-posed system are used to obtain convergent resolved simulations. The regularization of the equations is achieved by means of a simple collisional model, by inclusion of an ad-hoc hyperviscosity or artificial viscosity term or by implicit dissipation in upwind schemes. Comparisons between the various methods and regularizations are presented. We apply a filtering formalism to the Vlasov equation and derive sub-grid-scale (SGS) terms analogous to the Reynolds stress terms in hydrodynamic turbulence. We present a priori quantifications of these SGS terms in resolved simulations of drift-kinetic turbulence by applying a sharp filter. © 2012 IOP Publishing Ltd.

  15. Numerical aspects of drift kinetic turbulence: ill-posedness, regularization and a priori estimates of sub-grid-scale terms

    International Nuclear Information System (INIS)

    Samtaney, Ravi

    2012-01-01

    We present a numerical method based on an Eulerian approach to solve the Vlasov-Poisson system for 4D drift kinetic turbulence. Our numerical approach uses a conservative formulation with high-order (fourth and higher) evaluation of the numerical fluxes coupled with a fourth-order accurate Poisson solver. The fluxes are computed using a low-dissipation high-order upwind differencing method or a tuned high-resolution finite difference method with no numerical dissipation. Numerical results are presented for the case of imposed ion temperature and density gradients. Different forms of controlled regularization to achieve a well-posed system are used to obtain convergent resolved simulations. The regularization of the equations is achieved by means of a simple collisional model, by inclusion of an ad-hoc hyperviscosity or artificial viscosity term or by implicit dissipation in upwind schemes. Comparisons between the various methods and regularizations are presented. We apply a filtering formalism to the Vlasov equation and derive sub-grid-scale (SGS) terms analogous to the Reynolds stress terms in hydrodynamic turbulence. We present a priori quantifications of these SGS terms in resolved simulations of drift-kinetic turbulence by applying a sharp filter.

  16. Physical modelling of interactions between interfaces and turbulence; Modelisation physique des interactions entre interfaces et turbulence

    Energy Technology Data Exchange (ETDEWEB)

    Toutant, A

    2006-12-15

    The complex interactions between interfaces and turbulence strongly impact the flow properties. Unfortunately, Direct Numerical Simulations (DNS) have to entail a number of degrees of freedom proportional to the third power of the Reynolds number to correctly describe the flow behaviour. This extremely hard constraint makes it impossible to use DNS for industrial applications. Our strategy consists in using and improving DNS method in order to develop the Interfaces and Sub-grid Scales concept. ISS is a two-phase equivalent to the single-phase Large Eddy Simulation (LES) concept. The challenge of ISS is to integrate the two-way coupling phenomenon into sub-grid models. Applying a space filter, we have exhibited correlations or sub-grid terms that require closures. We have shown that, in two-phase flows, the presence of a discontinuity leads to specific sub-grid terms. Comparing the maximum of the norm of the sub-grid terms with the maximum of the norm of the advection tensor, we have found that sub-grid terms related to interfacial forces and viscous effect are negligible. Consequently, in the momentum balance, only the sub-grid terms related to inertia have to be closed. Thanks to a priori tests performed on several DNS data, we demonstrate that the scale similarity hypothesis, reinterpreted near discontinuity, provides sub-grid models that take into account the two-way coupling phenomenon. These models correspond to the first step of our work. Indeed, in this step, interfaces are smooth and, interactions between interfaces and turbulence occur in a transition zone where each physical variable varies sharply but continuously. The next challenge has been to determine the jump conditions across the sharp equivalent interface corresponding to the sub-grid models of the transition zone. We have used the matched asymptotic expansion method to obtain the jump conditions. The first tests on the velocity of the sharp equivalent interface are very promising (author)

  17. Continuum-Kinetic Models and Numerical Methods for Multiphase Applications

    Science.gov (United States)

    Nault, Isaac Michael

    This thesis presents a continuum-kinetic approach for modeling general problems in multiphase solid mechanics. In this context, a continuum model refers to any model, typically on the macro-scale, in which continuous state variables are used to capture the most important physics: conservation of mass, momentum, and energy. A kinetic model refers to any model, typically on the meso-scale, which captures the statistical motion and evolution of microscopic entitites. Multiphase phenomena usually involve non-negligible micro or meso-scopic effects at the interfaces between phases. The approach developed in the thesis attempts to combine the computational performance benefits of a continuum model with the physical accuracy of a kinetic model when applied to a multiphase problem. The approach is applied to modeling a single particle impact in Cold Spray, an engineering process that intimately involves the interaction of crystal grains with high-magnitude elastic waves. Such a situation could be classified a multiphase application due to the discrete nature of grains on the spatial scale of the problem. For this application, a hyper elasto-plastic model is solved by a finite volume method with approximate Riemann solver. The results of this model are compared for two types of plastic closure: a phenomenological macro-scale constitutive law, and a physics-based meso-scale Crystal Plasticity model.

  18. Influence of Sub-grid-Scale Isentropic Transports on McRAS Evaluations using ARM-CART SCM Datasets

    Science.gov (United States)

    Sud, Y. C.; Walker, G. K.; Tao, W. K.

    2004-01-01

    In GCM-physics evaluations with the currently available ARM-CART SCM datasets, McRAS produced very similar character of near surface errors of simulated temperature and humidity containing typically warm and moist biases near the surface and cold and dry biases aloft. We argued it must have a common cause presumably rooted in the model physics. Lack of vertical adjustment of horizontal transport was thought to be a plausible source. Clearly, debarring such a freedom would force the incoming air to diffuse into the grid-cell which would naturally bias the surface air to become warm and moist while the upper air becomes cold and dry, a characteristic feature of McRAS biases. Since, the errors were significantly larger in the two winter cases that contain potentially more intense episodes of cold and warm advective transports, it further reaffirmed our argument and provided additional motivation to introduce the corrections. When the horizontal advective transports were suitably modified to allow rising and/or sinking following isentropic pathways of subgrid scale motions, the outcome was to cool and dry (or warm and moisten) the lower (or upper) levels. Ever, crude approximations invoking such a correction reduced the temperature and humidity biases considerably. The tests were performed on all the available ARM-CART SCM cases with consistent outcome. With the isentropic corrections implemented through two different numerical approximations, virtually similar benefits were derived further confirming the robustness of our inferences. These results suggest the need for insentropic advective transport adjustment in a GCM due to subgrid scale motions.

  19. Modeling lightning-NOx chemistry on a sub-grid scale in a global chemical transport model

    Directory of Open Access Journals (Sweden)

    A. Gressent

    2016-05-01

    Full Text Available For the first time, a plume-in-grid approach is implemented in a chemical transport model (CTM to parameterize the effects of the nonlinear reactions occurring within high concentrated NOx plumes from lightning NOx emissions (LNOx in the upper troposphere. It is characterized by a set of parameters including the plume lifetime, the effective reaction rate constant related to NOx–O3 chemical interactions, and the fractions of NOx conversion into HNO3 within the plume. Parameter estimates were made using the Dynamical Simple Model of Atmospheric Chemical Complexity (DSMACC box model, simple plume dispersion simulations, and the 3-D Meso-NH (non-hydrostatic mesoscale atmospheric model. In order to assess the impact of the LNOx plume approach on the NOx and O3 distributions on a large scale, simulations for the year 2006 were performed using the GEOS-Chem global model with a horizontal resolution of 2° × 2.5°. The implementation of the LNOx parameterization implies an NOx and O3 decrease on a large scale over the region characterized by a strong lightning activity (up to 25 and 8 %, respectively, over central Africa in July and a relative increase downwind of LNOx emissions (up to 18 and 2 % for NOx and O3, respectively, in July. The calculated variability in NOx and O3 mixing ratios around the mean value according to the known uncertainties in the parameter estimates is at a maximum over continental tropical regions with ΔNOx [−33.1, +29.7] ppt and ΔO3 [−1.56, +2.16] ppb, in January, and ΔNOx [−14.3, +21] ppt and ΔO3 [−1.18, +1.93] ppb, in July, mainly depending on the determination of the diffusion properties of the atmosphere and the initial NO mixing ratio injected by lightning. This approach allows us (i to reproduce a more realistic lightning NOx chemistry leading to better NOx and O3 distributions on the large scale and (ii to focus on other improvements to reduce remaining uncertainties from processes

  20. Kinetic Modifications to MHD Phenomena in Toroidal Plasmas

    International Nuclear Information System (INIS)

    Cheng, C.Z.; Gorelenkov, N.N.; Kramer, G.J.; Fredrickson, E.

    2004-01-01

    Particle kinetic effects involving small spatial and fast temporal scales can strongly affect MHD phenomena and the long time behavior of plasmas. In particular, kinetic effects such as finite ion gyroradii, trapped particle dynamics, and wave-particle resonances have been shown to greatly modify the stability of MHD modes. Here, the kinetic effects of trapped electron dynamics and finite ion gyroradii are shown to have a large stabilizing effect on kinetic ballooning modes in low aspect ratio toroidal plasmas such as NSTX [National Spherical Torus Experiment]. We also present the analysis of Toroidicity-induced Alfven Eigenmodes (TAEs) destabilized by fast neutral-beam injected ions in NSTX experiments and TAE stability in ITER due to alpha-particles and MeV negatively charged neutral beam injected ions

  1. Kinetic parameters from thermogravimetric analysis

    Science.gov (United States)

    Kiefer, Richard L.

    1993-01-01

    High performance polymeric materials are finding increased use in aerospace applications. Proposed high speed aircraft will require materials to withstand high temperatures in an oxidative atmosphere for long periods of time. It is essential that accurate estimates be made of the performance of these materials at the given conditions of temperature and time. Temperatures of 350 F (177 C) and times of 60,000 to 100,000 hours are anticipated. In order to survey a large number of high performance polymeric materials on a reasonable time scale, some form of accelerated testing must be performed. A knowledge of the rate of a process can be used to predict the lifetime of that process. Thermogravimetric analysis (TGA) has frequently been used to determine kinetic information for degradation reactions in polymeric materials. Flynn and Wall studied a number of methods for using TGA experiments to determine kinetic information in polymer reactions. Kinetic parameters, such as the apparent activation energy and the frequency factor, can be determined in such experiments. Recently, researchers at the McDonnell Douglas Research Laboratory suggested that a graph of the logarithm of the frequency factor against the apparent activation energy can be used to predict long-term thermo-oxidative stability for polymeric materials. Such a graph has been called a kinetic map. In this study, thermogravimetric analyses were performed in air to study the thermo-oxidative degradation of several high performance polymers and to plot their kinetic parameters on a kinetic map.

  2. Photocatalytic mineralization of commercial herbicides in a pilot-scale solar CPC reactor: photoreactor modeling and reaction kinetics constants independent of radiation field.

    Science.gov (United States)

    Colina-Márquez, Jose; Machuca-Martínez, Fiderman; Li Puma, Gianluca

    2009-12-01

    The six-flux absorption-scattering model (SFM) of the radiation field in the photoreactor, combined with reaction kinetics and fluid-dynamic models, has proved to be suitable to describe the degradation of water pollutants in heterogeneous photocatalytic reactors, combining simplicity and accuracy. In this study, the above approach was extended to model the photocatalytic mineralization of a commercial herbicides mixture (2,4-D, diuron, and ametryne used in Colombian sugar cane crops) in a solar, pilot-scale, compound parabolic collector (CPC) photoreactor using a slurry suspension of TiO(2). The ray-tracing technique was used jointly with the SFM to determine the direction of both the direct and diffuse solar photon fluxes and the spatial profile of the local volumetric rate of photon absorption (LVRPA) in the CPC reactor. Herbicides mineralization kinetics with explicit photon absorption effects were utilized to remove the dependence of the observed rate constants from the reactor geometry and radiation field in the photoreactor. The results showed that the overall model fitted the experimental data of herbicides mineralization in the solar CPC reactor satisfactorily for both cloudy and sunny days. Using the above approach kinetic parameters independent of the radiation field in the reactor can be estimated directly from the results of experiments carried out in a solar CPC reactor. The SFM combined with reaction kinetics and fluid-dynamic models proved to be a simple, but reliable model, for solar photocatalytic applications.

  3. Process Simulation for the Design and Scale Up of Heterogeneous Catalytic Process: Kinetic Modelling Issues

    Directory of Open Access Journals (Sweden)

    Antonio Tripodi

    2017-05-01

    Full Text Available Process simulation represents an important tool for plant design and optimization, either applied to well established or to newly developed processes. Suitable thermodynamic packages should be selected in order to properly describe the behavior of reactors and unit operations and to precisely define phase equilibria. Moreover, a detailed and representative kinetic scheme should be available to predict correctly the dependence of the process on its main variables. This review points out some models and methods for kinetic analysis specifically applied to the simulation of catalytic processes, as a basis for process design and optimization. Attention is paid also to microkinetic modelling and to the methods based on first principles, to elucidate mechanisms and independently calculate thermodynamic and kinetic parameters. Different case studies support the discussion. At first, we have selected two basic examples from the industrial chemistry practice, e.g., ammonia and methanol synthesis, which may be described through a relatively simple reaction pathway and the relative available kinetic scheme. Then, a more complex reaction network is deeply discussed to define the conversion of bioethanol into syngas/hydrogen or into building blocks, such as ethylene. In this case, lumped kinetic schemes completely fail the description of process behavior. Thus, in this case, more detailed—e.g., microkinetic—schemes should be available to implement into the simulator. However, the correct definition of all the kinetic data when complex microkinetic mechanisms are used, often leads to unreliable, highly correlated parameters. In such cases, greater effort to independently estimate some relevant kinetic/thermodynamic data through Density Functional Theory (DFT/ab initio methods may be helpful to improve process description.

  4. Collaborative Research: Quantifying the Uncertainties of Aerosol Indirect Effects and Impacts on Decadal-Scale Climate Variability in NCAR CAM5 and CESM1

    Energy Technology Data Exchange (ETDEWEB)

    Nenes, Athanasios [Georgia Inst. of Technology, Atlanta, GA (United States)

    2017-06-23

    The goal of this proposed project is to assess the climatic importance and sensitivity of aerosol indirect effect (AIE) to cloud and aerosol processes and feedbacks, which include organic aerosol hygroscopicity, cloud condensation nuclei (CCN) activation kinetics, Giant CCN, cloud-scale entrainment, ice nucleation in mixed-phase and cirrus clouds, and treatment of subgrid variability of vertical velocity. A key objective was to link aerosol, cloud microphysics and dynamics feedbacks in CAM5 with a suite of internally consistent and integrated parameterizations that provide the appropriate degrees of freedom to capture the various aspects of the aerosol indirect effect. The proposal integrated new parameterization elements into the cloud microphysics, moist turbulence and aerosol modules used by the NCAR Community Atmospheric Model version 5 (CAM5). The CAM5 model was then used to systematically quantify the uncertainties of aerosol indirect effects through a series of sensitivity tests with present-day and preindustrial aerosol emissions. New parameterization elements were developed as a result of these efforts, and new diagnostic tools & methodologies were also developed to quantify the impacts of aerosols on clouds and climate within fully coupled models. Observations were used to constrain key uncertainties in the aerosol-cloud links. Advanced sensitivity tools were developed and implements to probe the drivers of cloud microphysical variability with unprecedented temporal and spatial scale. All these results have been published in top and high impact journals (or are in the final stages of publication). This proposal has also supported a number of outstanding graduate students.

  5. Turbulent precipitation of uranium oxalate in a vortex reactor - experimental study and modelling; Precipitation turbulente d'oxalate d'uranium en reacteur vortex - etude experimentale et modelisation

    Energy Technology Data Exchange (ETDEWEB)

    Sommer de Gelicourt, Y

    2004-03-15

    Industrial oxalic precipitation processed in an un-baffled magnetically stirred tank, the Vortex Reactor, has been studied with uranium simulating plutonium. Modelling precipitation requires a mixing model for the continuous liquid phase and the solution of population balance for the dispersed solid phase. Being chemical reaction influenced by the degree of mixing at molecular scale, that commercial CFD code does not resolve, a sub-grid scale model has been introduced: the finite mode probability density functions, and coupled with a model for the liquid energy spectrum. Evolution of the dispersed phase has been resolved by the quadrature method of moments, first used here with experimental nucleation and growth kinetics, and an aggregation kernel based on local shear rate. The promising abilities of this local approach, without any fitting constant, are strengthened by the similarity between experimental results and simulations. (author)

  6. Turbulent precipitation of uranium oxalate in a vortex reactor - experimental study and modelling; Precipitation turbulente d'oxalate d'uranium en reacteur vortex - etude experimentale et modelisation

    Energy Technology Data Exchange (ETDEWEB)

    Sommer de Gelicourt, Y

    2004-03-15

    Industrial oxalic precipitation processed in an un-baffled magnetically stirred tank, the Vortex Reactor, has been studied with uranium simulating plutonium. Modelling precipitation requires a mixing model for the continuous liquid phase and the solution of population balance for the dispersed solid phase. Being chemical reaction influenced by the degree of mixing at molecular scale, that commercial CFD code does not resolve, a sub-grid scale model has been introduced: the finite mode probability density functions, and coupled with a model for the liquid energy spectrum. Evolution of the dispersed phase has been resolved by the quadrature method of moments, first used here with experimental nucleation and growth kinetics, and an aggregation kernel based on local shear rate. The promising abilities of this local approach, without any fitting constant, are strengthened by the similarity between experimental results and simulations. (author)

  7. Turbulent precipitation of uranium oxalate in a vortex reactor - experimental study and modelling

    International Nuclear Information System (INIS)

    Sommer de Gelicourt, Y.

    2004-03-01

    Industrial oxalic precipitation processed in an un-baffled magnetically stirred tank, the Vortex Reactor, has been studied with uranium simulating plutonium. Modelling precipitation requires a mixing model for the continuous liquid phase and the solution of population balance for the dispersed solid phase. Being chemical reaction influenced by the degree of mixing at molecular scale, that commercial CFD code does not resolve, a sub-grid scale model has been introduced: the finite mode probability density functions, and coupled with a model for the liquid energy spectrum. Evolution of the dispersed phase has been resolved by the quadrature method of moments, first used here with experimental nucleation and growth kinetics, and an aggregation kernel based on local shear rate. The promising abilities of this local approach, without any fitting constant, are strengthened by the similarity between experimental results and simulations. (author)

  8. Kinetic energy and scalar spectra in high Rayleigh number axially homogeneous buoyancy driven turbulence

    Science.gov (United States)

    Pawar, Shashikant S.; Arakeri, Jaywant H.

    2016-06-01

    Kinetic energy and scalar spectra from the measurements in high Rayleigh number axially homogeneous buoyancy driven turbulent flow are presented. Kinetic energy and concentration (scalar) spectra are obtained from the experiments wherein density difference is created using brine and fresh water and temperature spectra are obtained from the experiments in which heat is used. Scaling of the frequency spectra of lateral and longitudinal velocity near the tube axis is closer to the Kolmogorov-Obukhov scaling, while the scalar spectra show some evidence of dual scaling, Bolgiano-Obukhov scaling followed by Obukhov-Corrsin scaling. These scalings are also observed in the corresponding second order spatial structure functions of velocity and concentration fluctuations.

  9. Gyrocenter-gauge kinetic theory

    International Nuclear Information System (INIS)

    Qin, H.; Tang, W.M.; Lee, W.W.

    2000-01-01

    Gyrocenter-gauge kinetic theory is developed as an extension of the existing gyrokinetic theories. In essence, the formalism introduced here is a kinetic description of magnetized plasmas in the gyrocenter coordinates which is fully equivalent to the Vlasov-Maxwell system in the particle coordinates. In particular, provided the gyroradius is smaller than the scale-length of the magnetic field, it can treat high frequency range as well as the usual low frequency range normally associated with gyrokinetic approaches. A significant advantage of this formalism is that it enables the direct particle-in-cell simulations of compressional Alfven waves for MHD applications and of RF waves relevant to plasma heating in space and laboratory plasmas. The gyrocenter-gauge kinetic susceptibility for arbitrary wavelength and arbitrary frequency electromagnetic perturbations in a homogeneous magnetized plasma is shown to recover exactly the classical result obtained by integrating the Vlasov-Maxwell system in the particle coordinates. This demonstrates that all the waves supported by the Vlasov-Maxwell system can be studied using the gyrocenter-gauge kinetic model in the gyrocenter coordinates. This theoretical approach is so named to distinguish it from the existing gyrokinetic theory, which has been successfully developed and applied to many important low-frequency and long parallel wavelength problems, where the conventional meaning of gyrokinetic has been standardized. Besides the usual gyrokinetic distribution function, the gyrocenter-gauge kinetic theory emphasizes as well the gyrocenter-gauge distribution function, which sometimes contains all the physics of the problems being studied, and whose importance has not been realized previously. The gyrocenter-gauge distribution function enters Maxwell's equations through the pull-back transformation of the gyrocenter transformation, which depends on the perturbed fields. The efficacy of the gyrocenter-gauge kinetic approach is

  10. Chemistry resolved kinetic flow modeling of TATB based explosives

    Science.gov (United States)

    Vitello, Peter; Fried, Laurence E.; William, Howard; Levesque, George; Souers, P. Clark

    2012-03-01

    Detonation waves in insensitive, TATB-based explosives are believed to have multiple time scale regimes. The initial burn rate of such explosives has a sub-microsecond time scale. However, significant late-time slow release in energy is believed to occur due to diffusion limited growth of carbon. In the intermediate time scale concentrations of product species likely change from being in equilibrium to being kinetic rate controlled. We use the thermo-chemical code CHEETAH linked to an ALE hydrodynamics code to model detonations. We term our model chemistry resolved kinetic flow, since CHEETAH tracks the time dependent concentrations of individual species in the detonation wave and calculates EOS values based on the concentrations. We present here two variants of our new rate model and comparison with hot, ambient, and cold experimental data for PBX 9502.

  11. Dynamic Modeling of Cell-Free Biochemical Networks Using Effective Kinetic Models

    Directory of Open Access Journals (Sweden)

    Joseph A. Wayman

    2015-03-01

    Full Text Available Cell-free systems offer many advantages for the study, manipulation and modeling of metabolism compared to in vivo processes. Many of the challenges confronting genome-scale kinetic modeling can potentially be overcome in a cell-free system. For example, there is no complex transcriptional regulation to consider, transient metabolic measurements are easier to obtain, and we no longer have to consider cell growth. Thus, cell-free operation holds several significant advantages for model development, identification and validation. Theoretically, genome-scale cell-free kinetic models may be possible for industrially important organisms, such as E. coli, if a simple, tractable framework for integrating allosteric regulation with enzyme kinetics can be formulated. Toward this unmet need, we present an effective biochemical network modeling framework for building dynamic cell-free metabolic models. The key innovation of our approach is the integration of simple effective rules encoding complex allosteric regulation with traditional kinetic pathway modeling. We tested our approach by modeling the time evolution of several hypothetical cell-free metabolic networks. We found that simple effective rules, when integrated with traditional enzyme kinetic expressions, captured complex allosteric patterns such as ultrasensitivity or non-competitive inhibition in the absence of mechanistic information. Second, when integrated into network models, these rules captured classic regulatory patterns such as product-induced feedback inhibition. Lastly, we showed, at least for the network architectures considered here, that we could simultaneously estimate kinetic parameters and allosteric connectivity from synthetic data starting from an unbiased collection of possible allosteric structures using particle swarm optimization. However, when starting with an initial population that was heavily enriched with incorrect structures, our particle swarm approach could converge

  12. Experimental kinetic study and modeling of calcium oxide carbonation

    International Nuclear Information System (INIS)

    Rouchon, L.

    2012-01-01

    Anthropogenic carbon dioxide (CO 2 ) emissions, major contributors to the greenhouse effect, are considered as the main cause of global warming. So, decrease of CO 2 emitted by large industrial combustion sources or power plants, is an important scientific goal. One of the approaches is based on CO 2 separation and capture from flue gas, followed by sequestration in a wide range of geological formations. In this aim, CO 2 is captured by sorbents like calcium oxide (CaO) in multi-cycle process of carbonation/de-carbonation. However, it was shown that the most important limitations of such process are related to the reversibility of reaction. CaO rapidly loses activity towards CO 2 , so the maximum extent of carbonation decreases as long as the number of cycles increases. In order to well understand the processes and parameters influencing the capture capacity of CaO-based sorbents, it appears important to get details on the kinetic law governing the reaction, which have not been really studied up to now. To investigate this reaction, CaO carbonation kinetics was followed by means of thermogravimetric analysis (TGA) on divided materials. Special care was given to the validation of the usual kinetic assumptions such as steady state and rate-determining step assumptions. The aim was to obtain a model describing the reaction in order to explain the influence of intensive variables such as carbonation temperature and CO 2 partial pressure. TGA curves obtained under isothermal and isobaric conditions showed an induction period linked to the nucleation process and a strong slowing down of the reaction rate once a given fractional conversion was reached. Both phenomena were observed to depend on carbonation temperature and CO 2 partial pressure. To explain these results, the evolution of texture and microstructure of the solid during the reaction was regarded as essential. Reaction at the grain scale induces a volume increase from CaO to CaCO 3 which causes a change in the

  13. Contribution to the modelling and multi-scale numerical simulation of kinetic electron transport in hot plasma

    International Nuclear Information System (INIS)

    Mallet, J.

    2012-01-01

    This research thesis stands at the crossroad of plasma physics, numerical analysis and applied mathematics. After an introduction presenting the problematic and previous works, the author recalls some basis of classical kinetic models for plasma physics (collisionless kinetic theory and Vlasov equation, collisional kinetic theory with the non-relativistic Maxwell-Fokker-Plansk system) and describes the fundamental properties of the collision operators such as conservation laws, entropy dissipation, and so on. He reports the improvement of a deterministic numerical method to solve the non-relativistic Vlasov-Maxwell system coupled with Fokker-Planck-Landau type operators. The efficiency of each high order scheme is compared. The evolution of the hot spot is studied in the case of thermonuclear reactions in the centre of the pellet in a weakly collisional regime. The author focuses on the simulation of the kinetic electron collisional transport in inertial confinement fusion (ICF) between the laser absorption zone and the ablation front. A new approach is then introduced to reduce the huge computation time obtained with kinetic models. In a last chapter, the kinetic continuous equation in spherical domain is described and a new model is chosen for collisions in order to preserve collision properties

  14. Fisher information, kinetic energy and uncertainty relation inequalities

    International Nuclear Information System (INIS)

    Luo Shunlong

    2002-01-01

    By interpolating between Fisher information and mechanical kinetic energy, we introduce a general notion of kinetic energy with respect to a parameter of Schroedinger wavefunctions from a statistical inference perspective. Kinetic energy is the sum of Fisher information and an integral of a parametrized analogue of quantum mechanical current density related to phase. A family of integral inequalities concerning kinetic energy and moments are established, among which the Cramer-Rao inequality and the Weyl-Heisenberg inequality, are special cases. In particular, the integral inequalities involving the negative order moments are relevant to the study of electron systems. Moreover, by specifying the parameter to a scale, we obtain a family of inequalities of uncertainty relation type which incorporate the position and momentum observables symmetrically in a single quantity. (author)

  15. Growth kinetics and scale-up of Agrobacterium tumefaciens.

    Science.gov (United States)

    Leth, Ingrid K; McDonald, Karen A

    2017-06-01

    Production of recombinant proteins in plants through Agrobacterium-mediated transient expression is a promising method of producing human therapeutic proteins, vaccines, and commercial enzymes. This process has been shown to be viable at a large scale and involves growing large quantities of wild-type plants and infiltrating the leaf tissue with a suspension of Agrobacterium tumefaciens bearing the genes of interest. This study examined one of the steps in this process that had not yet been optimized: the scale-up of Agrobacterium production to sufficient volumes for large-scale plant infiltration. Production of Agrobacterium strain C58C1 pTFS40 was scaled up from shake flasks (50-100 mL) to benchtop (5 L) scale with three types of media: Lysogeny broth (LB), yeast extract peptone (YEP) media, and a sucrose-based defined media. The maximum specific growth rate (μ max ) of the strain in the three types of media was 0.46 ± 0.04 h -1 in LB media, 0.43 ± 0.03 h -1 in YEP media, and 0.27 ± 0.01 h -1 in defined media. The maximum biomass concentration reached at this scale was 2.0 ± 0.1, 2.8 ± 0.1, and 2.6 ± 0.1 g dry cell weight (DCW)/L for the three media types. Production was successfully scaled up to a 100-L working volume reactor with YEP media, using k L a as the scale-up parameter.

  16. Optimization of the Kinetic Activation-Relaxation Technique, an off-lattice and self-learning kinetic Monte-Carlo method

    International Nuclear Information System (INIS)

    Joly, Jean-François; Béland, Laurent Karim; Brommer, Peter; Mousseau, Normand; El-Mellouhi, Fedwa

    2012-01-01

    We present two major optimizations for the kinetic Activation-Relaxation Technique (k-ART), an off-lattice self-learning kinetic Monte Carlo (KMC) algorithm with on-the-fly event search THAT has been successfully applied to study a number of semiconducting and metallic systems. K-ART is parallelized in a non-trivial way: A master process uses several worker processes to perform independent event searches for possible events, while all bookkeeping and the actual simulation is performed by the master process. Depending on the complexity of the system studied, the parallelization scales well for tens to more than one hundred processes. For dealing with large systems, we present a near order 1 implementation. Techniques such as Verlet lists, cell decomposition and partial force calculations are implemented, and the CPU time per time step scales sublinearly with the number of particles, providing an efficient use of computational resources.

  17. Improving the representation of river-groundwater interactions in land surface modeling at the regional scale: Observational evidence and parameterization applied in the Community Land Model

    KAUST Repository

    Zampieri, Matteo

    2012-02-01

    Groundwater is an important component of the hydrological cycle, included in many land surface models to provide a lower boundary condition for soil moisture, which in turn plays a key role in the land-vegetation-atmosphere interactions and the ecosystem dynamics. In regional-scale climate applications land surface models (LSMs) are commonly coupled to atmospheric models to close the surface energy, mass and carbon balance. LSMs in these applications are used to resolve the momentum, heat, water and carbon vertical fluxes, accounting for the effect of vegetation, soil type and other surface parameters, while lack of adequate resolution prevents using them to resolve horizontal sub-grid processes. Specifically, LSMs resolve the large-scale runoff production associated with infiltration excess and sub-grid groundwater convergence, but they neglect the effect from loosing streams to groundwater. Through the analysis of observed data of soil moisture obtained from the Oklahoma Mesoscale Network stations and land surface temperature derived from MODIS we provide evidence that the regional scale soil moisture and surface temperature patterns are affected by the rivers. This is demonstrated on the basis of simulations from a land surface model (i.e., Community Land Model - CLM, version 3.5). We show that the model cannot reproduce the features of the observed soil moisture and temperature spatial patterns that are related to the underlying mechanism of reinfiltration of river water to groundwater. Therefore, we implement a simple parameterization of this process in CLM showing the ability to reproduce the soil moisture and surface temperature spatial variabilities that relate to the river distribution at regional scale. The CLM with this new parameterization is used to evaluate impacts of the improved representation of river-groundwater interactions on the simulated water cycle parameters and the surface energy budget at the regional scale. © 2011 Elsevier B.V.

  18. The Role of Kinetic Alfven Waves in Plasma Transport in an Ion-scale Flux Rope

    Science.gov (United States)

    Tang, B.; Li, W.; Wang, C.; Dai, L.

    2017-12-01

    Magnetic flux ropes, if generated by multiply X-line reconnections, would be born as a crater type one, meaning the plasma density within is relatively high. They will then evolve into typical flux ropes as plasma are transported away along the magnetic field lines [Zhang et al., 2010]. In this study, we report an ion-scale flux rope observed by MMS on November 28, 2016, which is accompanied by strong kinetic Alfven waves (KAW). The related wave parallel electric field can effectively accelerate electrons inside the flux rope by Landau resonance, resulting into a significant decrease of the electron at 90° pitch angle. The change of electron pitch angle distribution would cause the rapid plasma transport along the magnetic field lines, and help the flux rope evolve into a strong magnetic core in a short time. This wave-particle interaction would be a candidate mechanism to explain the rareness of crater flux ropes in reality.

  19. Beam tracking strategies for studies of kinetic scales in the solar wind with THOR-CSW

    Science.gov (United States)

    De Keyser, Johan; Lavraud, Benoit; Neefs, Eddy; Berkenbosch, Sophie; Anciaux, Michel; Maggiolo, Romain

    2016-04-01

    Modern plasma spectrometers for monitoring the solar wind attempt to intelligently track the energy and direction of the solar wind beam in order to obtain solar wind velocity distributions more efficiently. Such beam tracking strategies offer some benefits, but also have their limitations and drawbacks. Benefits include an improved resolution and/or a faster velocity distribution function acquisition time. Limitations are due to instrument characteristics that tend to be optimized for a particular range of particle energies and arrival directions. A drawback is the risk to miss an important part of the velocity distribution or to lose track of the beam altogether. A comparison is presented of different beam tracking strategies under consideration for the THOR-CSW instrument in order to highlight a number of design decisions and their impact on the acquired velocity distributions. The gain offered by beam tracking in terms of increased time resolution turns out to be essential for studies of solar wind physics at kinetic scales.

  20. Growth Kinetics and Size Distribution Dynamics of Viscous Secondary Organic Aerosol

    Energy Technology Data Exchange (ETDEWEB)

    Zaveri, Rahul A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Atmospheric Science and Global Change Div. (ASGC); Shilling, John E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Atmospheric Science and Global Change Div. (ASGC); Zelenyuk, Alla [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Physical Sciences Div.; Liu, Jiumeng [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Atmospheric Science and Global Change Div. (ASGC); Bell, David M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Physical Sciences Div.; Paul Scherrer Inst. (PSI), Villigen (Switzerland). Lab. of Atmospheric Chemistry; D’Ambro, Emma L. [Univ. of Washington, Seattle, WA (United States). Dept. of Atmospheric Sciences and Dept. of Chemistry; Gaston, Cassandra J. [Univ. of Washington, Seattle, WA (United States). Dept. of Atmospheric Sciences; Univ. of Miami, Miami, FL (United States). Rosenstiel School of Marine and Atmospheric Science; Thornton, Joel A. [Univ. of Washington, Seattle, WA (United States). Dept. of Atmospheric Sciences and Dept. of Chemistry; Laskin, Alexander [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL); Purdue Univ., West Lafayette, IN (United States). Dept. of Chemistry; Lin, Peng [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL); Purdue Univ., West Lafayette, IN (United States). Dept. of Chemistry; Wilson, Jacqueline [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Physical Sciences Div.; Easter, Richard C. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Atmospheric Science and Global Change Div. (ASGC); Wang, Jian [Brookhaven National Lab. (BNL), Upton, NY (United States). Environmental & Climate Sciences Dept.; Bertram, Allan K. [Univ. of British Columbia, Vancouver, BC (Canada). Dept. of Chemistry; Martin, Scot T. [Harvard Univ., Cambridge, MA (United States). School of Engineering and Applied Sciences (SEAS) and Dept. of Earth and Planetary Sciences; Seinfeld, John H. [California Inst. of Technology (CalTech), Pasadena, CA (United States). Div. of Chemistry and Chemical Engineering and Div. of Engineering and Applied Science; Worsnop, Douglas R. [Aerodyne Research, Billerica, MA (United States). Center for Aerosol and Cloud Chemistry

    2017-12-15

    Low bulk diffusivity inside viscous semisolid atmospheric secondary organic aerosol (SOA) can prolong equilibration time scale, but its broader impacts on aerosol growth and size distribution dynamics are poorly understood. In this article, we present quantitative insights into the effects of bulk diffusivity on the growth and evaporation kinetics of SOA formed under dry conditions from photooxidation of isoprene in the presence of a bimodal aerosol consisting of Aitken (ammonium sulfate) and accumulation (isoprene or α-pinene SOA) mode particles. Aerosol composition measurements and evaporation kinetics indicate that isoprene SOA is composed of several semivolatile organic compounds (SVOCs), with some reversibly reacting to form oligomers. Model analysis shows that liquid-like bulk diffusivities can be used to fit the observed evaporation kinetics of accumulation mode particles but fail to explain the growth kinetics of bimodal aerosol by significantly under-predicting the evolution of the Aitken mode. In contrast, the semisolid scenario successfully reproduces both evaporation and growth kinetics, with the interpretation that hindered partitioning of SVOCs into large viscous particles effectively promotes the growth of smaller particles that have shorter diffusion time scales. This effect has important implications for the growth of atmospheric ultrafine particles to climatically active sizes.

  1. Unsteady Flame Embedding

    KAUST Repository

    El-Asrag, Hossam A.

    2011-01-01

    Direct simulation of all the length and time scales relevant to practical combustion processes is computationally prohibitive. When combustion processes are driven by reaction and transport phenomena occurring at the unresolved scales of a numerical simulation, one must introduce a dynamic subgrid model that accounts for the multiscale nature of the problem using information available on a resolvable grid. Here, we discuss a model that captures unsteady flow-flame interactions- including extinction, re-ignition, and history effects-via embedded simulations at the subgrid level. The model efficiently accounts for subgrid flame structure and incorporates detailed chemistry and transport, allowing more accurate prediction of the stretch effect and the heat release. In this chapter we first review the work done in the past thirty years to develop the flame embedding concept. Next we present a formulation for the same concept that is compatible with Large Eddy Simulation in the flamelet regimes. The unsteady flame embedding approach (UFE) treats the flame as an ensemble of locally one-dimensional flames, similar to the flamelet approach. However, a set of elemental one-dimensional flames is used to describe the turbulent flame structure directly at the subgrid level. The calculations employ a one-dimensional unsteady flame model that incorporates unsteady strain rate, curvature, and mixture boundary conditions imposed by the resolved scales. The model is used for closure of the subgrid terms in the context of large eddy simulation. Direct numerical simulation (DNS) data from a flame-vortex interaction problem is used for comparison. © Springer Science+Business Media B.V. 2011.

  2. Kinetics of Reactive Fronts in Porous Media: quantification through a laboratory experiment

    Science.gov (United States)

    De Anna, P.; Jimenez-Martinez, J.; Turuban, R.; Tabuteau, H.; Derrien, M.; Le Borgne, T.; Meheust, Y.

    2013-12-01

    The kinetics of reaction fronts in heterogeneous flows is tightly linked to the mixing dynamics governed by the combined action of stretching, diffusion and dispersion. Focusing on porous media flows, with a new experimental setup we show that the invading solute is organized into stretched lamellae, whose deformation and coalescence control the effective reaction kinetics of the mixing limited bimolecular reaction A + B --> C. While the classic advection-dispersion theory predicts a scaling of the cumulative product mass of C as t^(0.5), we observe two distinct kinetics regimes, one characterized by the stretching and the other by the coalescence of the invading lamellae, in which the mass of C scales faster than t^(0.5). The proposed experimental set up allows for direct quantification of mixing and reactive transport in porous media with a high spatial resolution, at the pore scale. The analogous two dimensional porous medium consists in a Hele-Shaw cell containing a single layer of cylindrical solid grains built by soft lithography. On the one hand, the measurement of the local, intra-pore, conservative concentration field is done using a fluorescent tracer. On the other hand, considering a fast bimolecular advection-dispersion reaction A + B --> C occurring as A displaces B, we quantify the reaction kinetics from the spatially-resolved measurement of the pore scale reaction rate, using a chemiluminescent reaction.

  3. Kinetic model for an up-flow anaerobic packed bed bioreactor: Dairy ...

    African Journals Online (AJOL)

    Kinetic studies of anaerobic digestion process of cheese whey were conducted in a pilot-scale up-flow anaerobic packed bed bioreactor (UAPB). An influent COD concentration of 59419 mg/l was utilized at steady state condition. Logistic and Monod kinetic models were employed to describe microbial activities of cheese ...

  4. Effect of antenna size on electron kinetics in inductively coupled plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Hyo-Chang; Chung, Chin-Wook [Department of Electrical Engineering, Hanyang University, Seoul 133-791 (Korea, Republic of)

    2013-10-15

    Spatially resolved measurements of electron energy distribution functions (EEDFs) are investigated in inductively coupled plasmas with two planar antenna coils. When the plasma is sustained by the antenna with a diameter of 18 cm, the nonlocal kinetics is preserved in the argon gas pressure range from 2 mTorr to 20 mTorr. However, electron kinetics transit from nonlocal kinetics to local kinetics in discharge sustained by the antenna coil with diameter 34 cm. The results suggest that antenna size as well as chamber length are important parameters for the transition of the electron kinetics. Spatial variations of plasma potential, effective electron temperature, and EEDF in terms of total electron energy scale are also presented.

  5. Evaluation of Scaling Approaches for the Oceanic Dissipation Rate of Turbulent Kinetic Energy in the Surface Ocean

    Science.gov (United States)

    Esters, L. T.; Ward, B.; Sutherland, G.; Ten Doeschate, A.; Landwehr, S.; Bell, T. G.; Christensen, K. H.

    2016-02-01

    The air-sea exchange of heat, gas and momentum plays an important role for the Earth's weather and global climate. The exchange processes between ocean and atmosphere are influenced by the prevailing surface ocean dynamics. This surface ocean is a highly turbulent region where there is enhanced production of turbulent kinetic energy (TKE). The dissipation rate of TKE (ɛ) in the surface ocean is an important process for governing the depth of both the mixing and mixed layers, which are important length-scales for many aspects of ocean research. However, there exist very limited observations of ɛ under open ocean conditions and consequently our understanding of how to model the dissipation profile is very limited. The approaches to model profiles of ɛ that exist, differ by orders of magnitude depending on their underlying theoretical assumption and included physical processes. Therefore, scaling ɛ is not straight forward and requires open ocean measurements of ɛ to validate the respective scaling laws. This validated scaling of ɛ, is for example required to produce accurate mixed layer depths in global climate models. Errors in the depth of the ocean surface boundary layer can lead to biases in sea surface temperature. Here, we present open ocean measurements of ɛ from the Air-Sea Interaction Profiler (ASIP) collected during several cruises in different ocean basins. ASIP is an autonomous upwardly rising microstructure profiler allowing undisturbed profiling up to the ocean surface. These direct measurements of ɛ under various types of atmospheric and oceanic conditions along with measurements of atmospheric fluxes and wave conditions allow us to make a unique assessment of several scaling approaches based on wind, wave and buoyancy forcing. This will allow us to best assess the most appropriate ɛ-based parameterisation for air-sea exchange.

  6. Optimizing the solar photo-Fenton process in the treatment of contaminated water. Determination of intrinsic kinetic constants for scale-up

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez, Miguel [Universidad de Los Andes, Escuela Basica de Ingenieria, La Hechicera, Merida (Venezuela); Malato, Sixto [Plataforma Solar de Almeria, Tabernas (PSA) (Spain); Pulgarin, Cesar [Institute of Environmental Engineering, Laboratory for Environmental Biotechnology, Swiss Federal Institute of Technology (EPFL), CH-1015 Lausanne (Switzerland); Contreras, Sandra; Curco, David; Gimenez, Jaime; Esplugas, Santiago [Department d' Enginyeria Quimica i Metallurgia, Universitat de Barcelona, Marti i Franques 1, 08028 Barcelona (Spain)

    2005-10-01

    The elimination of aromatic compounds present in surface water by photo-Fenton with sunlight as the source of radiation was studied. The concentrations of Fe{sup 3+} and H{sub 2}O{sub 2} are key factors for this process. A solar simulator and a prototype parabolic collector were used as laboratory-scale reactors to find the parameters of those key factors to be used in the CPC (compound parabolic collector) pilot plant reactor. The initial mineralization rate constant (k{sub obs}) was determined and evaluated at different Fe{sup 3+} and H{sub 2}O{sub 2} concentrations to find the best values for maximum efficiency. In all the experiments the mineralization of an aqueous phenol solution was described by assuming a pseudo-first-order reaction. The intrinsic kinetic constants not dependent on the lighting conditions were also estimated for scale-up. (author)

  7. Towards improved parameterization of a macroscale hydrologic model in a discontinuous permafrost boreal forest ecosystem

    Directory of Open Access Journals (Sweden)

    A. Endalamaw

    2017-09-01

    Full Text Available Modeling hydrological processes in the Alaskan sub-arctic is challenging because of the extreme spatial heterogeneity in soil properties and vegetation communities. Nevertheless, modeling and predicting hydrological processes is critical in this region due to its vulnerability to the effects of climate change. Coarse-spatial-resolution datasets used in land surface modeling pose a new challenge in simulating the spatially distributed and basin-integrated processes since these datasets do not adequately represent the small-scale hydrological, thermal, and ecological heterogeneity. The goal of this study is to improve the prediction capacity of mesoscale to large-scale hydrological models by introducing a small-scale parameterization scheme, which better represents the spatial heterogeneity of soil properties and vegetation cover in the Alaskan sub-arctic. The small-scale parameterization schemes are derived from observations and a sub-grid parameterization method in the two contrasting sub-basins of the Caribou Poker Creek Research Watershed (CPCRW in Interior Alaska: one nearly permafrost-free (LowP sub-basin and one permafrost-dominated (HighP sub-basin. The sub-grid parameterization method used in the small-scale parameterization scheme is derived from the watershed topography. We found that observed soil thermal and hydraulic properties – including the distribution of permafrost and vegetation cover heterogeneity – are better represented in the sub-grid parameterization method than the coarse-resolution datasets. Parameters derived from the coarse-resolution datasets and from the sub-grid parameterization method are implemented into the variable infiltration capacity (VIC mesoscale hydrological model to simulate runoff, evapotranspiration (ET, and soil moisture in the two sub-basins of the CPCRW. Simulated hydrographs based on the small-scale parameterization capture most of the peak and low flows, with similar accuracy in both sub

  8. Discretized kinetic theory on scale-free networks

    Science.gov (United States)

    Bertotti, Maria Letizia; Modanese, Giovanni

    2016-10-01

    The network of interpersonal connections is one of the possible heterogeneous factors which affect the income distribution emerging from micro-to-macro economic models. In this paper we equip our model discussed in [1, 2] with a network structure. The model is based on a system of n differential equations of the kinetic discretized-Boltzmann kind. The network structure is incorporated in a probabilistic way, through the introduction of a link density P(α) and of correlation coefficients P(β|α), which give the conditioned probability that an individual with α links is connected to one with β links. We study the properties of the equations and give analytical results concerning the existence, normalization and positivity of the solutions. For a fixed network with P(α) = c/α q , we investigate numerically the dependence of the detailed and marginal equilibrium distributions on the initial conditions and on the exponent q. Our results are compatible with those obtained from the Bouchaud-Mezard model and from agent-based simulations, and provide additional information about the dependence of the individual income on the level of connectivity.

  9. Kinetics of corrosion products release from nickel-base alloys corroding in primary water conditions. A new modeling of release

    International Nuclear Information System (INIS)

    Carrette, F.; Guinard, L.; Pieraggi, B.

    2002-01-01

    The radioactivity in the primary circuit arises mainly from the activation of corrosion products in the core of pressurised water reactors; corrosion products dissolve from the oxide scales developed on steam generator tubes of alloy 690. The controlling and modelling of this process require a detailed knowledge of the microstructure and chemical composition of oxide scales as well as the kinetics of their corrosion and dissolution. Alloy 690 was studied as tubes and sheets, with three various surface states (as-received, cold-worked, electropolished). Corrosion tests were performed at 325 C and 155 bar in primary water conditions (B/Li - 1000/2 ppm, [H 2 ] 30 cm 3 .kg -1 TPN, [O 2 ] < 5 ppb); test durations ranged between 24 and 2160 hours. Corrosion tests in the TITANE loop provided mainly corrosion and oxidation kinetics, and tests in the BOREAL loop yielded release kinetics. This study revealed asymptotic type kinetics. Characterisation of the oxide scales grown in representative conditions of the primary circuit was performed by several techniques (SEM, TEM, SIMS, XPS, GIXRD). These analyses revealed the essential role of the fine grained cold-worked scale present on as-received and cold-worked materials. This scale controls the corrosion and release phenomena. The kinetic study and the characterisation of the oxide scales contributed to the modelling of the corrosion/release process. A growth/dissolution model was proposed for corrosion product scales grown in non-saturated dynamic fluid. This model provided the temporal evolution of oxide scales and release kinetics for different species (Fe, Ni, Cr). The model was validated for several surface states and several alloys. (authors)

  10. Workshop on Human Activity at Scale in Earth System Models

    Energy Technology Data Exchange (ETDEWEB)

    Allen, Melissa R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Aziz, H. M. Abdul [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Coletti, Mark A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Kennedy, Joseph H. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Nair, Sujithkumar S. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Omitaomu, Olufemi A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2017-01-26

    Changing human activity within a geographical location may have significant influence on the global climate, but that activity must be parameterized in such a way as to allow these high-resolution sub-grid processes to affect global climate within that modeling framework. Additionally, we must have tools that provide decision support and inform local and regional policies regarding mitigation of and adaptation to climate change. The development of next-generation earth system models, that can produce actionable results with minimum uncertainties, depends on understanding global climate change and human activity interactions at policy implementation scales. Unfortunately, at best we currently have only limited schemes for relating high-resolution sectoral emissions to real-time weather, ultimately to become part of larger regions and well-mixed atmosphere. Moreover, even our understanding of meteorological processes at these scales is imperfect. This workshop addresses these shortcomings by providing a forum for discussion of what we know about these processes, what we can model, where we have gaps in these areas and how we can rise to the challenge to fill these gaps.

  11. Direct numerical simulation of turbulent velocity-, pressure- and temperature-fields in channel flows

    International Nuclear Information System (INIS)

    Goetzbach, G.

    1977-10-01

    For the simulation of non stationary, three-dimensional, turbulent flow- and temperature-fields in channel flows with constant properties a method is presented which is based on a finite difference scheme of the complete conservation equations for mass, momentum and enthalpie. The fluxes of momentum and heat within the grid cells are described by sub-grid scale models. The sub-grid scale model for momentum introduced here is for the first time applicable to small Reynolds-numbers, rather coarse grids, and channels with space dependent roughness distributions. (orig.) [de

  12. A two-time-scale dynamic-model approach for magnetic and kinetic profile control in advanced tokamak scenarios on JET

    International Nuclear Information System (INIS)

    Moreau, D.; Mazon, D.; Ariola, M.; Tommasi, G. De; Laborde, L.; Piccolo, F.; Sartori, F.; Zabeo, L.; Boboc, A.; Brix, M.; Challis, C.D.; Felton, R.; Hawkes, N.; Tala, T.; Bouvier, E.; Cordoliani, V.; Brzozowski, J.; Cocilovo, V.; Crisanti, F.; Luna, E. de la

    2008-01-01

    Real-time simultaneous control of several radially distributed magnetic and kinetic plasma parameters is being investigated on JET, in view of developing integrated control of advanced tokamak scenarios. This paper describes the new model-based profile controller which has been implemented during the 2006-2007 experimental campaigns. The controller aims to use the combination of heating and current drive (H and CD) systems-and optionally the poloidal field (PF) system-in an optimal way to regulate the evolution of plasma parameter profiles such as the safety factor, q(x), and gyro-normalized temperature gradient, ρ Te *(x). In the first part of the paper, a technique for the experimental identification of a minimal dynamic plasma model is described, taking into account the physical structure and couplings of the transport equations, but making no quantitative assumptions on the transport coefficients or on their dependences. To cope with the high dimensionality of the state space and the large ratio between the time scales involved, the model identification procedure and the controller design both make use of the theory of singularly perturbed systems by means of a two-time-scale approximation. The second part of the paper provides the theoretical basis for the controller design. The profile controller is articulated around two composite feedback loops operating on the magnetic and kinetic time scales, respectively, and supplemented by a feedforward compensation of density variations. For any chosen set of target profiles, the closest self-consistent state achievable with the available actuators is uniquely defined. It is reached, with no steady state offset, through a near-optimal proportional-integral control algorithm. Conventional optimal control is recovered in the limiting case where the ratio of the plasma confinement time to the resistive diffusion time tends to zero. Closed-loop simulations of the controller response have been performed in preparation for

  13. Derivation of a reduced kinetic equation using Lie-transform techniques

    International Nuclear Information System (INIS)

    Brizard, A.

    1991-01-01

    The asymptotic elimination of fast time scales from a general kinetic equation, of the form: ∂ t f+z·∂ x f = C[f], facilitates the study of the long time behavior of its solution f(z,t). Here z describe the single-particle Hamiltonian dynamics and the operator C, which may possess nonlinear functional dependence on f, describes processes (such as discrete-particle effects, resonant wave-particle effects, or effects due to external sources) which cause changes in f as it is convectively transported along a Hamiltonian phase-space trajectory. When a fast time scale is associated with z through the dependence on a fast angle θ (whose frequency θ = Ω satisfies ε ≡ 1/Ωτ much-lt 1, where τ is a slow time scale of interest), a near-identity phase-space transformation T ε :z→Z (carried out with Lie-transform techniques) yields reduced Hamiltonian dynamical equations Z ε which are θ-independent. The corresponding transformed kinetic equation is derived. Averaging this equation over the fast angle θ yields a kinetic equation for left-angle F right-angle, the θ-averaged part of F. In general, the θ-dependence of C ε couples the kinetic equations for left-angle F right-angle and F, the θ-dependent part of F. One solves for the Fourier coefficient F l (associated with e ilθ ) as a functional of left-angle F right-angle. One obtains a reduced kinetic equation for left-angle F right-angle: d R left-angle F right-angle/dt = C R [left-angle F right-angle]. General expressions for C R are given, as well as expressions for the guiding-center and oscillation-center phase-space transformations of a linear Fokker-Planck operator. A discussion of the relationship with Mynick's work is presented

  14. Kinetic k-essence ghost dark energy model

    International Nuclear Information System (INIS)

    Rozas-Fernández, Alberto

    2012-01-01

    A ghost dark energy model has been recently put forward to explain the current accelerated expansion of the Universe. In this model, the energy density of ghost dark energy, which comes from the Veneziano ghost of QCD, is proportional to the Hubble parameter, ρ D =αH. Here α is a constant of order Λ QCD 3 where Λ QCD ∼100 MeV is the QCD mass scale. We consider a connection between ghost dark energy with/without interaction between the components of the dark sector and the kinetic k-essence field. It is shown that the cosmological evolution of the ghost dark energy dominated Universe can be completely described a kinetic k-essence scalar field. We reconstruct the kinetic k-essence function F(X) in a flat Friedmann-Robertson-Walker Universe according to the evolution of ghost dark energy density.

  15. Modeling and Elucidation of the Kinetics of Multiple Consecutive Photoreactions AB4(4Φ) With Φ-order Kinetics. Application to the Photodegradation of Riboflavin.

    Science.gov (United States)

    Maafi, Mounir; Maafi, Wassila

    2016-12-01

    New semi-empirical rate-law system of equations is proposed for the first time for consecutive photoreactions that involve up to 4 photoreaction steps, AB 4 (4Φ). The equation system was developed, tested, and validated against synthetic kinetic traces generated by fifth-order Runge-Kutta calculations. The model accurately fitted the kinetic traces of Riboflavin photodegradation in ethanol which decomposes via the AB 2 (2Φ) mechanism involving 2 consecutive photoreaction steps. A kinetic elucidation methodology useful for consecutive photoreactions was also proposed to determine all the kinetic parameters and reaction attributes defining AB 2 (2Φ) reactions. The quantum yields of photodegradation, determined for wavelengths in the visible region 400-480 nm, ranged from 0.005 to 0.00756 and 0.0012 to 8 10 -5 for the first and second photoreaction steps, respectively. They were found to increase with wavelength in defined sigmoid functions. For this monochromatic irradiation range, riboflavin proved to be a useful actinometer. Finally, a photodegradation scale based on pseudo-rate-constant values was also proposed for drugs. This scale (including 4 groups) is thought to contribute to rationalizing photodegradation testing and might prove useful in categorizing drugs' photodegradation reactivity. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

  16. High-Resolution Global Modeling of the Effects of Subgrid-Scale Clouds and Turbulence on Precipitating Cloud Systems

    Energy Technology Data Exchange (ETDEWEB)

    Bogenschutz, Peter [National Center for Atmospheric Research, Boulder, CO (United States); Moeng, Chin-Hoh [National Center for Atmospheric Research, Boulder, CO (United States)

    2015-10-13

    The PI’s at the National Center for Atmospheric Research (NCAR), Chin-Hoh Moeng and Peter Bogenschutz, have primarily focused their time on the implementation of the Simplified-Higher Order Turbulence Closure (SHOC; Bogenschutz and Krueger 2013) to the Multi-scale Modeling Framework (MMF) global model and testing of SHOC on deep convective cloud regimes.

  17. Scales of gravity

    International Nuclear Information System (INIS)

    Dvali, Gia; Kolanovic, Marko; Nitti, Francesco; Gabadadze, Gregory

    2002-01-01

    We propose a framework in which the quantum gravity scale can be as low as 10 -3 eV. The key assumption is that the standard model ultraviolet cutoff is much higher than the quantum gravity scale. This ensures that we observe conventional weak gravity. We construct an explicit brane-world model in which the brane-localized standard model is coupled to strong 5D gravity of infinite-volume flat extra space. Because of the high ultraviolet scale, the standard model fields generate a large graviton kinetic term on the brane. This kinetic term 'shields' the standard model from the strong bulk gravity. As a result, an observer on the brane sees weak 4D gravity up to astronomically large distances beyond which gravity becomes five dimensional. Modeling quantum gravity above its scale by the closed string spectrum we show that the shielding phenomenon protects the standard model from an apparent phenomenological catastrophe due to the exponentially large number of light string states. The collider experiments, astrophysics, cosmology and gravity measurements independently point to the same lower bound on the quantum gravity scale, 10 -3 eV. For this value the model has experimental signatures both for colliders and for submillimeter gravity measurements. Black holes reveal certain interesting properties in this framework

  18. Prediction of free turbulent mixing using a turbulent kinetic energy method

    Science.gov (United States)

    Harsha, P. T.

    1973-01-01

    Free turbulent mixing of two-dimensional and axisymmetric one- and two-stream flows is analyzed by a relatively simple turbulent kinetic energy method. This method incorporates a linear relationship between the turbulent shear and the turbulent kinetic energy and an algebraic relationship for the length scale appearing in the turbulent kinetic energy equation. Good results are obtained for a wide variety of flows. The technique is shown to be especially applicable to flows with heat and mass transfer, for which nonunity Prandtl and Schmidt numbers may be assumed.

  19. Chemical kinetics and combustion modelling with CFX 4

    Energy Technology Data Exchange (ETDEWEB)

    Stopford, P [AEA Technology, Computational Fluid Dynamics Services Harwell, Oxfordshire (United Kingdom)

    1998-12-31

    The presentation describes some recent developments in combustion and kinetics models used in the CFX software of AEA Technology. Three topics are highlighted: the development of coupled solvers in a traditional `SIMPLE`-based CFD code, the use of detailed chemical kinetics mechanism via `look-up` tables and the application of CFD to large-scale multi-burner combustion plant. The aim is identify those physical approximations and numerical methods that are likely to be most useful in the future and those areas where further developments are required. (author) 6 refs.

  20. Chemical kinetics and combustion modelling with CFX 4

    Energy Technology Data Exchange (ETDEWEB)

    Stopford, P. [AEA Technology, Computational Fluid Dynamics Services Harwell, Oxfordshire (United Kingdom)

    1997-12-31

    The presentation describes some recent developments in combustion and kinetics models used in the CFX software of AEA Technology. Three topics are highlighted: the development of coupled solvers in a traditional `SIMPLE`-based CFD code, the use of detailed chemical kinetics mechanism via `look-up` tables and the application of CFD to large-scale multi-burner combustion plant. The aim is identify those physical approximations and numerical methods that are likely to be most useful in the future and those areas where further developments are required. (author) 6 refs.

  1. Multiscale correlations in highly resolved Large Eddy Simulations

    Science.gov (United States)

    Biferale, Luca; Buzzicotti, Michele; Linkmann, Moritz

    2017-11-01

    Understanding multiscale turbulent statistics is one of the key challenges for many modern applied and fundamental problems in fluid dynamics. One of the main obstacles is the existence of anomalously strong non Gaussian fluctuations, which become more and more important with increasing Reynolds number. In order to assess the performance of LES models in reproducing these extreme events with reasonable accuracy, it is helpful to further understand the statistical properties of the coupling between the resolved and the subgrid scales. We present analytical and numerical results focussing on the multiscale correlations between the subgrid stress and the resolved velocity field obtained both from LES and filtered DNS data. Furthermore, a comparison is carried out between LES and DNS results concerning the scaling behaviour of higher-order structure functions using both Smagorinsky or self-similar Fourier sub-grid models. ERC AdG Grant No 339032 NewTURB.

  2. TopoSCALE v.1.0: downscaling gridded climate data in complex terrain

    Science.gov (United States)

    Fiddes, J.; Gruber, S.

    2014-02-01

    Simulation of land surface processes is problematic in heterogeneous terrain due to the the high resolution required of model grids to capture strong lateral variability caused by, for example, topography, and the lack of accurate meteorological forcing data at the site or scale it is required. Gridded data products produced by atmospheric models can fill this gap, however, often not at an appropriate spatial resolution to drive land-surface simulations. In this study we describe a method that uses the well-resolved description of the atmospheric column provided by climate models, together with high-resolution digital elevation models (DEMs), to downscale coarse-grid climate variables to a fine-scale subgrid. The main aim of this approach is to provide high-resolution driving data for a land-surface model (LSM). The method makes use of an interpolation of pressure-level data according to topographic height of the subgrid. An elevation and topography correction is used to downscale short-wave radiation. Long-wave radiation is downscaled by deriving a cloud-component of all-sky emissivity at grid level and using downscaled temperature and relative humidity fields to describe variability with elevation. Precipitation is downscaled with a simple non-linear lapse and optionally disaggregated using a climatology approach. We test the method in comparison with unscaled grid-level data and a set of reference methods, against a large evaluation dataset (up to 210 stations per variable) in the Swiss Alps. We demonstrate that the method can be used to derive meteorological inputs in complex terrain, with most significant improvements (with respect to reference methods) seen in variables derived from pressure levels: air temperature, relative humidity, wind speed and incoming long-wave radiation. This method may be of use in improving inputs to numerical simulations in heterogeneous and/or remote terrain, especially when statistical methods are not possible, due to lack of

  3. Non-kinetic capabilities: complementing the kinetic prevalence to targeting

    OpenAIRE

    Ducheine, P.

    2014-01-01

    Targeting is used in military doctrine to describe a military operational way, using (military) means to influence a target (or addressee) in order to achieve designated political and/or military goals. The four factors italicized are used to analyse non-kinetic targeting, complementing our knowledge and understanding of the kinetic prevalence. Paradoxically, non-kinetic targeting is not recognized as a separate concept: kinetic and non-kinetic are intertwined facets of targeting. Kinetic tar...

  4. Competing role of catalysis-coagulation and catalysis-fragmentation in kinetic aggregation behaviours

    International Nuclear Information System (INIS)

    Li Xiao-Dong; Lin Zhen-Quan; Song Mei-Xia; Ke Jian-Hong

    2010-01-01

    We propose a kinetic aggregation model where species A aggregates evolve by the catalysis-coagulation and the catalysis-fragmentation, while the catalyst aggregates of the same species B or C perform self-coagulation processes. By means of the generalized Smoluchowski rate equation based on the mean-field assumption, we study the kinetic behaviours of the system with the catalysis-coagulation rate kernel K(i,j;l) ∝ l ν and the catalysis-fragmentation rate kernel F(i,j;l) ∝ l μ , where l is the size of the catalyst aggregate, and ν and μ are two parameters reflecting the dependence of the catalysis reaction on the size of the catalyst aggregate. The relation between the values of parameters ν and μ reflects the competing roles between the two catalysis processes in the kinetic evolution of species A. It is found that the competing roles of the catalysis-coagulation and catalysis-fragmentation in the kinetic aggregation behaviours are not determined simply by the relation between the two parameters ν and μ, but also depend on the values of these two parameters. When ν > μ and ν ≥ 0, the kinetic evolution of species A is dominated by the catalysis-coagulation and its aggregate size distribution a k (t) obeys the conventional or generalized scaling law; when ν k (t) approaches the scale-free form; and in other cases, a balance is established between the two competing processes at large times and a k (t) obeys a modified scaling law. (cross-disciplinary physics and related areas of science and technology)

  5. Kinetic modelling and characterization of microbial community present in a full-scale UASB reactor treating brewery effluent.

    Science.gov (United States)

    Enitan, Abimbola M; Kumari, Sheena; Swalaha, Feroz M; Adeyemo, J; Ramdhani, Nishani; Bux, Faizal

    2014-02-01

    The performance of a full-scale upflow anaerobic sludge blanket (UASB) reactor treating brewery wastewater was investigated by microbial analysis and kinetic modelling. The microbial community present in the granular sludge was detected using fluorescent in situ hybridization (FISH) and further confirmed using polymerase chain reaction. A group of 16S rRNA based fluorescent probes and primers targeting Archaea and Eubacteria were selected for microbial analysis. FISH results indicated the presence and dominance of a significant amount of Eubacteria and diverse group of methanogenic Archaea belonging to the order Methanococcales, Methanobacteriales, and Methanomicrobiales within in the UASB reactor. The influent brewery wastewater had a relatively high amount of volatile fatty acids chemical oxygen demand (COD), 2005 mg/l and the final COD concentration of the reactor was 457 mg/l. The biogas analysis showed 60-69% of methane, confirming the presence and activities of methanogens within the reactor. Biokinetics of the degradable organic substrate present in the brewery wastewater was further explored using Stover and Kincannon kinetic model, with the aim of predicting the final effluent quality. The maximum utilization rate constant U max and the saturation constant (K(B)) in the model were estimated as 18.51 and 13.64 g/l/day, respectively. The model showed an excellent fit between the predicted and the observed effluent COD concentrations. Applicability of this model to predict the effluent quality of the UASB reactor treating brewery wastewater was evident from the regression analysis (R(2) = 0.957) which could be used for optimizing the reactor performance.

  6. Kinetics of BaSO4 crystal growth and effect in formation damage

    International Nuclear Information System (INIS)

    Wat, R.M.S.; Sorbie, K.S.; Todd, A.C.; Chen, P.; Jiang, P.

    1992-01-01

    In the North Sea, due to the extensive use of water injection for oil displacement and pressure maintenance, many reservoirs experience the problem of scale deposition when injection water starts to breakthrough. In most cases the scaled-up wells are caused by the formation of sulphate scales of Barium and Strontium. Due to their relative hardness and low solubility, there are limited processes available for their removal and the preventative measure such as the squeeze inhibitor treatment has to be taken. It is therefore important to have a proper understanding of the kinetics of scale formation and its detrimental effect on formation damage under both inhibited and uninhibited environment. In this paper, the authors present results of BaSO 4 formation kinetics in both beaker tests and in highly reproducible sandpacks which simulates the flow in porous medium

  7. Global fully kinetic models of planetary magnetospheres with iPic3D

    Science.gov (United States)

    Gonzalez, D.; Sanna, L.; Amaya, J.; Zitz, A.; Lembege, B.; Markidis, S.; Schriver, D.; Walker, R. J.; Berchem, J.; Peng, I. B.; Travnicek, P. M.; Lapenta, G.

    2016-12-01

    We report on the latest developments of our approach to model planetary magnetospheres, mini magnetospheres and the Earth's magnetosphere with the fully kinetic, electromagnetic particle in cell code iPic3D. The code treats electrons and multiple species of ions as full kinetic particles. We review: 1) Why a fully kinetic model and in particular why kinetic electrons are needed for capturing some of the most important aspects of the physics processes of planetary magnetospheres. 2) Why the energy conserving implicit method (ECIM) in its newest implementation [1] is the right approach to reach this goal. We consider the different electron scales and study how the new IECIM can be tuned to resolve only the electron scales of interest while averaging over the unresolved scales preserving their contribution to the evolution. 3) How with modern computing planetary magnetospheres, mini magnetosphere and eventually Earth's magnetosphere can be modeled with fully kinetic electrons. The path from petascale to exascale for iPiC3D is outlined based on the DEEP-ER project [2], using dynamic allocation of different processor architectures (Xeon and Xeon Phi) and innovative I/O technologies.Specifically results from models of Mercury are presented and compared with MESSENGER observations and with previous hybrid (fluid electrons and kinetic ions) simulations. The plasma convection around the planets includes the development of hydrodynamic instabilities at the flanks, the presence of the collisionless shocks, the magnetosheath, the magnetopause, reconnection zones, the formation of the plasma sheet and the magnetotail, and the variation of ion/electron plasma flows when crossing these frontiers. Given the full kinetic nature of our approach we focus on detailed particle dynamics and distribution at locations that can be used for comparison with satellite data. [1] Lapenta, G. (2016). Exactly Energy Conserving Implicit Moment Particle in Cell Formulation. arXiv preprint ar

  8. Analyzing the cosmic variance limit of remote dipole measurements of the cosmic microwave background using the large-scale kinetic Sunyaev Zel'dovich effect

    Energy Technology Data Exchange (ETDEWEB)

    Terrana, Alexandra; Johnson, Matthew C. [Department of Physics and Astronomy, York University, Toronto, Ontario, M3J 1P3 (Canada); Harris, Mary-Jean, E-mail: aterrana@perimeterinstitute.ca, E-mail: mharris8@perimeterinstitute.ca, E-mail: mjohnson@perimeterinstitute.ca [Perimeter Institute for Theoretical Physics, Waterloo, Ontario N2L 2Y5 (Canada)

    2017-02-01

    Due to cosmic variance we cannot learn any more about large-scale inhomogeneities from the primary cosmic microwave background (CMB) alone. More information on large scales is essential for resolving large angular scale anomalies in the CMB. Here we consider cross correlating the large-scale kinetic Sunyaev Zel'dovich (kSZ) effect and probes of large-scale structure, a technique known as kSZ tomography. The statistically anisotropic component of the cross correlation encodes the CMB dipole as seen by free electrons throughout the observable Universe, providing information about long wavelength inhomogeneities. We compute the large angular scale power asymmetry, constructing the appropriate transfer functions, and estimate the cosmic variance limited signal to noise for a variety of redshift bin configurations. The signal to noise is significant over a large range of power multipoles and numbers of bins. We present a simple mode counting argument indicating that kSZ tomography can be used to estimate more modes than the primary CMB on comparable scales. A basic forecast indicates that a first detection could be made with next-generation CMB experiments and galaxy surveys. This paper motivates a more systematic investigation of how close to the cosmic variance limit it will be possible to get with future observations.

  9. Applying an economical scale-aware PDF-based turbulence closure model in NOAA NCEP GCMs.

    Science.gov (United States)

    Belochitski, A.; Krueger, S. K.; Moorthi, S.; Bogenschutz, P.; Cheng, A.

    2017-12-01

    A novel unified representation of sub-grid scale (SGS) turbulence, cloudiness, and shallow convection is being implemented into the NOAA NCEP Global Forecasting System (GFS) general circulation model. The approach, known as Simplified High Order Closure (SHOC), is based on predicting a joint PDF of SGS thermodynamic variables and vertical velocity, and using it to diagnose turbulent diffusion coefficients, SGS fluxes, condensation, and cloudiness. Unlike other similar methods, comparatively few new prognostic variables needs to be introduced, making the technique computationally efficient. In the base version of SHOC it is SGS turbulent kinetic energy (TKE), and in the developmental version — SGS TKE, and variances of total water and moist static energy (MSE). SHOC is now incorporated into a version of GFS that will become a part of the NOAA Next Generation Global Prediction System based around NOAA GFDL's FV3 dynamical core, NOAA Environmental Modeling System (NEMS) coupled modeling infrastructure software, and a set novel physical parameterizations. Turbulent diffusion coefficients computed by SHOC are now used in place of those produced by the boundary layer turbulence and shallow convection parameterizations. Large scale microphysics scheme is no longer used to calculate cloud fraction or the large-scale condensation/deposition. Instead, SHOC provides these quantities. Radiative transfer parameterization uses cloudiness computed by SHOC. An outstanding problem with implementation of SHOC in the NCEP global models is excessively large high level tropical cloudiness. Comparison of the moments of the SGS PDF diagnosed by SHOC to the moments calculated in a GigaLES simulation of tropical deep convection case (GATE), shows that SHOC diagnoses too narrow PDF distributions of total cloud water and MSE in the areas of deep convective detrainment. A subsequent sensitivity study of SHOC's diagnosed cloud fraction (CF) to higher order input moments of the SGS PDF

  10. Topological and kinetic determinants of the modal matrices of dynamic models of metabolism.

    Directory of Open Access Journals (Sweden)

    Bin Du

    Full Text Available Large-scale kinetic models of metabolism are becoming increasingly comprehensive and accurate. A key challenge is to understand the biochemical basis of the dynamic properties of these models. Linear analysis methods are well-established as useful tools for characterizing the dynamic response of metabolic networks. Central to linear analysis methods are two key matrices: the Jacobian matrix (J and the modal matrix (M-1 arising from its eigendecomposition. The modal matrix M-1 contains dynamically independent motions of the kinetic model near a reference state, and it is sparse in practice for metabolic networks. However, connecting the structure of M-1 to the kinetic properties of the underlying reactions is non-trivial. In this study, we analyze the relationship between J, M-1, and the kinetic properties of the underlying network for kinetic models of metabolism. Specifically, we describe the origin of mode sparsity structure based on features of the network stoichiometric matrix S and the reaction kinetic gradient matrix G. First, we show that due to the scaling of kinetic parameters in real networks, diagonal dominance occurs in a substantial fraction of the rows of J, resulting in simple modal structures with clear biological interpretations. Then, we show that more complicated modes originate from topologically-connected reactions that have similar reaction elasticities in G. These elasticities represent dynamic equilibrium balances within reactions and are key determinants of modal structure. The work presented should prove useful towards obtaining an understanding of the dynamics of kinetic models of metabolism, which are rooted in the network structure and the kinetic properties of reactions.

  11. Suppression of Phase Mixing in Drift-Kinetic Plasma Turbulence

    Science.gov (United States)

    Parker, J. T.; Dellar, P. J.; Schekochihin, A. A.; Highcock, E. G.

    2017-12-01

    The solar wind and interstellar medium are examples of strongly magnetised, weakly collisional, astrophysical plasmas. Their turbulent fluctuations are strongly anisotropic, with small amplitudes, and frequencies much lower than the Larmor frequency. This regime is described by gyrokinetic theory, a reduced five-dimensional kinetic system describing averages over Larmor orbits. A turbulent plasma may transfer free energy, a measure of fluctuation amplitudes, from injection at large scales, typically by an instability, to dissipation at small physical scales like a turbulent fluid. Alternatively, a turbulent plasma may form fine scale structures in velocity space via phase-mixing, the mechanism that leads to Landau damping in linear plasma theory. Macroscopic plasma properties like heat and momentum transport are affected by both mechanisms. While each is understood in isolation, their interaction is not. We study this interaction using a Hankel-Hermite velocity space representation of gyrokinetic theory. The Hankel transform interacts neatly with the Bessel functions that arise from averaging over Larmor orbits, so the perpendicular velocity space is decoupled for linearized problems. The Hermite transform expresses phase mixing as nearest-neighbor coupling between parallel velocity space scales represented by Hermite mode numbers. We use this representation to study transfer mechanisms in drift-kinetic plasma turbulence, the long wavelength limit of gyrokinetic theory. We show that phase space is divided into two regions, with one transfer mechanism dominating in each. Most energy is contained in the region where the fluid-like nonlinear cascade dominates. Moreover, in that region the nonlinear cascade interferes with phase mixing by exciting an "anti phase mixing" transfer of free energy from small to large velocity space scales. This cancels out the usual phase mixing, and renders the overall behavior fluid-like. These results profoundly change our understanding

  12. Group-kinetic theory of turbulence

    Science.gov (United States)

    Tchen, C. M.

    1986-01-01

    The two phases are governed by two coupled systems of Navier-Stokes equations. The couplings are nonlinear. These equations describe the microdynamical state of turbulence, and are transformed into a master equation. By scaling, a kinetic hierarchy is generated in the form of groups, representing the spectral evolution, the diffusivity and the relaxation. The loss of memory in formulating the relaxation yields the closure. The network of sub-distributions that participates in the relaxation is simulated by a self-consistent porous medium, so that the average effect on the diffusivity is to make it approach equilibrium. The kinetic equation of turbulence is derived. The method of moments reverts it to the continuum. The equation of spectral evolution is obtained and the transport properties are calculated. In inertia turbulence, the Kolmogoroff law for weak coupling and the spectrum for the strong coupling are found. As the fluid analog, the nonlinear Schrodinger equation has a driving force in the form of emission of solitons by velocity fluctuations, and is used to describe the microdynamical state of turbulence. In order for the emission together with the modulation to participate in the transport processes, the non-homogeneous Schrodinger equation is transformed into a homogeneous master equation. By group-scaling, the master equation is decomposed into a system of transport equations, replacing the Bogoliubov system of equations of many-particle distributions. It is in the relaxation that the memory is lost when the ensemble of higher-order distributions is simulated by an effective porous medium. The closure is thus found. The kinetic equation is derived and transformed into the equation of spectral flow.

  13. A Diagnostic PDF Cloud Scheme to Improve Subtropical Low Clouds in NCAR Community Atmosphere Model (CAM5)

    Science.gov (United States)

    Qin, Yi; Lin, Yanluan; Xu, Shiming; Ma, Hsi-Yen; Xie, Shaocheng

    2018-02-01

    Low clouds strongly impact the radiation budget of the climate system, but their simulation in most GCMs has remained a challenge, especially over the subtropical stratocumulus region. Assuming a Gaussian distribution for the subgrid-scale total water and liquid water potential temperature, a new statistical cloud scheme is proposed and tested in NCAR Community Atmospheric Model version 5 (CAM5). The subgrid-scale variance is diagnosed from the turbulent and shallow convective processes in CAM5. The approach is able to maintain the consistency between cloud fraction and cloud condensate and thus alleviates the adjustment needed in the default relative humidity-based cloud fraction scheme. Short-term forecast simulations indicate that low cloud fraction and liquid water content, including their diurnal cycle, are improved due to a proper consideration of subgrid-scale variance over the southeastern Pacific Ocean region. Compared with the default cloud scheme, the new approach produced the mean climate reasonably well with improved shortwave cloud forcing (SWCF) due to more reasonable low cloud fraction and liquid water path over regions with predominant low clouds. Meanwhile, the SWCF bias over the tropical land regions is also alleviated. Furthermore, the simulated marine boundary layer clouds with the new approach extend further offshore and agree better with observations. The new approach is able to obtain the top of atmosphere (TOA) radiation balance with a slightly alleviated double ITCZ problem in preliminary coupled simulations. This study implies that a close coupling of cloud processes with other subgrid-scale physical processes is a promising approach to improve cloud simulations.

  14. Sensitivities of simulated satellite views of clouds to subgrid-scale overlap and condensate heterogeneity

    Energy Technology Data Exchange (ETDEWEB)

    Hillman, Benjamin R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Marchand, Roger T. [Univ. of Washington, Seattle, WA (United States); Ackerman, Thomas P. [Univ. of Washington, Seattle, WA (United States)

    2017-08-01

    Satellite simulators are often used to account for limitations in satellite retrievals of cloud properties in comparisons between models and satellite observations. The purpose of the simulator framework is to enable more robust evaluation of model cloud properties, so that di erences between models and observations can more con dently be attributed to model errors. However, these simulators are subject to uncertainties themselves. A fundamental uncertainty exists in connecting the spatial scales at which cloud properties are retrieved with those at which clouds are simulated in global models. In this study, we create a series of sensitivity tests using 4 km global model output from the Multiscale Modeling Framework to evaluate the sensitivity of simulated satellite retrievals when applied to climate models whose grid spacing is many tens to hundreds of kilometers. In particular, we examine the impact of cloud and precipitation overlap and of condensate spatial variability. We find the simulated retrievals are sensitive to these assumptions. Specifically, using maximum-random overlap with homogeneous cloud and precipitation condensate, which is often used in global climate models, leads to large errors in MISR and ISCCP-simulated cloud cover and in CloudSat-simulated radar reflectivity. To correct for these errors, an improved treatment of unresolved clouds and precipitation is implemented for use with the simulator framework and is shown to substantially reduce the identified errors.

  15. The fractional diffusion limit of a kinetic model with biochemical pathway

    Science.gov (United States)

    Perthame, Benoît; Sun, Weiran; Tang, Min

    2018-06-01

    Kinetic-transport equations that take into account the intracellular pathways are now considered as the correct description of bacterial chemotaxis by run and tumble. Recent mathematical studies have shown their interest and their relations to more standard models. Macroscopic equations of Keller-Segel type have been derived using parabolic scaling. Due to the randomness of receptor methylation or intracellular chemical reactions, noise occurs in the signaling pathways and affects the tumbling rate. Then comes the question to understand the role of an internal noise on the behavior of the full population. In this paper we consider a kinetic model for chemotaxis which includes biochemical pathway with noises. We show that under proper scaling and conditions on the tumbling frequency as well as the form of noise, fractional diffusion can arise in the macroscopic limits of the kinetic equation. This gives a new mathematical theory about how long jumps can be due to the internal noise of the bacteria.

  16. Structure and modeling of turbulence

    International Nuclear Information System (INIS)

    Novikov, E.A.

    1995-01-01

    The open-quotes vortex stringsclose quotes scale l s ∼ LRe -3/10 (L-external scale, Re - Reynolds number) is suggested as a grid scale for the large-eddy simulation. Various aspects of the structure of turbulence and subgrid modeling are described in terms of conditional averaging, Markov processes with dependent increments and infinitely divisible distributions. The major request from the energy, naval, aerospace and environmental engineering communities to the theory of turbulence is to reduce the enormous number of degrees of freedom in turbulent flows to a level manageable by computer simulations. The vast majority of these degrees of freedom is in the small-scale motion. The study of the structure of turbulence provides a basis for subgrid-scale (SGS) models, which are necessary for the large-eddy simulations (LES)

  17. The curved kinetic boundary layer of active matter.

    Science.gov (United States)

    Yan, Wen; Brady, John F

    2018-01-03

    A body submerged in active matter feels the swim pressure through a kinetic accumulation boundary layer on its surface. The boundary layer results from a balance between translational diffusion and advective swimming and occurs on the microscopic length scale . Here , D T is the Brownian translational diffusivity, τ R is the reorientation time and l = U 0 τ R is the swimmer's run length, with U 0 the swim speed [Yan and Brady, J. Fluid. Mech., 2015, 785, R1]. In this work we analyze the swim pressure on arbitrary shaped bodies by including the effect of local shape curvature in the kinetic boundary layer. When δ ≪ L and l ≪ L, where L is the body size, the leading order effects of curvature on the swim pressure are found analytically to scale as J S λδ 2 /L, where J S is twice the (non-dimensional) mean curvature. Particle-tracking simulations and direct solutions to the Smoluchowski equation governing the probability distribution of the active particles show that λδ 2 /L is a universal scaling parameter not limited to the regime δ, l ≪ L. The net force exerted on the body by the swimmers is found to scale as F net /(n ∞ k s T s L 2 ) = f(λδ 2 /L), where f(x) is a dimensionless function that is quadratic when x ≪ 1 and linear when x ∼ 1. Here, k s T s = ζU 0 2 τ R /6 defines the 'activity' of the swimmers, with ζ the drag coefficient, and n ∞ is the uniform number density of swimmers far from the body. We discuss the connection of this boundary layer to continuum mechanical descriptions of active matter and briefly present how to include hydrodynamics into this purely kinetic study.

  18. Quantum field kinetics of QCD quark-gluon transport theory for light-cone dominated processes

    CERN Document Server

    Kinder-Geiger, Klaus

    1996-01-01

    A quantum kinetic formalism is developed to study the dynamical interplay of quantum and statistical-kinetic properties of non-equilibrium multi-parton systems produced in high-energy QCD processes. The approach provides the means to follow the quantum dynamics in both space-time and energy-momentum, starting from an arbitrary initial configuration of high-momentum quarks and gluons. Using a generalized functional integral representation and adopting the `closed-time-path' Green function techniques, a self-consistent set of equations of motions is obtained: a Ginzburg-Landau equation for a possible color background field, and Dyson-Schwinger equations for the 2-point functions of the gluon and quark fields. By exploiting the `two-scale nature' of light-cone dominated QCD processes, i.e. the separation between the quantum scale that specifies the range of short-distance quantum fluctuations, and the kinetic scale that characterizes the range of statistical binary inter- actions, the quantum-field equations of ...

  19. Molecular Dynamics Simulations and Kinetic Measurements to Estimate and Predict Protein-Ligand Residence Times.

    Science.gov (United States)

    Mollica, Luca; Theret, Isabelle; Antoine, Mathias; Perron-Sierra, Françoise; Charton, Yves; Fourquez, Jean-Marie; Wierzbicki, Michel; Boutin, Jean A; Ferry, Gilles; Decherchi, Sergio; Bottegoni, Giovanni; Ducrot, Pierre; Cavalli, Andrea

    2016-08-11

    Ligand-target residence time is emerging as a key drug discovery parameter because it can reliably predict drug efficacy in vivo. Experimental approaches to binding and unbinding kinetics are nowadays available, but we still lack reliable computational tools for predicting kinetics and residence time. Most attempts have been based on brute-force molecular dynamics (MD) simulations, which are CPU-demanding and not yet particularly accurate. We recently reported a new scaled-MD-based protocol, which showed potential for residence time prediction in drug discovery. Here, we further challenged our procedure's predictive ability by applying our methodology to a series of glucokinase activators that could be useful for treating type 2 diabetes mellitus. We combined scaled MD with experimental kinetics measurements and X-ray crystallography, promptly checking the protocol's reliability by directly comparing computational predictions and experimental measures. The good agreement highlights the potential of our scaled-MD-based approach as an innovative method for computationally estimating and predicting drug residence times.

  20. Solar photo-Fenton process on the abatement of antibiotics at a pilot scale: Degradation kinetics, ecotoxicity and phytotoxicity assessment and removal of antibiotic resistant enterococci.

    Science.gov (United States)

    Michael, I; Hapeshi, E; Michael, C; Varela, A R; Kyriakou, S; Manaia, C M; Fatta-Kassinos, D

    2012-11-01

    This work investigated the application of a solar driven advanced oxidation process (solar photo-Fenton), for the degradation of antibiotics at low concentration level (μg L(-1)) in secondary treated domestic effluents at a pilot-scale. The examined antibiotics were ofloxacin (OFX) and trimethoprim (TMP). A compound parabolic collector (CPC) pilot plant was used for the photocatalytic experiments. The process was mainly evaluated by a fast and reliable analytical method based on a UPLC-MS/MS system. Solar photo-Fenton process using low iron and hydrogen peroxide doses ([Fe(2+)](0) = 5 mg L(-1); [H(2)O(2)](0) = 75 mg L(-1)) was proved to be an efficient method for the elimination of these compounds with relatively high degradation rates. The photocatalytic degradation of OFX and TMP with the solar photo-Fenton process followed apparent first-order kinetics. A modification of the first-order kinetic expression was proposed and has been successfully used to explain the degradation kinetics of the compounds during the solar photo-Fenton treatment. The results demonstrated the capacity of the applied advanced process to reduce the initial wastewater toxicity against the examined plant species (Sorghum saccharatum, Lepidium sativum, Sinapis alba) and the water flea Daphnia magna. The phytotoxicity of the treated samples, expressed as root growth inhibition, was higher compared to that observed on the inhibition of seed germination. Enterococci, including those resistant to OFX and TMP, were completely eliminated at the end of the treatment. The total cost of the full scale unit for the treatment of 150 m(3) day(-1) of secondary wastewater effluent was found to be 0.85 € m(-3). Copyright © 2012 Elsevier Ltd. All rights reserved.

  1. Aircraft Measurements of Atmospheric Kinetic Energy Spectra

    DEFF Research Database (Denmark)

    Lundtang Petersen, Erik; Lilly, D. K.

    1983-01-01

    Wind velocity data obtained from a jet airliner are used to construct kinetic energy spectra over the range of wavelengths from 2.5 to 2500 km. The spectra exhibit an approximate -5/3 slope for wavelengths of less than about 150 km, steepening to about -2.2 at larger scales. These results support...

  2. Comparison of two LES codes for wind turbine wake studies

    DEFF Research Database (Denmark)

    Chivaee, Hamid Sarlak; Pierella, F.; Mikkelsen, Robert Flemming

    2014-01-01

    of this paper is to investigate on two CFD solvers, the DTU's in-house code, EllipSys3D and the open-sourse toolbox, OpenFoam, for a set of actuator line based LES computations. Two types of simulations are performed: the wake behind a signle rotor and the wake behind a cluster of three inline rotors. Results...... are compared in terms of velocity deficit, turbulence kinetic energy and eddy viscosity. It is seen that both codes predict similar near-wake flow structures with the exception of OpenFoam's simulations without the subgrid-scale model. The differences begin to increase with increasing the distance from...... of the wake structures and more homogenuous flow structures. It is finally observed that OpenFoam computations are more sensitive to the SGS models....

  3. Sulfide toxicity kinetics of a uasb reactor

    Directory of Open Access Journals (Sweden)

    D. R. Paula Jr.

    2009-12-01

    Full Text Available The effect of sulfide toxicity on kinetic parameters of anaerobic organic matter removal in a UASB (up-flow anaerobic sludge blanket reactor is presented. Two lab-scale UASB reactors (10.5 L were operated continuously during 12 months. The reactors were fed with synthetic wastes prepared daily using glucose, ammonium acetate, methanol and nutrient solution. One of the reactors also received increasing concentrations of sodium sulfide. For both reactors, the flow rate of 16 L.d-1 was held constant throughout the experiment, corresponding to a hydraulic retention time of 15.6 hours. The classic model for non-competitive sulfide inhibition was applied to the experimental data for determining the overall kinetic parameter of specific substrate utilization (q and the sulfide inhibition coefficient (Ki. The application of the kinetic parameters determined allows prediction of methanogenesis inhibition and thus the adoption of operating parameters to minimize sulfide toxicity in UASB reactors.

  4. Late kinetic decoupling of light magnetic dipole dark matter

    International Nuclear Information System (INIS)

    Gondolo, Paolo; Kadota, Kenji

    2016-01-01

    We study the kinetic decoupling of light (≲10 GeV) magnetic dipole dark matter (DM). We find that present bounds from collider, direct DM searches, and structure formation allow magnetic dipole DM to remain in thermal equilibrium with the early universe plasma until as late as the electron-positron annihilation epoch. This late kinetic decoupling leads to a minimal mass for the earliest dark protohalos of thousands of solar masses, in contrast to the conventional weak scale DM scenario where they are of order 10 −6 solar masses.

  5. Spectral non-equilibrium property in homogeneous isotropic turbulence and its implication in subgrid-scale modeling

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Le [Laboratory of Mathematics and Physics, Ecole Centrale de Pékin, Beihang University, Beijing 100191 (China); Zhu, Ying [Laboratory of Mathematics and Physics, Ecole Centrale de Pékin, Beihang University, Beijing 100191 (China); National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Liu, Yangwei, E-mail: liuyangwei@126.com [National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Lu, Lipeng [National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China)

    2015-10-09

    The non-equilibrium property in turbulence is a non-negligible problem in large-eddy simulation but has not yet been systematically considered. The generalization from equilibrium turbulence to non-equilibrium turbulence requires a clear recognition of the non-equilibrium property. As a preliminary step of this recognition, the present letter defines a typical non-equilibrium process, that is, the spectral non-equilibrium process, in homogeneous isotropic turbulence. It is then theoretically investigated by employing the skewness of grid-scale velocity gradient, which permits the decomposition of resolved velocity field into an equilibrium one and a time-reversed one. Based on this decomposition, an improved Smagorinsky model is proposed to correct the non-equilibrium behavior of the traditional Smagorinsky model. The present study is expected to shed light on the future studies of more generalized non-equilibrium turbulent flows. - Highlights: • A spectral non-equilibrium process in isotropic turbulence is defined theoretically. • A decomposition method is proposed to divide a non-equilibrium turbulence field. • An improved Smagorinsky model is proposed to correct the non-equilibrium behavior.

  6. Scaling of energy deposition in fast ignition targets

    International Nuclear Information System (INIS)

    Welch, Dale R.; Slutz, Stephen A.; Mehlhorn, Thomas Alan; Campbell, Robert B.

    2005-01-01

    We examine the scaling to ignition of the energy deposition of laser generated electrons in compressed fast ignition cores. Relevant cores have densities of several hundred g/cm 3 , with a few keV initial temperature. As the laser intensities increase approaching ignition systems, on the order of a few 10 21 W/cm 2 , the hot electron energies expected to approach 100MeV. Most certainly anomalous processes must play a role in the energy transfer, but the exact nature of these processes, as well as a practical way to model them, remain open issues. Traditional PIC explicit methods are limited to low densities on current and anticipated computing platforms, so the study of relevant parameter ranges has received so far little attention. We use LSP to examine a relativistic electron beam (presumed generated from a laser plasma interaction) of legislated energy and angular distribution is injected into a 3D block of compressed DT. Collective effects will determine the stopping, most likely driven by magnetic field filamentation. The scaling of the stopping as a function of block density and temperature, as well as hot electron current and laser intensity is presented. Sub-grid models may be profitably used and degenerate effects included in the solution of this problem.

  7. Applying Hillslope Hydrology to Bridge between Ecosystem and Grid-Scale Processes within an Earth System Model

    Science.gov (United States)

    Subin, Z. M.; Sulman, B. N.; Malyshev, S.; Shevliakova, E.

    2013-12-01

    Soil moisture is a crucial control on surface energy fluxes, vegetation properties, and soil carbon cycling. Its interactions with ecosystem processes are highly nonlinear across a large range, as both drought stress and anoxia can impede vegetation and microbial growth. Earth System Models (ESMs) generally only represent an average soil-moisture state in grid cells at scales of 50-200 km, and as a result are not able to adequately represent the effects of subgrid heterogeneity in soil moisture, especially in regions with large wetland areas. We addressed this deficiency by developing the first ESM-coupled subgrid hillslope-hydrological model, TiHy (Tiled-hillslope Hydrology), embedded within the Geophysical Fluid Dynamics Laboratory (GFDL) land model. In each grid cell, one or more representative hillslope geometries are discretized into land model tiles along an upland-to-lowland gradient. These geometries represent ~1 km hillslope-scale hydrological features and allow for flexible representation of hillslope profile and plan shapes, in addition to variation of subsurface properties among or within hillslopes. Each tile (which may represent ~100 m along the hillslope) has its own surface fluxes, vegetation state, and vertically-resolved state variables for soil physics and biogeochemistry. Resolution of water state in deep layers (~200 m) down to bedrock allows for physical integration of groundwater transport with unsaturated overlying dynamics. Multiple tiles can also co-exist at the same vertical position along the hillslope, allowing the simulation of ecosystem heterogeneity due to disturbance. The hydrological model is coupled to the vertically-resolved Carbon, Organisms, Respiration, and Protection in the Soil Environment (CORPSE) model, which captures non-linearity resulting from interactions between vertically-heterogeneous soil carbon and water profiles. We present comparisons of simulated water table depth to observations. We examine sensitivities to

  8. Kinetic coefficients for the biological treatment of tannery wastewater

    International Nuclear Information System (INIS)

    Haydar, S.

    2008-01-01

    Determination of kinetic coefficients for a particular wastewater is imperative for the rational design of biological treatment-facilities. The present study was undertaken with the objective of finding out kinetic coefficients for tannery wastewater. A bench-scale model of aerated lagoon, consisting of an aeration tank and final clarifier, was use to conduct the studies. The model was operated continuously for 96 days, by varying the detention times from 3 to 9 days. Influent for the aerated lagoon was settled tannery wastewater. Biochemical oxygen demand (BOD) of the influent and effluent and the mixed-liquor suspended solids (MLSS) of aeration tank were determined at various detention-times so as to generate data for kinetic coefficients. The kinetic coefficients k, Ks, Y and Ed were found to be 3.125 day/sup -1/, 488 mg/L, 0.64 and 0.035 day/sup -1/ respectively. Overall rate-constant of BOD, removal 'K' was also determined and was found to be 1.43 day/sup -1/. Kinetic coefficients were determined, at mean reactor-temperature of 30.2 degree C. These coefficients may be utilized for the design of biological-treatment facilities for tannery wastewater. (author)

  9. Generation of large-scale vorticity in rotating stratified turbulence with inhomogeneous helicity: mean-field theory

    Science.gov (United States)

    Kleeorin, N.

    2018-06-01

    We discuss a mean-field theory of the generation of large-scale vorticity in a rotating density stratified developed turbulence with inhomogeneous kinetic helicity. We show that the large-scale non-uniform flow is produced due to either a combined action of a density stratified rotating turbulence and uniform kinetic helicity or a combined effect of a rotating incompressible turbulence and inhomogeneous kinetic helicity. These effects result in the formation of a large-scale shear, and in turn its interaction with the small-scale turbulence causes an excitation of the large-scale instability (known as a vorticity dynamo) due to a combined effect of the large-scale shear and Reynolds stress-induced generation of the mean vorticity. The latter is due to the effect of large-scale shear on the Reynolds stress. A fast rotation suppresses this large-scale instability.

  10. Effect of LES models on the entrainment characteristics in a turbulent planar jet

    Science.gov (United States)

    Chambel Lopes, Diogo; da Silva, Carlos; Raman, Venkat

    2012-11-01

    The effect of subgrid-scale (SGS) models in the jet spreading rate and centreline passive scalar decay rates are assessed and compared. The modelling of the subgrid-scale fluxes is particularly challenging in the turbulent/nonturbulent (T/NT) region that divides the two regions in the jet flow: the outer region where the flow is irrotational and the inner region where the flow is turbulent: it has been shown that important Reynolds stresses exist near the T/NT interface and that these stresses determine in part the mixing and combustion rates in jets. In this work direct and large-eddy simulations (DNS/LES) of turbulent planar jets are used to study the role of subgrid-scale models in the integral characteristics of the passive scalar mixing in a jet. LES show that different SGS modes lead to different spreading rates for the velocity and scalar fields, and the scalar quantities are more affected than the velocity e.g. SGS models affect strongly the centreline mean scalar decay than the centreline mean velocity decay. The results suggest the need for a minimum resolution close to the Taylor micro-scale in order to recover the correct results for the integral quantities and this can be explained by recent results on the dynamics of the T/NT interface.

  11. Spatial Inhomogeneity of Kinetic and Magnetic Dissipations in Thermal Convection

    Energy Technology Data Exchange (ETDEWEB)

    Hotta, H. [Department of Physics, Graduate School of Science, Chiba university, 1-33 Yayoi-cho, Inage-ku, Chiba, 263-8522 (Japan)

    2017-08-20

    We investigate the inhomogeneity of kinetic and magnetic dissipations in thermal convection using high-resolution calculations. In statistically steady turbulence, the injected and dissipated energies are balanced. This means that a large amount of energy is continuously converted into internal energy via dissipation. As in thermal convection, downflows are colder than upflows and the inhomogeneity of the dissipation potentially changes the convection structure. Our investigation of the inhomogeneity of the dissipation shows the following. (1) More dissipation is seen around the bottom of the calculation domain, and this tendency is promoted with the magnetic field. (2) The dissipation in the downflow is much larger than that in the upflow. The dissipation in the downflow is more than 80% of the total at maximum. This tendency is also promoted with the magnetic field. (3) Although 2D probability density functions of the kinetic and magnetic dissipations versus the vertical velocity are similar, the kinetic and magnetic dissipations are not well correlated. Our result suggests that the spatial inhomogeneity of the dissipation is significant and should be considered when modeling a small-scale strong magnetic field generated with an efficient small-scale dynamo for low-resolution calculations.

  12. LOW-MASS GALAXY FORMATION IN COSMOLOGICAL ADAPTIVE MESH REFINEMENT SIMULATIONS: THE EFFECTS OF VARYING THE SUB-GRID PHYSICS PARAMETERS

    International Nuclear Information System (INIS)

    ColIn, Pedro; Vazquez-Semadeni, Enrique; Avila-Reese, Vladimir; Valenzuela, Octavio; Ceverino, Daniel

    2010-01-01

    We present numerical simulations aimed at exploring the effects of varying the sub-grid physics parameters on the evolution and the properties of the galaxy formed in a low-mass dark matter halo (∼7 x 10 10 h -1 M sun at redshift z = 0). The simulations are run within a cosmological setting with a nominal resolution of 218 pc comoving and are stopped at z = 0.43. For simulations that cannot resolve individual molecular clouds, we propose the criterion that the threshold density for star formation, n SF , should be chosen such that the column density of the star-forming cells equals the threshold value for molecule formation, N ∼ 10 21 cm -2 , or ∼8 M sun pc -2 . In all of our simulations, an extended old/intermediate-age stellar halo and a more compact younger stellar disk are formed, and in most cases, the halo's specific angular momentum is slightly larger than that of the galaxy, and sensitive to the SF/feedback parameters. We found that a non-negligible fraction of the halo stars are formed in situ in a spheroidal distribution. Changes in the sub-grid physics parameters affect significantly and in a complex way the evolution and properties of the galaxy: (1) lower threshold densities n SF produce larger stellar effective radii R e , less peaked circular velocity curves V c (R), and greater amounts of low-density and hot gas in the disk mid-plane; (2) when stellar feedback is modeled by temporarily switching off radiative cooling in the star-forming regions, R e increases (by a factor of ∼2 in our particular model), the circular velocity curve becomes flatter, and a complex multi-phase gaseous disk structure develops; (3) a more efficient local conversion of gas mass to stars, measured by a stellar particle mass distribution biased toward larger values, increases the strength of the feedback energy injection-driving outflows and inducing burstier SF histories; (4) if feedback is too strong, gas loss by galactic outflows-which are easier to produce in low

  13. Instabilities and chaos in a kinetic equation for active nematics

    International Nuclear Information System (INIS)

    Shi, Xia-qing; Ma, Yu-qiang; Chaté, Hugues

    2014-01-01

    We study dry active nematics at the kinetic equation level, stressing the differences with the well-known Doi theory for non-active rods near thermal equilibrium. By deriving hydrodynamic equations from the kinetic equation, we show analytically that these two description levels share the same qualitative phase diagram, as defined by the linear instability limits of spatially-homogeneous solutions. In particular, we show that the ordered, homogeneous state is unstable in a region bordering the linear onset of nematic order, and is only linearly stable deeper in the ordered phase. Direct simulations of the kinetic equation reveal that its solutions are chaotic in the region of linear instability of the ordered homogeneous state. The local mechanisms for this large-scale chaos are discussed. (paper)

  14. Puff-on-cell model for computing pollutant transport and diffusion

    International Nuclear Information System (INIS)

    Sheih, C.M.

    1975-01-01

    Most finite-difference methods of modeling pollutant dispersion have been shown to introduce numerical pseudodiffusion, which can be much larger than the true diffusion in the fluid flow and can even generate negative values in the predicted pollutant concentrations. Two attempts to minimize the effect of pseudodiffusion are discussed with emphasis on the particle-in-cell (PIC) method of Sklarew. This paper describes a method that replaces Sklarew's numerous particles in a grid volume, and parameterizes subgrid-scale concentration with a Gaussian puff, and thus avoids the computation of the moments, as in the model of Egan and Mahoney by parameterizing subgrid-scale concentration with a Guassian puff

  15. Kinetic Typography

    DEFF Research Database (Denmark)

    van Leeuwen, Theo; Djonov, Emilia

    2014-01-01

    After discussing broad cultural drivers behind the development of kinetic typography, the chapter outlines an approach to analysing kinetic typography which is based on Halliday's theory of transitivity, as applied by Kress and Van Leeuwen to visual images.......After discussing broad cultural drivers behind the development of kinetic typography, the chapter outlines an approach to analysing kinetic typography which is based on Halliday's theory of transitivity, as applied by Kress and Van Leeuwen to visual images....

  16. Near-Bed Turbulent Kinetic Energy Budget Under a Large-Scale Plunging Breaking Wave Over a Fixed Bar

    Science.gov (United States)

    van der Zanden, Joep; van der A, Dominic A.; Cáceres, Iván.; Hurther, David; McLelland, Stuart J.; Ribberink, Jan S.; O'Donoghue, Tom

    2018-02-01

    Hydrodynamics under regular plunging breaking waves over a fixed breaker bar were studied in a large-scale wave flume. A previous paper reported on the outer flow hydrodynamics; the present paper focuses on the turbulence dynamics near the bed (up to 0.10 m from the bed). Velocities were measured with high spatial and temporal resolution using a two component laser Doppler anemometer. The results show that even at close distance from the bed (1 mm), the turbulent kinetic energy (TKE) increases by a factor five between the shoaling, and breaking regions because of invasion of wave breaking turbulence. The sign and phase behavior of the time-dependent Reynolds shear stresses at elevations up to approximately 0.02 m from the bed (roughly twice the elevation of the boundary layer overshoot) are mainly controlled by local bed-shear-generated turbulence, but at higher elevations Reynolds stresses are controlled by wave breaking turbulence. The measurements are subsequently analyzed to investigate the TKE budget at wave-averaged and intrawave time scales. Horizontal and vertical turbulence advection, production, and dissipation are the major terms. A two-dimensional wave-averaged circulation drives advection of wave breaking turbulence through the near-bed layer, resulting in a net downward influx in the bar trough region, followed by seaward advection along the bar's shoreward slope, and an upward outflux above the bar crest. The strongly nonuniform flow across the bar combined with the presence of anisotropic turbulence enhances turbulent production rates near the bed.

  17. Kinetic Simulations of Type II Radio Burst Emission Processes

    Science.gov (United States)

    Ganse, U.; Spanier, F. A.; Vainio, R. O.

    2011-12-01

    The fundamental emission process of Type II Radio Bursts has been under discussion for many decades. While analytic deliberations point to three wave interaction as the source for fundamental and harmonic radio emissions, sparse in-situ observational data and high computational demands for kinetic simulations have not allowed for a definite conclusion to be reached. A popular model puts the radio emission into the foreshock region of a coronal mass ejection's shock front, where shock drift acceleration can create eletrcon beam populations in the otherwise quiescent foreshock plasma. Beam-driven instabilities are then assumed to create waves, forming the starting point of three wave interaction processes. Using our kinetic particle-in-cell code, we have studied a number of emission scenarios based on electron beam populations in a CME foreshock, with focus on wave-interaction microphysics on kinetic scales. The self-consistent, fully kinetic simulations with completely physical mass-ratio show fundamental and harmonic emission of transverse electromagnetic waves and allow for detailled statistical analysis of all contributing wavemodes and their couplings.

  18. Kinetic Interpretation of Nitrogen Removal in Pilot Scale Experiments

    DEFF Research Database (Denmark)

    Harremoës, Poul; Sinkjær, Ole

    1995-01-01

    with biological and chemical phosphorus removal. Nitrification and denitrification rates have been measured in batch tests on activated sludge extracted from the pilot plants and by measuring transient concentrations during the alternating mode of operation in the aerobic and anoxic tanks. The data were......Pilot plant experiments have been performed over a period of four years in order to establish an experimental basis for the upgrading of the treatment plants of The City of Copenhagen to nutrient removal. The choice of design is the alternating mode of operating biological nitrogen removal...... normalized to standard conditions by correcting them according to the kinetic theory. The average normalized nitrification rate was measured to be between 54 and 60 mg NH~-N/(g VSSn~t' h) by different test methods at 7°C. The denitrification rate was measured to vary between 0.85 and 0.95mg NO~--N/(g VSS. h...

  19. Rotational and divergent kinetic energy in the mesoscale model ALADIN

    Directory of Open Access Journals (Sweden)

    V. Blažica

    2013-03-01

    Full Text Available Kinetic energy spectra from the mesoscale numerical weather prediction (NWP model ALADIN with horizontal resolution 4.4 km are split into divergent and rotational components which are then compared at horizontal scales below 300 km and various vertical levels. It is shown that about 50% of kinetic energy in the free troposphere in ALADIN is divergent energy. The percentage increases towards 70% near the surface and in the upper troposphere towards 100 hPa. The maximal percentage of divergent energy is found at stratospheric levels around 100 hPa and at scales below 100 km which are not represented by the global models. At all levels, the divergent energy spectra are characterised by shallower slopes than the rotational energy spectra, and the difference increases as horizontal scales become larger. A very similar vertical distribution of divergent energy is obtained by using the standard ALADIN approach for the computation of spectra based on the extension zone and by applying detrending approach commonly used in mesoscale NWP community.

  20. Modelling and experimental evaluation of reaction kinetics in reactive extraction for chiral separation of amines, amino acids and amino-alcohols

    NARCIS (Netherlands)

    Steensma, M.; Kuipers, N.J.M.; de Haan, A.B.; Kwant, Gerard

    2007-01-01

    This paper reports on determination of the intrinsic reaction kinetics in reactive extraction of chiral compounds. It is important to know the mass transfer rates and reaction kinetics separately for a reliable scale-up. A kinetic model is developed to interpret the experimental data from the

  1. Developments in kinetic modelling of chalcocite particle oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Jaervi, J; Ahokainen, T; Jokilaakso, A [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Materials Processing and Powder Metallurgy

    1998-12-31

    A mathematical model for simulating chalcocite particle oxidation is presented. Combustion of pure chalcocite with oxygen is coded as a kinetic module which can be connected as a separate part of commercial CFD-package, PHOENICS. Heat transfer, fluid flow and combustion phenomena can be simulated using CFD-calculation together with the kinetic model. Interaction between gas phase and particles are taken into account by source terms. The aim of the kinetic model is to calculate the particle temperature, contents of species inside the particle, oxygen consumption and formation of sulphur dioxide. Four oxidation reactions are considered and the shrinking core model is used to describe the rate of the oxidation reactions. The model is verified by simulating the particle oxidation reactions in a laboratory scale laminar-flow furnace under different conditions and the model predicts the effects of charges correctly. In the future, the model validation will be done after experimental studies in the laminar flow-furnace. (author) 18 refs.

  2. Developments in kinetic modelling of chalcocite particle oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Jaervi, J.; Ahokainen, T.; Jokilaakso, A. [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Materials Processing and Powder Metallurgy

    1997-12-31

    A mathematical model for simulating chalcocite particle oxidation is presented. Combustion of pure chalcocite with oxygen is coded as a kinetic module which can be connected as a separate part of commercial CFD-package, PHOENICS. Heat transfer, fluid flow and combustion phenomena can be simulated using CFD-calculation together with the kinetic model. Interaction between gas phase and particles are taken into account by source terms. The aim of the kinetic model is to calculate the particle temperature, contents of species inside the particle, oxygen consumption and formation of sulphur dioxide. Four oxidation reactions are considered and the shrinking core model is used to describe the rate of the oxidation reactions. The model is verified by simulating the particle oxidation reactions in a laboratory scale laminar-flow furnace under different conditions and the model predicts the effects of charges correctly. In the future, the model validation will be done after experimental studies in the laminar flow-furnace. (author) 18 refs.

  3. Kinetics of Natural Attenuation: Review of the Critical Chemical Conditions and Measurements at Bore Scale

    Directory of Open Access Journals (Sweden)

    O. Atteia

    2002-01-01

    Full Text Available This paper describes the chemical conditions that should favour the biodegradation of organic pollutants. Thermodynamic considerations help to define the reaction that can occur under defined chemical conditions. The BTEX (benzene, toluene, ethylbenzene, and xylene degradation is focused on benzene, as it is the most toxic oil component and also because it has the slowest degradation rate under most field conditions. Several studies on benzene degradation allow the understanding of the basic degradation mechanisms and their importance in field conditions. The use of models is needed to interpret field data when transport, retardation, and degradation occur. A detailed comparison of two existing models shows that the limits imposed by oxygen transport must be simulated precisely to reach correct plumes shapes and dimensions, and that first-order kinetic approaches may be misleading. This analysis led us to develop a technique to measure directly biodegradation in the field. The technique to recirculate water at the borehole scale and the CO2 analysis are depicted. First results of biodegradation show that this technique is able to easily detect the degradation of 1 mg/l of hydrocarbons and that, in oxic media, a fast degradation rate of mixed fuel is observed.

  4. Air quality impact of two power plants using a sub-grid

    International Nuclear Information System (INIS)

    Drevet, Jerome; Musson-Genon, Luc

    2012-01-01

    Modeling point source emissions of air pollutants with regional Eulerian models is likely to lead to errors because a 3D Eulerian model is not able to correctly reproduce the evolution of a plume near its source. To overcome these difficulties, we applied a Gaussian puff model - imbedded within a 3D Eulerian model - for an impact assessment of EDF fossil fuel-fired power plants of Porcheville and Vitry, Ile-de-France. We simulated an entire year of atmospheric processes for an area covering the Paris region with the Polyphemus platform with which we conducted various scenarios with or without a Gaussian puff model, referred as Plume-in-grid, to independently handle 'with major point source emissions in Ile-de-France. Our study focuses on four chemical compounds (NO, NO 2 , SO 2 and O 3 ). The use of a Gaussian model is important, particularly for primary compounds with low reactivity such as SO, especially as industrial stacks are the major source of its emissions. SO 2 concentrations simulated using Plume-in-grid tare closer to the concentrations measured by the stations of the air quality agencies (Associations Agreees de Surveillance de la Qualite de l'Air, AASQA), although they remain largely overestimated. The use of a Gaussian model increases the concentrations near the source and lowers background levels of various chemical species (except O 3 ). The simulated concentrations may vary by over 30 % depending on whether we consider the Gaussian model for primary compounds such as SO 2 and NO, and around 2 % for secondary compounds such as NO 2 and O 3 . Regarding the impact of fossil fuel-fired power plants, simulated concentrations are increased by about 1 μg/m 3 approximately for SO 2 annual averages close to the Porcheville stack and are lowered by about 0.5 μg/m 3 far from the sources, highlighting the less diffusive character of the Gaussian model by comparison with the Eulerian model. The integration of a sub-grid Gaussian model offers the advantage of

  5. Ultrafast Carbon Dioxide Sorption Kinetics Using Lithium Silicate Nanowires.

    Science.gov (United States)

    Nambo, Apolo; He, Juan; Nguyen, Tu Quang; Atla, Veerendra; Druffel, Thad; Sunkara, Mahendra

    2017-06-14

    In this paper, the Li 4 SiO 4 nanowires (NWs) were shown to be promising for CO 2 capture with ultrafast kinetics. Specifically, the nanowire powders exhibited an uptake of 0.35 g g -1 of CO 2 at an ultrafast adsorption rate of 0.22 g g -1 min -1 at 650-700 °C. Lithium silicate (Li 4 SiO 4 ) nanowires and nanopowders were synthesized using a "solvo-plasma" technique involving plasma oxidation of silicon precursors mixed with lithium hydroxide. The kinetic parameter values (k) extracted from sorption kinetics obtained using NW powders are 1 order of magnitude higher than those previously reported for the Li 4 SiO 4 -CO 2 reaction system. The time scales for CO 2 sorption using nanowires are approximately 3 min and two orders magnitude faster compared to those obtained using lithium silicate powders with spherical morphologies and aggregates. Furthermore, Li 4 SiO 4 nanowire powders showed reversibility through sorption-desorption cycles indicating their suitability for CO 2 capture applications. All of the morphologies of Li 4 SiO 4 powders exhibited a double exponential behavior in the adsorption kinetics indicating two distinct time constants for kinetic and the mass transfer limited regimes.

  6. Understanding Yield Anomalies in ICF Implosions via Fully Kinetic Simulations

    Science.gov (United States)

    Taitano, William

    2017-10-01

    In the quest towards ICF ignition, plasma kinetic effects are among prime candidates for explaining some significant discrepancies between experimental observations and rad-hydro simulations. To assess their importance, high-fidelity fully kinetic simulations of ICF capsule implosions are needed. Owing to the extremely multi-scale nature of the problem, kinetic codes have to overcome nontrivial numerical and algorithmic challenges, and very few options are currently available. Here, we present resolutions of some long-standing yield discrepancy conundrums using a novel, LANL-developed, 1D-2V Vlasov-Fokker-Planck code iFP. iFP possesses an unprecedented fidelity and features fully implicit time-stepping, exact mass, momentum, and energy conservation, and optimal grid adaptation in phase space, all of which are critically important for ensuring long-time numerical accuracy of the implosion simulations. Specifically, we concentrate on several anomalous yield degradation instances observed in Omega campaigns, with the so-called ``Rygg effect'', or an anomalous yield scaling with the fuel composition, being a prime example. Understanding the physical mechanisms responsible for such degradations in non-ignition-grade Omega experiments is of great interest, as such experiments are often used for platform and diagnostic development, which are then used in ignition-grade experiments on NIF. In the case of Rygg's experiments, effects of a kinetic stratification of fuel ions on the yield have been previously proposed as the anomaly explanation, studied with a kinetic code FPION, and found unimportant. We have revisited this issue with iFP and obtained excellent yield-over-clean agreement with the original Rygg results, and several subsequent experiments. This validates iFP and confirms that the kinetic fuel stratification is indeed at the root of the observed yield degradation. This work was sponsored by the Metropolis Postdoctoral Fellowship, LDRD office, Thermonuclear Burn

  7. Scaling Effects of Cr(VI) Reduction Kinetics. The Role of Geochemical Heterogeneity

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Li [Pennsylvania State Univ., State College, PA (United States); Li, Li [Pennsylvania State Univ., State College, PA (United States)

    2015-10-22

    The natural subsurface is highly heterogeneous with minerals distributed in different spatial patterns. Fundamental understanding of how mineral spatial distribution patterns regulate sorption process is important for predicting the transport and fate of chemicals. Existing studies about the sorption was carried out in well-mixed batch reactors or uniformly packed columns, with few data available on the effects of spatial heterogeneities. As a result, there is a lack of data and understanding on how spatial heterogeneities control sorption processes. In this project, we aim to understand and develop modeling capabilities to predict the sorption of Cr(VI), an omnipresent contaminant in natural systems due to its natural occurrence and industrial utilization. We systematically examine the role of spatial patterns of illite, a common clay, in determining the extent of transport limitation and scaling effects associated with Cr(VI) sorption capacity and kinetics using column experiments and reactive transport modeling. Our results showed that the sorbed mass and rates can differ by an order of magnitude due to of the illite spatial heterogeneities and transport limitation. With constraints from data, we also developed the capabilities of modeling Cr(VI) in heterogeneous media. The developed model is then utilized to understand the general principles that govern the relationship between sorption and connectivity, a key measure of the spatial pattern characteristics. This correlation can be used to estimate Cr(VI) sorption characteristics in heterogeneous porous media. Insights gained here bridge gaps between laboratory and field application in hydrogeology and geochemical field, and advance predictive understanding of reactive transport processes in the natural heterogeneous subsurface. We believe that these findings will be of interest to a large number of environmental geochemists and engineers, hydrogeologists, and those interested in contaminant fate and transport

  8. KINETIC PLASMA TURBULENCE IN THE FAST SOLAR WIND MEASURED BY CLUSTER

    International Nuclear Information System (INIS)

    Roberts, O. W.; Li, X.; Li, B.

    2013-01-01

    The k-filtering technique and wave polarization analysis are applied to Cluster magnetic field data to study plasma turbulence at the scale of the ion gyroradius in the fast solar wind. Waves are found propagating in directions nearly perpendicular to the background magnetic field at such scales. The frequencies of these waves in the solar wind frame are much smaller than the proton gyrofrequency. After the wavevector k is determined at each spacecraft frequency f sc , wave polarization property is analyzed in the plane perpendicular to k. Magnetic fluctuations have δB > δB ∥ (here the ∥ and refer to the background magnetic field B 0 ). The wave magnetic field has right-handed polarization at propagation angles θ kB 90°. The magnetic field in the plane perpendicular to B 0 , however, has no clear sense of a dominant polarization but local rotations. We discuss the merits and limitations of linear kinetic Alfvén waves (KAWs) and coherent Alfvén vortices in the interpretation of the data. We suggest that the fast solar wind turbulence may be populated with KAWs, small-scale current sheets, and Alfvén vortices at ion kinetic scales.

  9. Numerical and experimental study of the fundamental flow characteristics of a 3D gully box under drainage.

    Science.gov (United States)

    Lopes, Pedro; Carvalho, Rita F; Leandro, Jorge

    2017-05-01

    Numerical studies regarding the influence of entrapped air on the hydraulic performance of gullies are nonexistent. This is due to the lack of a model that simulates the air-entrainment phenomena and consequently the entrapped air. In this work, we used experimental data to validate an air-entrainment model that uses a Volume-of-Fluid based method to detect the interface and the Shear-stress transport k-ω turbulence model. The air is detected in a sub-grid scale, generated by a source term and transported using a slip velocity formulation. Results are shown in terms of free-surface elevation, velocity profiles, turbulent kinetic energy and discharge coefficients. The air-entrainment model allied to the turbulence model showed a good accuracy in the prediction of the zones of the gully where the air is more concentrated.

  10. Large-eddy simulation of ethanol spray combustion using a finite-rate combustion model

    Energy Technology Data Exchange (ETDEWEB)

    Li, K.; Zhou, L.X. [Tsinghua Univ., Beijing (China). Dept. of Engineering Mechanics; Chan, C.K. [Hong Kong Polytechnic Univ. (China). Dept. of Applied Mathematics

    2013-07-01

    Large-eddy simulation of spray combustion is under its rapid development, but the combustion models are less validated by detailed experimental data. In this paper, large-eddy simulation of ethanol-air spray combustion was made using an Eulerian-Lagrangian approach, a subgrid-scale kinetic energy stress model, and a finite-rate combustion model. The simulation results are validated in detail by experiments. The LES obtained statistically averaged temperature is in agreement with the experimental results in most regions. The instantaneous LES results show the coherent structures of the shear region near the high-temperature flame zone and the fuel vapor concentration map, indicating the droplets are concentrated in this shear region. The droplet sizes are found to be in the range of 20-100{mu}m. The instantaneous temperature map shows the close interaction between the coherent structures and the combustion reaction.

  11. Characterization of Cloud Water-Content Distribution

    Science.gov (United States)

    Lee, Seungwon

    2010-01-01

    The development of realistic cloud parameterizations for climate models requires accurate characterizations of subgrid distributions of thermodynamic variables. To this end, a software tool was developed to characterize cloud water-content distributions in climate-model sub-grid scales. This software characterizes distributions of cloud water content with respect to cloud phase, cloud type, precipitation occurrence, and geo-location using CloudSat radar measurements. It uses a statistical method called maximum likelihood estimation to estimate the probability density function of the cloud water content.

  12. Water dependency and water exploitation at global scale as indicators of water security

    Science.gov (United States)

    De Roo, A. P. J.; Beck, H.; Burek, P.; Bernard, B.

    2015-12-01

    A water dependency index has been developed indicating the dependency of water consumption from upstream sources of water, sometimes across (multiple) national border. This index is calculated at global scale using the 0.1 global LISFLOOD hydrological modelling system forced by WFDEI meteorological data for the timeframe 1979-2012. The global LISFLOOD model simulates the most important hydrological processes, as well as water abstraction and consumption from various sectors, and flood routing, at daily scale, with sub-timesteps for routing and subgrid parameterization related to elevation and landuse. The model contains also options for water allocation, to allow preferences of water use for particular sectors in water scarce periods. LISFLOOD is also used for the Global Flood Awareness System (GloFAS), the European Flood Awareness System (EFAS), continental scale climate change impact studies on floods and droughts. The water dependency indicator is calculated on a monthly basis, and various annual and multiannual indicators are derived from it. In this study, the indicator will be compared against water security areas known from other studies. Other indicators calculated are the Water Exploitation Index (WEI+), which is a commonly use water security indicator in Europe, and freshwater resources per capita indicators at regional, national and river basin scale. Several climate scnearios are run to indicate future trends in water security.

  13. The kinetically dominated quasar 3C 418

    Science.gov (United States)

    Punsly, Brian; Kharb, Preeti

    2017-06-01

    The existence of quasars that are kinetically dominated, where the jet kinetic luminosity, Q, is larger than the total (infrared to X-ray) thermal luminosity of the accretion flow, Lbol, provides a strong constraint on the fundamental physics of relativistic jet formation. Since quasars have high values of Lbol by definition, only ˜10 kinetically dominated quasars (with \\overline{Q}/L_{bol}>1) have been found, where \\overline{Q} is the long-term time-averaged jet power. We use low-frequency (151 MHz-1.66 GHz) observations of the quasar 3C 418 to determine \\overline{Q}≈ 5.5 ± 1.3 × 10^{46} {erg s^{-1}}. Analysis of the rest-frame ultraviolet spectrum indicates that this equates to 0.57 ± 0.28 times the Eddington luminosity of the central supermassive black hole and \\overline{Q}/L_{bol} ≈ 4.8 ± 3.1, making 3C 418 one of the most kinetically dominated quasars found to date. It is shown that this maximal \\overline{Q}/L_{bol} is consistent with models of magnetically arrested accretion of jet production in which the jet production reproduces the observed trend of a decrement in the extreme ultraviolet continuum as the jet power increases. This maximal condition corresponds to an almost complete saturation of the inner accretion flow with vertical large-scale magnetic flux (maximum saturation).

  14. Catastrophic Disruption Threshold and Maximum Deflection from Kinetic Impact

    Science.gov (United States)

    Cheng, A. F.

    2017-12-01

    The use of a kinetic impactor to deflect an asteroid on a collision course with Earth was described in the NASA Near-Earth Object Survey and Deflection Analysis of Alternatives (2007) as the most mature approach for asteroid deflection and mitigation. The NASA DART mission will demonstrate asteroid deflection by kinetic impact at the Potentially Hazardous Asteroid 65803 Didymos in October, 2022. The kinetic impactor approach is considered to be applicable with warning times of 10 years or more and with hazardous asteroid diameters of 400 m or less. In principle, a larger kinetic impactor bringing greater kinetic energy could cause a larger deflection, but input of excessive kinetic energy will cause catastrophic disruption of the target, leaving possibly large fragments still on collision course with Earth. Thus the catastrophic disruption threshold limits the maximum deflection from a kinetic impactor. An often-cited rule of thumb states that the maximum deflection is 0.1 times the escape velocity before the target will be disrupted. It turns out this rule of thumb does not work well. A comparison to numerical simulation results shows that a similar rule applies in the gravity limit, for large targets more than 300 m, where the maximum deflection is roughly the escape velocity at momentum enhancement factor β=2. In the gravity limit, the rule of thumb corresponds to pure momentum coupling (μ=1/3), but simulations find a slightly different scaling μ=0.43. In the smaller target size range that kinetic impactors would apply to, the catastrophic disruption limit is strength-controlled. A DART-like impactor won't disrupt any target asteroid down to significantly smaller size than the 50 m below which a hazardous object would not penetrate the atmosphere in any case unless it is unusually strong.

  15. Evaluation of cumulus cloud – radiation interaction effects on air quality –relevant meteorological variables from WRF, from a regional climate perspective

    Science.gov (United States)

    Aware only of the resolved, grid-scale clouds, the Weather Research & Forecasting model (WRF) does not consider the interactions between subgrid-scale convective clouds and radiation. One consequence of this omission may be WRF’s overestimation of surface precipitation during sum...

  16. CH4/air homogeneous autoignition: A comparison of two chemical kinetics mechanisms

    KAUST Repository

    Tingas, Efstathios Al.

    2018-03-11

    Reactions contributing to the generation of the explosive time scale that characterise autoignition of homogeneous stoichiometric CH4/air mixture are identified using two different chemical kinetics models; the well known GRI-3.0 mechanism (53/325 species/reactions with N-chemistry) and the AramcoMech mechanism from NUI Galway (113/710 species/reactions without N-chemistry; Combustion and Flame 162:315-330, 2015). Although the two mechanisms provide qualitatively similar results (regarding ignition delay and profiles of temperature, of mass fractions and of explosive time scale), the 113/710 mechanism was shown to reproduce the experimental data with higher accuracy than the 53/325 mechanism. The present analysis explores the origin of the improved accuracy provided by the more complex kinetics mechanism. It is shown that the reactions responsible for the generation of the explosive time scale differ significantly. This is reflected to differences in the length of the chemical and thermal runaways and in the set of the most influential species.

  17. Cesium removal and kinetics equilibrium: Precipitation kinetics

    International Nuclear Information System (INIS)

    Barnes, M.J.

    1999-01-01

    This task consisted of both non-radioactive and radioactive (tracer) tests examining the influence of potentially significant variables on cesium tetraphenylborate precipitation kinetics. The work investigated the time required to reach cesium decontamination and the conditions that affect the cesium precipitation kinetics

  18. Experimental study and kinetic modeling of the hydro-fluorination of uranium dioxide

    International Nuclear Information System (INIS)

    Pages, Simon

    2014-01-01

    A kinetic study of hydro-fluorination of uranium dioxide was performed between 375 and 475 C under partial pressures of HF between 42 and 720 mbar. The reaction was followed by thermogravimetry in isothermal and isobaric conditions. The kinetic data obtained coupled with a characterization of the powder before, during and after reaction by SEM, EDS, BET and XRD showed that the powder grains of UO 2 are transformed according a model of instantaneous germination, anisotropic growth and internal development. The rate limiting step of the growth process is the diffusion of HF in the UF 4 layer. A mechanism of growth of the UF 4 layer has been proposed. In the temperature and pressure range studied, the reaction is of first order with respect to HF and follows an Arrhenius law. A rate equation was determined and used to perform kinetic simulations which have shown a very good correlation with experience. Coupling of this rate equation with heat and mass transport phenomena allowed to perform simulations at the scale of a powder's agglomerate. They have shown that some structures of agglomerates influence the rate of diffusion of the gases in the porous medium and thereby influence the reaction rate. Finally kinetic simulations on powder's beds and pellets were carried out and compared with experimental rates. The experimental and simulated kinetic curves have the same paces, but improvements in the simulations are needed to accurately predict rates: the coupling between the three scales (grain, agglomerate, oven) would be a good example. (author) [fr

  19. Kinetic Uptake Studies of Powdered Materials in Solution

    Directory of Open Access Journals (Sweden)

    Mohamed H. Mohamed

    2015-06-01

    Full Text Available Challenges exist for the study of time dependent sorption processes for heterogeneous systems, especially in the case of dispersed nanomaterials in solvents or solutions because they are not well suited to conventional batch kinetic experiments. In this study, a comparison of batch versus a one-pot setup in two variable configurations was evaluated for the study of uptake kinetics in heterogeneous (solid/solution systems: (i conventional batch method; (ii one-pot system with dispersed adsorbent in solution with a semi-permeable barrier (filter paper or dialysis tubing for in situ sampling; and (iii one-pot system with an adsorbent confined in a semi-permeable barrier (dialysis tubing or filter paper barrier with ex situ sampling. The sorbent systems evaluated herein include several cyclodextrin-based polyurethane materials with two types of phenolic dyes: p-nitrophenol and phenolphthalein. The one-pot kinetics method with in situ (Method ii or ex situ (Method iii sampling described herein offers significant advantages for the study of heterogeneous sorption kinetics of highly dispersed sorbent materials with particles sizes across a range of dimensions from the micron to nanometer scale. The method described herein will contribute positively to the development of advanced studies for heterogeneous sorption processes where an assessment of the relative uptake properties is required at different experimental conditions. The results of this study will be advantageous for the study of nanomaterials with significant benefits over batch kinetic studies for a wide range of heterogeneous sorption processes.

  20. A reduced-order modeling approach to represent subgrid-scale hydrological dynamics for land-surface simulations: application in a polygonal tundra landscape

    Science.gov (United States)

    Pau, G. S. H.; Bisht, G.; Riley, W. J.

    2014-09-01

    Existing land surface models (LSMs) describe physical and biological processes that occur over a wide range of spatial and temporal scales. For example, biogeochemical and hydrological processes responsible for carbon (CO2, CH4) exchanges with the atmosphere range from the molecular scale (pore-scale O2 consumption) to tens of kilometers (vegetation distribution, river networks). Additionally, many processes within LSMs are nonlinearly coupled (e.g., methane production and soil moisture dynamics), and therefore simple linear upscaling techniques can result in large prediction error. In this paper we applied a reduced-order modeling (ROM) technique known as "proper orthogonal decomposition mapping method" that reconstructs temporally resolved fine-resolution solutions based on coarse-resolution solutions. We developed four different methods and applied them to four study sites in a polygonal tundra landscape near Barrow, Alaska. Coupled surface-subsurface isothermal simulations were performed for summer months (June-September) at fine (0.25 m) and coarse (8 m) horizontal resolutions. We used simulation results from three summer seasons (1998-2000) to build ROMs of the 4-D soil moisture field for the study sites individually (single-site) and aggregated (multi-site). The results indicate that the ROM produced a significant computational speedup (> 103) with very small relative approximation error (training the ROM. We also demonstrate that our approach: (1) efficiently corrects for coarse-resolution model bias and (2) can be used for polygonal tundra sites not included in the training data set with relatively good accuracy (< 1.7% relative error), thereby allowing for the possibility of applying these ROMs across a much larger landscape. By coupling the ROMs constructed at different scales together hierarchically, this method has the potential to efficiently increase the resolution of land models for coupled climate simulations to spatial scales consistent with

  1. Basis set approach in the constrained interpolation profile method

    International Nuclear Information System (INIS)

    Utsumi, T.; Koga, J.; Yabe, T.; Ogata, Y.; Matsunaga, E.; Aoki, T.; Sekine, M.

    2003-07-01

    We propose a simple polynomial basis-set that is easily extendable to any desired higher-order accuracy. This method is based on the Constrained Interpolation Profile (CIP) method and the profile is chosen so that the subgrid scale solution approaches the real solution by the constraints from the spatial derivative of the original equation. Thus the solution even on the subgrid scale becomes consistent with the master equation. By increasing the order of the polynomial, this solution quickly converges. 3rd and 5th order polynomials are tested on the one-dimensional Schroedinger equation and are proved to give solutions a few orders of magnitude higher in accuracy than conventional methods for lower-lying eigenstates. (author)

  2. Simulation of ITG instabilities with fully kinetic ions and drift-kinetic electrons in tokamaks

    Science.gov (United States)

    Hu, Youjun; Chen, Yang; Parker, Scott

    2017-10-01

    A turbulence simulation model with fully kinetic ions and drift-kinetic electrons is being developed in the toroidal electromagnetic turbulence code GEM. This is motivated by the observation that gyrokinetic ions are not well justified in simulating turbulence in tokamak edges with steep density profile, where ρi / L is not small enough to be used a small parameter needed by the gyrokinetic ordering (here ρi is the gyro-radius of ions and L is the scale length of density profile). In this case, the fully kinetic ion model may be useful. Our model uses an implicit scheme to suppress high-frequency compressional Alfven waves and waves associated with the gyro-motion of ions. The ion orbits are advanced by using the well-known Boris scheme, which reproduces correct drift-motion even with large time-step comparable to the ion gyro-period. The field equation in this model is Ampere's law with the magnetic field eliminated by using an implicit scheme of Faraday's law. The current contributed by ions are computed by using an implicit δf method. A flux tube approximation is adopted, which makes the field equation much easier to solve. Numerical results of electromagnetic ITG obtained from this model will be presented and compared with the gyrokinetic results. This work is supported by U.S. Department of Energy, Office of Fusion Energy Sciences under Award No. DE-SC0008801.

  3. Kinetic inductance detectors (KIDs) for the SAFARI instrument on SPICA

    NARCIS (Netherlands)

    Ferrari, L.; Baryshev, A M; Baselmans, J. J. A.; de Lange, G.; Diener, P.; Kooi, J. W.; Lankwarden, J. J.; Yates, S. J. C.; Oschmann, Jacobus M.; Clampin, Mark C.; MacEwen, Howard A.

    Kinetic Inductance Detectors (KIDs) with frequency domain read-out are intrinsically very suitable to use as building blocks for very large arrays. KIDs therefore are an attractive detector option for the SAFARI instrument on SPICA, Millimetron and also for large scale ground based imaging arrays.

  4. Scale-up of heterogeneous catalytic reactions

    Energy Technology Data Exchange (ETDEWEB)

    Heggs, P; Sunderland, P

    1979-12-01

    This report on the Institution of Chemical Engineers ''Problems in Applied Catalysis'' Meeting (Bath, U.K. 1/4-5/78) covers papers on the nature of the catalyst surface, including the use of IR spectroscopy, electron energy loss spectroscopy, low-energy electron diffraction, electron spectroscopy, secondary ion mass spectroscopy, and modular-beam scattering for investigating solid surfaces and their relevance to catalysis; study of the reaction mechanisms by which catalysis takes place; use of mechanistic models to determine the true chemical kinetics illustrated for the oxidation of benzene to maleic anhydride over a vanadium pentoxide/molybdenum trioxide catalyst; the study with respect to the importance of transport effects in catalyst pellets on scale-up, falsification of true kinetics, and the design of laboratory reactors; full-scale reactor design of packed-bed reactors; and practical scale-up problems illustrated for methanol synthesis over a copper catalyst, ammonia oxidation over a cobalt oxide catalyst, and the steam reforming of naphtha.

  5. Study of the oxidation kinetics of the MA 956 superalloy

    International Nuclear Information System (INIS)

    Garcia-Alonso, M.C.; Gonzalez-Carrasco, J.L.; Escudero, M.L.

    1998-01-01

    This work deals with the oxidation kinetics of the MA 956 superalloy in the temperature range of 800-1,200 degree centigree for up to 200 h exposure. During oxidation the alloy develops a fine, compact and very well adhered α-alumina layer, the thickness of which increases with increasing time and temperature. The oxidation kinetics obeys a sub parabolic type behaviour. The scale growth seems to occur by two different oxidation mechanisms; above 1,050 degree centigree, the oxidation process would be controlled by α-alumina, and below 900 degree centigree by γ-alumina. (Author) 17 refs

  6. Large-eddy simulations of turbulence

    National Research Council Canada - National Science Library

    Lesieur, Marcel; Métais, O; Comte, P

    2005-01-01

    ... physical-space models are generally more readily applied, spectral models give insight into the requirements and limitations in subgrid-scale modeling and backscattering. A third special feature ...

  7. Adding complex terrain and stable atmospheric condition capability to the OpenFOAM-based flow solver of the simulator for on/offshore wind farm applications (SOWFA

    Directory of Open Access Journals (Sweden)

    Churchfield Matthew J.

    2014-01-01

    Full Text Available The National Renewable Energy Laboratory's Simulator for On/Offshore Wind Farm Applications contains an OpenFOAM-based flow solver for performing large-eddy simulation of flow through wind plants. The solver computes the atmospheric boundary layer flow and models turbines with actuator lines. Until recently, the solver was limited to flows over flat terrain and could only use the standard Smagorinsky subgrid-scale model. In this work, we present our improvements to the flow solver that enable us to 1 use any OpenFOAM-standard subgrid-scale model and 2 simulate flow over complex terrain. We used the flow solver to compute a stably stratified atmospheric boundary layer using both the standard and the Lagrangian-averaged scale-independent dynamic Smagorinsky models. Surprisingly, the results using the standard Smagorinsky model compare well to other researchers' results of the same case, although it is often said that the standard Smagorinsky model is too dissipative for accurate stable stratification calculations. The scale-independent dynamic subgrid-scale model produced poor results, probably due to the spikes in model constant with values as high as 4.6. We applied a simple bounding of the model constant to remove these spikes, which caused the model to produce results much more in line with other researchers' results. We also computed flow over a simple hilly terrain and performed some basic qualitative analysis to verify the proper operation of the terrain-local surface stress model we employed.

  8. Gravimetric and conductometric studies of the sedimentation kinetics in aqueous dispersions of kaoline

    International Nuclear Information System (INIS)

    Bulavyin, L.A.; Khrapatij, S.V.; Koval'chuk, V.Yi.; Klepko, V.V.; Lebovka, M.Yi.

    2006-01-01

    Using gravimetric and conductometric methods, the sedimentation kinetics in aqueous suspensions of Alekseev kaoline has been studied for pH value range from 4 to 10. It has been found that pH increasing leads to the decreasing of mean radii of flocks linearly. We found that sedimentation kinetics for intermediate pH values can be described by scaling equations that crossover time defined transition from a gravitational mechanism of deposition to the diffusion one

  9. The effects of one-dimensional glide on the reaction kinetics of interstitial clusters

    DEFF Research Database (Denmark)

    Heinisch, H.L.; Singh, B.N.; Golubov, S.I.

    2000-01-01

    is therefore 'mixed 1D/3D migration' along a 3D path consisting of 1D segments, The defect reaction kinetics under mixed 1D/3D diffusion are different from pure 1D diffusion and pure 3D diffusion, both of which can be formulated within analytical rate theory models of microstructure evolution under irradiation....... Atomic-scale kinetic Monte Carlo (kMC) defect migration simulations are used to investigate the effects of mixed 1D/3D migration on defect reaction kinetics as a guide for implementing mixed 1D/3D migration into the analytical rate theory. The functional dependence of the sink strength on the size...

  10. Heparin kinetics

    International Nuclear Information System (INIS)

    Swart, C.A.M. de.

    1983-01-01

    The author has studied the kinetics of heparin and heparin fractions after intravenous administration in humans and in this thesis the results of this study are reported. Basic knowledge about the physico-chemical properties of heparin and its interactions with proteins resulting in anticoagulant and lipolytic effects are discussed in a review (chapter II), which also comprises some clinical aspects of heparin therapy. In chapter III the kinetics of the anticoagulant effect are described after intravenous administration of five commercial heparin preparations. A mathematical model is presented that fits best to these kinetics. The kinetics of the anticoagulant and lipolytic effects after intravenous injection of various 35 S-radiolabelled heparin fractions and their relationship with the disappearance of the radiolabel are described in chapter IV. Chapter V gives a description of the kinetics of two radiolabels after injection of in vitro formed complexes consisting of purified, 125 I-radiolabelled antithrombin III and various 35 S-radiolabelled heparin fractions. (Auth.)

  11. Influence of dissolved oxygen on the nitrification kinetics in a circulating bed biofilm reactor

    Energy Technology Data Exchange (ETDEWEB)

    Nogueira, R.; Melo, L.F. [University of Minho, Braga (Portugal). Dept. Bioengineering; Lazarova, V.; Manem, J. [Centre of International Research for Water and Environment (CIRSEE), Lyonnaise des Eaux, Le Pecq (France)

    1998-12-01

    The influence of dissolved oxygen concentration on the nitrification kinetics was studied in the circulating bed reactor (CBR). The study was partly performed at laboratory scale with synthetic water, and partly at pilot scale with secondary effluent as feed water. The nitrification kinetics of the laboratory CBR as a function of the oxygen concentration can be described according to the half order and zero order rate equations of the diffusion-reaction model applied to porous catalysts. When oxygen was the rate limiting substrate, the nitrification rate was close to a half order function of the oxygen concentration. The average oxygen diffusion coefficient estimated by fitting the diffusion-reaction model to the experimental results was around 66% of the respective value in water. The experimental results showed that either the ammonia or the oxygen concentration could be limiting for the nitrification kinetics. The latter occurred for an oxygen to ammonia concentration ratio below 1.5-2 gO{sub 2}/gN-NH{sub 4}{sup +} for both laboratory and pilot scale reactors. The volumetric oxygen mass transfer coefficient (k{sub L}a) determined in the laboratory scale reactor was 0.017 s{sup -1} for a superficial air velocity of 0.02 m s{sup -1}, and the one determined in the pilot scale reactor was 0.040 s{sup -1} for a superficial air velocity of 0.031 m s{sup -1}. The k{sub L}a for the pilot scale reactor did not change significantly after biofilm development, compared to the value measured without biofilm. (orig.) With 7 figs., 5 tabs., 24 refs.

  12. Drying kinetics characteristic of Indonesia lignite coal (IBC) using lab scale fixed bed reactor

    Energy Technology Data Exchange (ETDEWEB)

    Kang, TaeJin; Jeon, DoMan; Namkung, Hueon; Jang, DongHa; Jeon, Youngshin; Kim, Hyungtaek [Ajou Univ., Suwon (Korea, Republic of). Div. of Energy Systems Research

    2013-07-01

    Recent instability of energy market arouse a lot of interest about coal which has a tremendous amount of proven coal reserves worldwide. South Korea hold the second rank by importing 80 million tons of coal in 2007 following by Japan. Among various coals, there is disused coal. It's called Low Rank Coal (LRC). Drying process has to be preceded before being utilized as power plant. In this study, drying kinetics of LRC is induced by using a fixed bed reactor. The drying kinetics was deduced from particle size, the inlet gas temperature, the drying time, the gas velocity, and the L/D ratio. The consideration on Reynold's number was taken for correction of gas velocity, particle size, and the L/D ratio was taken for correction packing height of coal. It can be found that active drying of free water and phase boundary reaction is suitable mechanism through the fixed bed reactor experiments.

  13. Pulsating Instability of Turbulent Thermonuclear Flames in Type Ia Supernovae

    Science.gov (United States)

    Poludnenko, Alexei Y.

    2014-01-01

    Presently, one of the main explosion scenarios of type Ia supernovae (SNIa), aimed at explaining both "normal" and subluminous events, is the thermonuclear incineration of a white-dwarf in a single-degenerate system. The underlying engine of such explosions is the turbulent thermonuclear flame. Modern, large-scale, multidimensional simulations of SNIa cannot resolve the internal flame structure, and instead must include a subgrid-scale prescription for the turbulent-flame properties. As a result, development of robust, parameter-free, large-scale models of SNIa crucially relies on the detailed understanding of the turbulent flame properties during each stage of the flame evolution. Due to the complexity of the flame dynamics, such understanding must be validated by the first-principles direct numerical simulations (DNS). In our previous work, we showed that sufficiently fast turbulent flames are inherently susceptible to the development of detonations, which may provide the mechanism for the deflagration-to-detonation transition (DDT) in the delayed-detonation model of SNIa. Here we extend this study by performing detailed analysis of the turbulent flame properties at turbulent intensities below the critical threshold for DDT. We carried out a suite of 3D DNS of turbulent flames for a broad range of turbulent intensities and system sizes using a simplified, single-step, Arrhenius-type reaction kinetics. Our results show that at the later stages of the explosion, as the turbulence intensity increases prior to the possible onset of DDT, the flame front will become violently unstable. We find that the burning rate exhibits periodic pulsations with the energy release rate varying by almost an order of magnitude. Furthermore, such flame pulsations can produce pressure waves and shocks as the flame speed approaches the critical Chapman-Jouguet deflagration speed. Finally, in contrast with the current theoretical understanding, such fast turbulent flames can propagate at

  14. Influence of atmospheric stability on wind-turbine wakes: A large-eddy simulation study

    Science.gov (United States)

    Abkar, Mahdi; Porté-Agel, Fernando

    2014-05-01

    In this study, large-eddy simulation is combined with a turbine model to investigate the influence of atmospheric stability on wind-turbine wakes. In the simulations, subgrid-scale turbulent fluxes are parameterized using tuning-free Lagrangian scale-dependent dynamic models. These models optimize the local value of the model coefficients based on the dynamics of the resolved scales. The turbine-induced forces are parameterized with an actuator-disk model with rotation. In this technique, blade-element theory is used to calculate the lift and drag forces acting on the blades. Emphasis is placed on the structure and characteristics of wind-turbine wakes in the cases where the incident flows to the turbine have the same mean velocity at the hub height but different stability conditions. The simulation results show that atmospheric stability has a significant effect on the spatial distribution of the mean velocity deficit and turbulent fluxes in the wake region. In particular, the magnitude of the velocity deficit increases with increasing stability in the atmosphere. In addition, the locations of the maximum turbulence intensity and turbulent stresses are closer to the turbine in convective boundary layer compared with neutral and stable ones. Detailed analysis of the resolved turbulent kinetic energy (TKE) budget inside the wake reveals also that the thermal stratification of the incoming wind considerably affects the magnitude and spatial distribution of the turbulent production, transport term and dissipation rate (transfer of energy to the subgrid scales). It is also shown that the near-wake region can be extended to a farther distance downstream in stable condition compared with neutral and unstable counterparts. In order to isolate the effect of atmospheric stability, additional simulations of neutrally-stratified atmospheric boundary layers are performed with the same turbulence intensity at hub height as convective and stable ones. The results show that the

  15. Kinetic evolutionary behavior of catalysis-select migration

    International Nuclear Information System (INIS)

    Wu Yuan-Gang; Lin Zhen-Quan; Ke Jian-Hong

    2012-01-01

    We propose a catalysis-select migration driven evolution model of two-species (A- and B-species) aggregates, where one unit of species A migrates to species B under the catalysts of species C, while under the catalysts of species D the reaction will become one unit of species B migrating to species A. Meanwhile the catalyst aggregates of species C perform self-coagulation, as do the species D aggregates. We study this catalysis-select migration driven kinetic aggregation phenomena using the generalized Smoluchowski rate equation approach with C species catalysis-select migration rate kernel K(k;i,j) = Kkij and D species catalysis-select migration rate kernel J(k;i,j)= Jkij. The kinetic evolution behaviour is found to be dominated by the competition between the catalysis-select immigration and emigration, in which the competition is between JD 0 and KC 0 (D 0 and C 0 are the initial numbers of the monomers of species D and C, respectively). When JD 0 −KC 0 > 0, the aggregate size distribution of species A satisfies the conventional scaling form and that of species B satisfies a modified scaling form. And in the case of JD 0 −KC 0 0 −KC 0 > 0 case. (interdisciplinary physics and related areas of science and technology)

  16. Addressing the Recalcitrance of Cellulose Degradation through Cellulase Discovery, Nano-scale Elucidation of Molecular Mechanisms, and Kinetic Modeling

    Energy Technology Data Exchange (ETDEWEB)

    Walker, Larry P., Bergstrom, Gary; Corgie, Stephane; Craighead, Harold; Gibson, Donna; Wilson, David

    2011-06-13

    This research project was designed to play a vital role in the development of low cost sugars from cellulosic biomass and contributing to the national effort to displace fossil fuel usage in the USA transportation sector. The goal was to expand the portfolio of cell wall degrading enzymes through innovative research at the nano-scale level, prospecting for novel cellulases and building a kinetic framework for the development of more effective enzymatic conversion processes. More precisely, the goal was to elucidate the molecular mechanisms for some cellulases that are very familiar to members of our research team and to investigate what we hope are novel cellulases or new enzyme combinations from the world of plant pathogenic fungi and bacteria. Hydrolytic activities of various cellulases and cellulase cocktails were monitored at the nanoscale of cellulose fibrils and the microscale of pretreated cellulose particles, and we integrated this insight into a heterogeneous reaction framework. The over-riding approach for this research program was the application of innovative and cutting edge optical and high-throughput screening and analysis techniques for observing how cellulases hydrolyze real substrates.

  17. CH4/air homogeneous autoignition: A comparison of two chemical kinetics mechanisms

    KAUST Repository

    Tingas, Efstathios Al.; Manias, Dimitris M.; Sarathy, Mani; Goussis, Dimitris A.

    2018-01-01

    Reactions contributing to the generation of the explosive time scale that characterise autoignition of homogeneous stoichiometric CH4/air mixture are identified using two different chemical kinetics models; the well known GRI-3.0 mechanism (53

  18. Numerical simulation of flow around the NREL S826 airfoil at moderate Reynolds number using delayed detached Eddy simulation (DDES)

    Science.gov (United States)

    Prytz, Erik R.; Huuse, Øyvind; Müller, Bernhard; Bartl, Jan; Sætran, Lars Roar

    2017-07-01

    Turbulent flow at Reynolds numbers 5 . 104 to 106 around the NREL S826 airfoil used for wind turbine blades is simulated using delayed detached eddy simulation (DDES). The 3D domain is built as a replica of the low speed wind tunnel at the Norwegian University of Science and Technology (NTNU) with the wind tunnel walls considered as slip walls. The subgrid turbulent kinetic energy is used to model the sub-grid scale in the large eddy simulation (LES) part of DDES. Different Reynoldsaveraged Navier-Stokes (RANS) models are tested in ANSYS Fluent. The realizable k - ∈ model as the RANS model in DDES is found to yield the best agreement of simulated pressure distributions with the experimental data both from NTNU and the Technical University of Denmark (DTU), the latter for a shorter spanwise domain. The present DDES results are in excellent agreement with LES results from DTU. Since DDES requires much fewer cells in the RANS region near the wing surface than LES, DDES is computationally much more efficient than LES. Whereas DDES is able to predict lift and drag in close agreement with experiment up to stall, pure 2D RANS simulations fail near stall. After testing different numerical settings, time step sizes and grids for DDES, a Reynolds number study is conducted. Near stall, separated flow structures, so-called stall cells, are observed in the DDES results.

  19. A unified gas-kinetic scheme for continuum and rarefied flows IV: Full Boltzmann and model equations

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Chang, E-mail: cliuaa@ust.hk [Department of Mathematics and Department of Mechanical and Aerospace Engineering, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); Xu, Kun, E-mail: makxu@ust.hk [Department of Mathematics and Department of Mechanical and Aerospace Engineering, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); Sun, Quanhua, E-mail: qsun@imech.ac.cn [State Key Laboratory of High-temperature Gas Dynamics, Institute of Mechanics, Chinese Academy of Sciences, No. 15 Beisihuan Xi Rd, Beijing 100190 (China); Cai, Qingdong, E-mail: caiqd@mech.pku.edu.cn [Department of Mechanics and Aerospace Engineering, College of Engineering, Peking University, Beijing 100871 (China)

    2016-06-01

    Fluid dynamic equations are valid in their respective modeling scales, such as the particle mean free path scale of the Boltzmann equation and the hydrodynamic scale of the Navier–Stokes (NS) equations. With a variation of the modeling scales, theoretically there should have a continuous spectrum of fluid dynamic equations. Even though the Boltzmann equation is claimed to be valid in all scales, many Boltzmann solvers, including direct simulation Monte Carlo method, require the cell resolution to the order of particle mean free path scale. Therefore, they are still single scale methods. In order to study multiscale flow evolution efficiently, the dynamics in the computational fluid has to be changed with the scales. A direct modeling of flow physics with a changeable scale may become an appropriate approach. The unified gas-kinetic scheme (UGKS) is a direct modeling method in the mesh size scale, and its underlying flow physics depends on the resolution of the cell size relative to the particle mean free path. The cell size of UGKS is not limited by the particle mean free path. With the variation of the ratio between the numerical cell size and local particle mean free path, the UGKS recovers the flow dynamics from the particle transport and collision in the kinetic scale to the wave propagation in the hydrodynamic scale. The previous UGKS is mostly constructed from the evolution solution of kinetic model equations. Even though the UGKS is very accurate and effective in the low transition and continuum flow regimes with the time step being much larger than the particle mean free time, it still has space to develop more accurate flow solver in the region, where the time step is comparable with the local particle mean free time. In such a scale, there is dynamic difference from the full Boltzmann collision term and the model equations. This work is about the further development of the UGKS with the implementation of the full Boltzmann collision term in the region

  20. The kinetics for ammonium and nitrite oxidation under the effect of hydroxylamine.

    Science.gov (United States)

    Wan, Xinyu; Xiao, Pengying; Zhang, Daijun; Lu, Peili; Yao, Zongbao; He, Qiang

    2016-01-01

    The kinetics for ammonium (NH4(+)) oxidation and nitrite (NO2(-)) oxidation under the effect of hydroxylamine (NH2OH) were studied by respirometry using the nitrifying sludge from a laboratory-scale sequencing batch reactor. Modified models were used to estimate kinetics parameters of ammonia and nitrite oxidation under the effect of hydroxylamine. An inhibition effect of hydroxylamine on the ammonia oxidation was observed under different hydroxylamine concentration levels. The self-inhibition coefficient of hydroxylamine oxidation and noncompetitive inhibition coefficient of hydroxylamine for nitrite oxidation was estimated by simulating exogenous oxygen-uptake rate profiles, respectively. The inhibitive effect of NH2OH on nitrite-oxidizing bacteria was stronger than on ammonia-oxidizing bacteria. This work could provide fundamental data for the kinetic investigation of the nitrification process.

  1. Large Eddy Simulation of a cooling impinging jet to a turbulent crossflow

    Science.gov (United States)

    Georgiou, Michail; Papalexandris, Miltiadis

    2015-11-01

    In this talk we report on Large Eddy Simulations of a cooling impinging jet to a turbulent channel flow. The impinging jet enters the turbulent stream in an oblique direction. This type of flow is relevant to the so-called ``Pressurized Thermal Shock'' phenomenon that can occur in pressurized water reactors. First we elaborate on issues related to the set-up of the simulations of the flow of interest such as, imposition of turbulent inflows, choice of subgrid-scale model and others. Also, the issue of the commutator error due to the anisotropy of the spatial cut-off filter induced by non-uniform grids is being discussed. In the second part of the talk we present results of our simulations. In particular, we focus on the high-shear and recirculation zones that are developed and on the characteristics of the temperature field. The budget for the mean kinetic energy of the resolved-scale turbulent velocity fluctuations is also discussed and analyzed. Financial support has been provided by Bel V, a subsidiary of the Federal Agency for Nuclear Control of Belgium.

  2. Kinetics and reversibility of radiocaesium solid/liquid partitioning in sediments

    International Nuclear Information System (INIS)

    Comans, R.N.J.

    1998-01-01

    The kinetics and reversibility of radiocaesium solid/liquid partitioning in sediments have been reviewed and interpreted in terms of a mechanistic framework. This framework is based on the premise that radiocaesium is almost exclusively and highly-selectively bound to the frayed particle edges of illitic clay minerals in the sediments. Several processes with distinctly different rates can be distinguished in radiocaesium sorption to sediments. 2- and 3-box kinetic models can describe both the overall solid/liquid partitioning in sediments and the reversible (exchangeable) and irreversible (nonexchangeable or 'fixed') fractions of radiocaesium in sediments over time scales relevant for natural aquatic systems. The obtained rate parameters indicate that reversible partitioning of radiocaesium dominates over the first few days following a contamination event, whereas irreversible kinetics becomes important over time scales of weeks to months. The slow process, which reduces the exchangeability of sediment-bound radiocaesium over time, is believed to result from a migration of radiocaesium from exchangeable sites on the frayed edges of illite towards less-exchangeable interlayer sites. Long-term extraction of radiocaesium from historically contaminated sediments has given evidence for a reverse (remobilization) process with a half-life of the order of tens of years. These findings suggest that the long-term exchangeability of radiocaesium in sediments may be higher than the few % which is generally assumed. (orig.)

  3. Integrated stoichiometric, thermodynamic and kinetic modelling of steady state metabolism.

    Science.gov (United States)

    Fleming, R M T; Thiele, I; Provan, G; Nasheuer, H P

    2010-06-07

    The quantitative analysis of biochemical reactions and metabolites is at frontier of biological sciences. The recent availability of high-throughput technology data sets in biology has paved the way for new modelling approaches at various levels of complexity including the metabolome of a cell or an organism. Understanding the metabolism of a single cell and multi-cell organism will provide the knowledge for the rational design of growth conditions to produce commercially valuable reagents in biotechnology. Here, we demonstrate how equations representing steady state mass conservation, energy conservation, the second law of thermodynamics, and reversible enzyme kinetics can be formulated as a single system of linear equalities and inequalities, in addition to linear equalities on exponential variables. Even though the feasible set is non-convex, the reformulation is exact and amenable to large-scale numerical analysis, a prerequisite for computationally feasible genome scale modelling. Integrating flux, concentration and kinetic variables in a unified constraint-based formulation is aimed at increasing the quantitative predictive capacity of flux balance analysis. Incorporation of experimental and theoretical bounds on thermodynamic and kinetic variables ensures that the predicted steady state fluxes are both thermodynamically and biochemically feasible. The resulting in silico predictions are tested against fluxomic data for central metabolism in Escherichia coli and compare favourably with in silico prediction by flux balance analysis. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

  4. Determination of kinetic coefficients for some selected wastes (research note)

    International Nuclear Information System (INIS)

    Qaisi, M. K.; Samaneh, T; Zoubi, O.

    1999-01-01

    This study was undertaken to estimate the kinetic constants of different wastes experimentally using laboratory scale reactors. three wastes were close n; domestic, brewery, and whey. The resulting data for the three wastes fit well both sludge growth and oxygen utilization kinetic models with high correlation coefficients, and were found to be within the reported values by others. The study shows that oxygen utilization rate was higher for domestic than those for the two other wastes. Also it shows that suspended growth treating brewery and whey wastes are more sensitive to any increase in BOD 5 than that treating domestic wastewater. (authors). 7 refs., 7 figs., 5 tabs

  5. Acid-catalyzed kinetics of indium tin oxide etching

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Jae-Hyeok; Kim, Seong-Oh; Hilton, Diana L. [School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, 639798 (Singapore); Centre for Biomimetic Sensor Science, Nanyang Technological University, 50 Nanyang Drive, 637553 (Singapore); Cho, Nam-Joon, E-mail: njcho@ntu.edu.sg [School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, 639798 (Singapore); Centre for Biomimetic Sensor Science, Nanyang Technological University, 50 Nanyang Drive, 637553 (Singapore); School of Chemical and Biomedical Engineering, Nanyang Technological University, 62 Nanyang Drive, 637459 (Singapore)

    2014-08-28

    We report the kinetic characterization of indium tin oxide (ITO) film etching by chemical treatment in acidic and basic electrolytes. It was observed that film etching increased under more acidic conditions, whereas basic conditions led to minimal etching on the time scale of the experiments. Quartz crystal microbalance was employed in order to track the reaction kinetics as a function of the concentration of hydrochloric acid and accordingly solution pH. Contact angle measurements and atomic force microscopy experiments determined that acid treatment increases surface hydrophilicity and porosity. X-ray photoelectron spectroscopy experiments identified that film etching is primarily caused by dissolution of indium species. A kinetic model was developed to explain the acid-catalyzed dissolution of ITO surfaces, and showed a logarithmic relationship between the rate of dissolution and the concentration of undisassociated hydrochloric acid molecules. Taken together, the findings presented in this work verify the acid-catalyzed kinetics of ITO film dissolution by chemical treatment, and support that the corresponding chemical reactions should be accounted for in ITO film processing applications. - Highlights: • Acidic conditions promoted indium tin oxide (ITO) film etching via dissolution. • Logarithm of the dissolution rate depended linearly on the solution pH. • Acid treatment increased ITO surface hydrophilicity and porosity. • ITO film etching led to preferential dissolution of indium species over tin species.

  6. Domain growth kinetics in stratifying foam films

    Science.gov (United States)

    Zhang, Yiran; Sharma, Vivek

    2015-11-01

    Baking bread, brewing cappuccino, pouring beer, washing dishes, shaving, shampooing, whipping eggs and blowing bubbles all involve creation of aqueous foam films. Typical foam films consist of two surfactant-laden surfaces that are ~ 5 nm - 10 micron apart. Sandwiched between these interfacial layers is a fluid that drains primarily under the influence of viscous and interfacial forces, including disjoining pressure. Interestingly, a layered ordering of micelles inside the foam films (thickness characteristic scaling laws. Though several studies have focused on the expansion dynamics of isolated domains that exhibit a diffusion-like scaling, the change in expansion kinetics observed after domains contact with the Plateau border has not been reported and analyzed before.

  7. Thermodynamics, maximum power, and the dynamics of preferential river flow structures at the continental scale

    Directory of Open Access Journals (Sweden)

    A. Kleidon

    2013-01-01

    Full Text Available The organization of drainage basins shows some reproducible phenomena, as exemplified by self-similar fractal river network structures and typical scaling laws, and these have been related to energetic optimization principles, such as minimization of stream power, minimum energy expenditure or maximum "access". Here we describe the organization and dynamics of drainage systems using thermodynamics, focusing on the generation, dissipation and transfer of free energy associated with river flow and sediment transport. We argue that the organization of drainage basins reflects the fundamental tendency of natural systems to deplete driving gradients as fast as possible through the maximization of free energy generation, thereby accelerating the dynamics of the system. This effectively results in the maximization of sediment export to deplete topographic gradients as fast as possible and potentially involves large-scale feedbacks to continental uplift. We illustrate this thermodynamic description with a set of three highly simplified models related to water and sediment flow and describe the mechanisms and feedbacks involved in the evolution and dynamics of the associated structures. We close by discussing how this thermodynamic perspective is consistent with previous approaches and the implications that such a thermodynamic description has for the understanding and prediction of sub-grid scale organization of drainage systems and preferential flow structures in general.

  8. Bidirectional Energy Cascades and the Origin of Kinetic Alfvenic and Whistler Turbulence in the Solar Wind

    Science.gov (United States)

    Che, H.; Goldstein, M. L.; Vinas, A. F.

    2014-01-01

    The observed steep kinetic scale turbulence spectrum in the solar wind raises the question of how that turbulence originates. Observations of keV energetic electrons during solar quiet time suggest them as a possible source of free energy to drive kinetic turbulence. Using particle-in-cell simulations, we explore how the free energy released by an electron two-stream instability drives Weibel-like electromagnetic waves that excite wave-wave interactions. Consequently, both kinetic Alfvénic and whistler turbulence are excited that evolve through inverse and forward magnetic energy cascades.

  9. Oxidation Kinetics of Chemically Vapor-Deposited Silicon Carbide in Wet Oxygen

    Science.gov (United States)

    Opila, Elizabeth J.

    1994-01-01

    The oxidation kinetics of chemically vapor-deposited SiC in dry oxygen and wet oxygen (P(sub H2O) = 0.1 atm) at temperatures between 1200 C and 1400 C were monitored using thermogravimetric analysis. It was found that in a clean environment, 10% water vapor enhanced the oxidation kinetics of SiC only very slightly compared to rates found in dry oxygen. Oxidation kinetics were examined in terms of the Deal and Grove model for oxidation of silicon. It was found that in an environment containing even small amounts of impurities, such as high-purity Al2O3 reaction tubes containing 200 ppm Na, water vapor enhanced the transport of these impurities to the oxidation sample. Oxidation rates increased under these conditions presumably because of the formation of less protective sodium alumino-silicate scales.

  10. Reaction kinetics of bond rotations in graphene

    KAUST Repository

    Skowron, Stephen T.; Koroteev, Victor O.; Baldoni, Matteo; Lopatin, Sergei; Zurutuza, Amaia; Chuvilin, Andrey; Besley, Elena

    2016-01-01

    The formation and healing processes of the fundamental topological defect in graphitic materials, the Stone-Wales (SW) defect, are brought into a chemical context by considering the rotation of a carbon-carbon bond as chemical reaction. We investigate the rates and mechanisms of these SW transformations in graphene at the atomic scale using transmission electron microscopy. We develop a statistical atomic kinetics formalism, using direct observations obtained under different conditions to determine key kinetic parameters of the reactions. Based on the obtained statistics we quantify thermally and irradiation induced routes, identifying a thermal process of healing with an activation energy consistent with predicted adatom catalysed mechanisms. We discover exceptionally high rates for irradiation induced SW healing, incompatible with the previously assumed mechanism of direct knock-on damage and indicating the presence of an efficient nonadiabatic coupling healing mechanism involving beam induced electronic excitations of the SW defect.

  11. Reaction kinetics of bond rotations in graphene

    KAUST Repository

    Skowron, Stephen T.

    2016-04-12

    The formation and healing processes of the fundamental topological defect in graphitic materials, the Stone-Wales (SW) defect, are brought into a chemical context by considering the rotation of a carbon-carbon bond as chemical reaction. We investigate the rates and mechanisms of these SW transformations in graphene at the atomic scale using transmission electron microscopy. We develop a statistical atomic kinetics formalism, using direct observations obtained under different conditions to determine key kinetic parameters of the reactions. Based on the obtained statistics we quantify thermally and irradiation induced routes, identifying a thermal process of healing with an activation energy consistent with predicted adatom catalysed mechanisms. We discover exceptionally high rates for irradiation induced SW healing, incompatible with the previously assumed mechanism of direct knock-on damage and indicating the presence of an efficient nonadiabatic coupling healing mechanism involving beam induced electronic excitations of the SW defect.

  12. ISS modeling strategy for the numerical simulation of turbulent sub-channel liquid-vapor flows

    International Nuclear Information System (INIS)

    Olivier Lebaigue; Benoit Mathieu; Didier Jamet

    2005-01-01

    Full text of publication follows: The general objective is to perform numerical simulation of the liquid-vapor turbulent two-phase flows that occur in sub-channels of a nuclear plant assembly under nominal or incidental situations. Additional features concern nucleate boiling at the surface of fuel rods and the sliding of vapor bubbles on this surface with possible dynamic contact lines. The Interfaces and Sub-grid Scales (ISS) modeling strategy for numerical simulations is one of the possible two-phase equivalents for the one-phase LES concept. It consists in solving the two-phase flows features at the scales that are resolved by the grid of the numerical method, and to take into account the unresolved scales with sub-grid models. Interfaces are tracked in a DNS-like approach while specific features of the behavior of interfaces such as contact line physics, coalescence and fragmentation, and the smallest scales of turbulence within each phase have an unresolved scale part that is modeled. The problem of the modeling of the smallest scales of turbulence is rather simple even if the classical situation is altered by the presence of the interfaces. In a typical sub-channel situation (e.g., 15 MPa and 3.5 m.s -1 water flow in a PWR sub-channel), the Kolmogorov scale is ca. 1 μm whereas typical bubble size are supposed to be close to 150 μm. Therefore, the use of a simple sub-grid model between, e.g., 1 and 20 μm allows a drastic reduction of the number of nodes in the space discretization while it remains possible to validate by comparison to true DNS results. Other sub-grid models have been considered to recover physical phenomena that cannot be captured with a realistic discretization: they rely on physical scales from molecular size to 1 μm. In these cases, the use of sub-grid model is no longer a matter of CPU-time and memory saving only, but also a corner stone to recover physical behavior. From this point of view at least we are no longer performing true

  13. Kinetics of aerobically activated sludge on terylene artificial silk printing and dyeing wastewater treatment.

    Science.gov (United States)

    Guan, Bao-hong; Wu, Zhong-biao; Xu, Gen-liang

    2004-04-01

    Aerobically activated sludge processing was carried out to treat terylene artificial silk printing and dyeing wastewater (TPD wastewater) in a lab-scale experiment, focusing on the kinetics of the COD removal. The kinetics parameters determined from experiment were applied to evaluate the biological treatability of wastewater. Experiments showed that COD removal could be divided into two stages, in which the ratio BOD/COD (B/C) was the key factor for stage division. At the rapid-removal stage with B/C>0.1, COD removal could be described by a zero order reaction. At the moderate-removal stage with B/Ckinetic parameters, the biological treatability of TPD wastewater was superior to that of traditional textile wastewater. But COD removal from TPD-wastewater was much more difficult than that from domestic and industrial wastewater, such as papermaking, beer, phenol wastewater, etc. The expected effluent quality strongly related to un-biodegradable COD and kinetics rather than total COD. The results provide useful basis for further scaling up and efficient operation of TPD wastewater treatment.

  14. Rethinking wave-kinetic theory applied to zonal flows

    Science.gov (United States)

    Parker, Jeffrey

    2017-10-01

    Over the past two decades, a number of studies have employed a wave-kinetic theory to describe fluctuations interacting with zonal flows. Recent work has uncovered a defect in this wave-kinetic formulation: the system is dominated by the growth of (arbitrarily) small-scale zonal structures. Theoretical calculations of linear growth rates suggest, and nonlinear simulations confirm, that this system leads to the concentration of zonal flow energy in the smallest resolved scales, irrespective of the numerical resolution. This behavior results from the assumption that zonal flows are extremely long wavelength, leading to the neglect of key terms responsible for conservation of enstrophy. A corrected theory, CE2-GO, is presented; it is free of these errors yet preserves the intuitive phase-space mathematical structure. CE2-GO properly conserves enstrophy as well as energy, and yields accurate growth rates of zonal flow. Numerical simulations are shown to be well-behaved and not dependent on box size. The steady-state limit simplifies into an exact wave-kinetic form which offers the promise of deeper insight into the behavior of wavepackets. The CE2-GO theory takes its place in a hierarchy of models as the geometrical-optics reduction of the more complete cumulant-expansion statistical theory CE2. The new theory represents the minimal statistical description, enabling an intuitive phase-space formulation and an accurate description of turbulence-zonal flow dynamics. This work was supported by an NSF Graduate Research Fellowship, a US DOE Fusion Energy Sciences Fellowship, and US DOE Contract Nos. DE-AC52-07NA27344 and DE-AC02-09CH11466.

  15. Kinetic modelling of anaerobic hydrolysis of solid wastes, including disintegration processes

    Energy Technology Data Exchange (ETDEWEB)

    García-Gen, Santiago [Department of Chemical Engineering, Institute of Technology, University of Santiago de Compostela, 15782 Santiago de Compostela (Spain); Sousbie, Philippe; Rangaraj, Ganesh [INRA, UR50, Laboratoire de Biotechnologie de l’Environnement, Avenue des Etangs, Narbonne F-11100 (France); Lema, Juan M. [Department of Chemical Engineering, Institute of Technology, University of Santiago de Compostela, 15782 Santiago de Compostela (Spain); Rodríguez, Jorge, E-mail: jrodriguez@masdar.ac.ae [Department of Chemical Engineering, Institute of Technology, University of Santiago de Compostela, 15782 Santiago de Compostela (Spain); Institute Centre for Water and Environment (iWater), Masdar Institute of Science and Technology, PO Box 54224 Abu Dhabi (United Arab Emirates); Steyer, Jean-Philippe; Torrijos, Michel [INRA, UR50, Laboratoire de Biotechnologie de l’Environnement, Avenue des Etangs, Narbonne F-11100 (France)

    2015-01-15

    Highlights: • Fractionation of solid wastes into readily and slowly biodegradable fractions. • Kinetic coefficients estimation from mono-digestion batch assays. • Validation of kinetic coefficients with a co-digestion continuous experiment. • Simulation of batch and continuous experiments with an ADM1-based model. - Abstract: A methodology to estimate disintegration and hydrolysis kinetic parameters of solid wastes and validate an ADM1-based anaerobic co-digestion model is presented. Kinetic parameters of the model were calibrated from batch reactor experiments treating individually fruit and vegetable wastes (among other residues) following a new protocol for batch tests. In addition, decoupled disintegration kinetics for readily and slowly biodegradable fractions of solid wastes was considered. Calibrated parameters from batch assays of individual substrates were used to validate the model for a semi-continuous co-digestion operation treating simultaneously 5 fruit and vegetable wastes. The semi-continuous experiment was carried out in a lab-scale CSTR reactor for 15 weeks at organic loading rate ranging between 2.0 and 4.7 g VS/L d. The model (built in Matlab/Simulink) fit to a large extent the experimental results in both batch and semi-continuous mode and served as a powerful tool to simulate the digestion or co-digestion of solid wastes.

  16. Kinetics of Single-Enzyme Reactions on Vesicles: Role of Substrate Aggregation

    Science.gov (United States)

    Zhdanov, Vladimir P.

    2015-03-01

    Enzymatic reactions occurring in vivo on lipid membranes can be influenced by various factors including macromolecular crowding in general and substrate aggregation in particular. In academic studies, the role of these factors can experimentally be clarified by tracking single-enzyme kinetics occurring on individual lipid vesicles. To extend the conceptual basis for such experiments, we analyze herein the corresponding kinetics mathematically with emphasis on the role of substrate aggregation. In general, the aggregation may occur on different length scales. Small aggregates may e.g. contain a few proteins or peptides while large aggregates may be mesoscopic as in the case of lipid domains which can be formed in the membranes composed of different lipids. We present a kinetic model describing comprehensively the effect of aggregation of the former type on the dependence of the reaction rate on substrate membrane concentration. The results obtained with physically reasonable parameters indicate that the aggregation-related deviations from the conventional Michaelis-Menten kinetics may be appreciable. Special Issue Comments: This theoretical article is focused on single-enzyme reactions occurring in parallel with substrate aggregation on individual vesicles. This subject is related to a few Special Issue articles concerning enzyme dynamics6,7 and function8 and mathematical aspects of stochastic kinetics.9

  17. Thermal contact through a two-temperature kinetic Ising chain

    Science.gov (United States)

    Bauer, M.; Cornu, F.

    2018-05-01

    We consider a model for thermal contact through a diathermal interface between two macroscopic bodies at different temperatures: an Ising spin chain with nearest neighbor interactions is endowed with a Glauber dynamics with different temperatures and kinetic parameters on alternating sites. The inhomogeneity of the kinetic parameter is a novelty with respect to the model of Racz and Zia (1994 Phys. Rev. E 49 139), and we exhibit its influence upon the stationary non equilibrium values of the two-spin correlations at any distance. By mapping to the dynamics of spin domain walls and using free fermion techniques, we determine the scaled generating function for the cumulants of the exchanged heat amounts per unit of time in the long time limit.

  18. Kinetic Study of Acetone-Butanol-Ethanol Fermentation in Continuous Culture

    Science.gov (United States)

    Buehler, Edward A.; Mesbah, Ali

    2016-01-01

    Acetone-butanol-ethanol (ABE) fermentation by clostridia has shown promise for industrial-scale production of biobutanol. However, the continuous ABE fermentation suffers from low product yield, titer, and productivity. Systems analysis of the continuous ABE fermentation will offer insights into its metabolic pathway as well as into optimal fermentation design and operation. For the ABE fermentation in continuous Clostridium acetobutylicum culture, this paper presents a kinetic model that includes the effects of key metabolic intermediates and enzymes as well as culture pH, product inhibition, and glucose inhibition. The kinetic model is used for elucidating the behavior of the ABE fermentation under the conditions that are most relevant to continuous cultures. To this end, dynamic sensitivity analysis is performed to systematically investigate the effects of culture conditions, reaction kinetics, and enzymes on the dynamics of the ABE production pathway. The analysis provides guidance for future metabolic engineering and fermentation optimization studies. PMID:27486663

  19. Oxidative kinetic resolution of racemic alcohols catalyzed by chiral ferrocenyloxazolinylphosphine-ruthenium complexes.

    Science.gov (United States)

    Nishibayashi, Yoshiaki; Yamauchi, Akiyoshi; Onodera, Gen; Uemura, Sakae

    2003-07-25

    Oxidative kinetic resolution of racemic secondary alcohols by using acetone as a hydrogen acceptor in the presence of a catalytic amount of [RuCl(2)(PPh(3))(ferrocenyloxazolinylphosphine)] (2) proceeds effectively to recover the corresponding alcohols in high yields with an excellent enantioselectivity. When 1-indanol is employed as a racemic alcohol, the oxidation proceeds quite smoothly even in the presence of 0.0025 mol % of the catalyst 2 to give an optically active 1-indanol in good yield with high enantioselectivity (up to 94% ee), where turnover frequency (TOF) exceeds 80,000 h(-1). From a practical viewpoint, the kinetic resolution is investigated in a large scale, optically pure (S)-1-indanol (75 g, 56% yield, >99% ee) being obtained from racemic 1-indanol (134 g) by employing this kinetic resolution method twice.

  20. Validation Results for Core-Scale Oil Shale Pyrolysis

    Energy Technology Data Exchange (ETDEWEB)

    Staten, Josh; Tiwari, Pankaj

    2015-03-01

    This report summarizes a study of oil shale pyrolysis at various scales and the subsequent development a model for in situ production of oil from oil shale. Oil shale from the Mahogany zone of the Green River formation was used in all experiments. Pyrolysis experiments were conducted at four scales, powdered samples (100 mesh) and core samples of 0.75”, 1” and 2.5” diameters. The batch, semibatch and continuous flow pyrolysis experiments were designed to study the effect of temperature (300°C to 500°C), heating rate (1°C/min to 10°C/min), pressure (ambient and 500 psig) and size of the sample on product formation. Comprehensive analyses were performed on reactants and products - liquid, gas and spent shale. These experimental studies were designed to understand the relevant coupled phenomena (reaction kinetics, heat transfer, mass transfer, thermodynamics) at multiple scales. A model for oil shale pyrolysis was developed in the COMSOL multiphysics platform. A general kinetic model was integrated with important physical and chemical phenomena that occur during pyrolysis. The secondary reactions of coking and cracking in the product phase were addressed. The multiscale experimental data generated and the models developed provide an understanding of the simultaneous effects of chemical kinetics, and heat and mass transfer on oil quality and yield. The comprehensive data collected in this study will help advance the move to large-scale in situ oil production from the pyrolysis of oil shale.

  1. Effects of heterogeneity on recrystallization kinetics of nanocrystalline copper prepared by dynamic plastic deformation

    DEFF Research Database (Denmark)

    Lin, Fengxiang; Zhang, Yubin; Tao, Nairong

    2014-01-01

    to develop a heterogeneous structure, consisting of regions with different textures and microstructures. This heterogeneity within the deformed structure leads to the formation of severely clustered grains in partially recrystallized samples. The recrystallization kinetic curve shows an Avrami exponent less...... recrystallization kinetics. The hardness of the two samples was measured, and the mechanical properties before and after partial recrystallization of both samples are discussed based on the presence of structural heterogeneities on the macroscopic and the microscopic scale....

  2. Toward multi-scale simulation of reconnection phenomena in space plasma

    Science.gov (United States)

    Den, M.; Horiuchi, R.; Usami, S.; Tanaka, T.; Ogawa, T.; Ohtani, H.

    2013-12-01

    Magnetic reconnection is considered to play an important role in space phenomena such as substorm in the Earth's magnetosphere. It is well known that magnetic reconnection is controlled by microscopic kinetic mechanism. Frozen-in condition is broken due to particle kinetic effects and collisionless reconnection is triggered when current sheet is compressed as thin as ion kinetic scales under the influence of external driving flow. On the other hand configuration of the magnetic field leading to formation of diffusion region is determined in macroscopic scale and topological change after reconnection is also expressed in macroscopic scale. Thus magnetic reconnection is typical multi-scale phenomenon and microscopic and macroscopic physics are strongly coupled. Recently Horiuchi et al. developed an effective resistivity model based on particle-in-cell (PIC) simulation results obtained in study of collisionless driven reconnection and applied to a global magnetohydrodynamics (MHD) simulation of substorm in the Earth's magnetosphere. They showed reproduction of global behavior in substrom such as dipolarization and flux rope formation by global three dimensional MHD simulation. Usami et al. developed multi-hierarchy simulation model, in which macroscopic and microscopic physics are solved self-consistently and simultaneously. Based on the domain decomposition method, this model consists of three parts: a MHD algorithm for macroscopic global dynamics, a PIC algorithm for microscopic kinetic physics, and an interface algorithm to interlock macro and micro hierarchies. They verified the interface algorithm by simulation of plasma injection flow. In their latest work, this model was applied to collisionless reconnection in an open system and magnetic reconnection was successfully found. In this paper, we describe our approach to clarify multi-scale phenomena and report the current status. Our recent study about extension of the MHD domain to global system is presented. We

  3. Physical kinetics

    International Nuclear Information System (INIS)

    Lifschitz, E.M.; Pitajewski, L.P.

    1983-01-01

    The textbook covers the subject under the following headings: kinetic gas theory, diffusion approximation, collisionless plasma, collisions within the plasma, plasma in the magnetic field, theory of instabilities, dielectrics, quantum fluids, metals, diagram technique for nonequilibrium systems, superconductors, and kinetics of phase transformations

  4. Kinetic equations and fluctuations in μspace of one-component dilute plasmas

    International Nuclear Information System (INIS)

    Tokuyama, Michio; Mori, Hazime

    1977-01-01

    Kinetic equations for a spatially coarse-grained electron density in μ phase space A(p, r; t) with a length cutoff b and for its fluctuations are studied by a scaling method and a time-convolutionless approach developed by the present authors. An electron gas with a small plasma parameter epsilon=1/c (lambda sub(D)) 3 has three characteristic lengths; the Landau cutoff r sub(L)=epsilon lambda sub(D), the Debye length lambda sub(D)=√k sub(B)T/4πe 2 c and the mean free path l sub(f)=lambda sub(D)/epsilon, e and c being electronic charge and mean electron density, respectively. It is shown that there are two characteristic regions of the length cutoff b. One is a coherent region where r sub(L)<< b<< lambda sub(D). Its characteristic scaling is c→0, b→infinity, t→infinity with b√c and t√c being kept constant. The Vlasov equation is derived in this limit. The other is a kinetic region where lambda sub(D)<< b<< l sub(f). Its characteristic scaling is c→0, b→infinity, t→infinity with bc and tc being kept constant. The Vlasov term disappears and the Balescu-Lenard-Boltzmann-Landau equation, which is free of divergence for both close and distant collisions, is derived in this limit. It is shown that the fluctuations of A(p, r; t) obey a Markov process with scaling exponents α=0, β=1/2 in the coherent region near thermal equilibrium, while they obey a Gaussian Markov process with α=0, β=1 in the kinetic region. The present theory does not need the factorization ansatz and Bogoliubov's functional ansatz. (auth.)

  5. Watching Nanoscale Self-Assembly Kinetics of Gold Prisms in Liquids

    Science.gov (United States)

    Kim, Juyeong; Ou, Zihao; Jones, Matthew R.; Chen, Qian

    We use liquid-phase transmission electron microscopy to watch self-assembly of gold triangular prisms into polymer-like structures. The in situ dynamics monitoring enabled by liquid-phase transmission electron microscopy, single nanoparticle tracking, and the marked conceptual similarity between molecular reactions and nanoparticle self-assembly combined elucidate the following mechanistic understanding: a step-growth polymerization based assembly statistics, kinetic pathways sampling particle curvature dependent energy minima and their interconversions, and directed assembly into polymorphs (linear or cyclic chains) through in situ modulation of the prism bonding geometry. Our study bridges the constituent kinetics on the molecular and nanoparticle length scales, which enriches the design rules in directed self-assembly of anisotropic nanoparticles.

  6. Modelling the atmospheric dispersion of foot-and-mouth disease virus for emergency preparedness

    DEFF Research Database (Denmark)

    Sørensen, J.H.; Jensen, C.O.; Mikkelsen, T.

    2001-01-01

    A model system for simulating airborne spread of foot-and-mouth disease (FMD) is described. The system includes a virus production model and the local- and mesoscale atmospheric dispersion model RIMPUFF linked to the LINCOM local-scale Row model. LINCOM is used to calculate the sub-grid scale Row...

  7. Variability of OH rotational temperatures on time scales from hours to 15 years by kinetic temperature variations, emission layer changes, and non-LTE effects

    Science.gov (United States)

    Noll, Stefan

    2016-07-01

    Rotational temperatures derived from hydroxyl (OH) line emission are frequently used to study atmospheric temperatures at altitudes of about 87 km. While the measurement only requires intensities of a few bright lines of an OH band, the interpretation can be complicated. Ground-based temperatures are averages for the entire, typically 8 km wide emission layer. Variations in the rotational temperature are then caused by changes of the kinetic temperature and the OH emission profile. The latter can also be accompanied by differences in the layer-averaged efficiency of the thermalisation of the OH rotational level populations. Since this especially depends on the frequency of collisions with O_2, which is low at high altitudes, the non-local thermodynamic equilibrium (non-LTE) contribution to the measured temperatures can be significant and variable. In order to understand the impact of the different sources of OH rotational temperature variations from time scales of hours to a solar cycle, we have studied spectra from the astronomical echelle spectrographs X-shooter and UVES located at Cerro Paranal in Chile. While the X-shooter data spanning 3.5 years allowed us to measure temperatures for 25 OH and two O_2 bands, the UVES spectra cover no more than 10 OH bands simultaneously but a period of about 15 years. These data have been complemented by kinetic temperature and OH and O_2 emission profiles from the multi-channel radiometer SABER on the TIMED satellite. Taking the O_2 and SABER kinetic temperatures as reference and considering the different band-dependent emission profiles, we could evaluate the contribution of non-LTE effects to the measured OH rotational temperatures depending on line set, band, and time. Non-LTE contributions are significant for most bands and can exceed 10 K. The amplitudes of their average nocturnal and seasonal variation are of the order of 1 to 2 K.

  8. Application of a new concept for multi-scale interfacial structures to the dam-break case with an obstacle

    Energy Technology Data Exchange (ETDEWEB)

    Hänsch, Susann, E-mail: s.haensch@hzdr.de; Lucas, Dirk; Höhne, Thomas; Krepper, Eckhard

    2014-11-15

    Highlights: • A concept for modeling transitions between different gaseous morphologies is presented. • The Eulerian multi-field model includes dispersed and continuous gas phases. • Interfacial transfer models are found considering free surfaces within MUSIG framework. • A new source term for sub-grid waves and instabilities is introduced. - Abstract: New results of a generalized concept developed for the simulation of two-phase flows with multi-scale interfacial structures are presented in this paper. By extending the inhomogeneus Multiple Size Group-model, the concept enables transitions between dispersed and continuous gas morphologies, including the appearance and evanescence of one of these particular gas phases. Adequate interfacial transfer formulations, which are consistent with such an approach, are introduced for interfacial area density and drag. A new drag-formulation considers shear stresses occurring within the free surface area. The application of the concept to a collapsing water column demonstrates the breakup of continuous gas into a polydispersed phase forming different bubble sizes underneath the free surface. Thus, both resolved free surface structures as well as the entrainment of bubbles and their coalescence and breakup underneath the surface can be described in the same time. The simulations have been performed with the CFD-code CFX 14.0 and will be compared with experimental images. The paper will further investigate the possible improvement of such free surface simulations by including sub-grid information about small waves and instabilities at the free surface. A comparison of the results will be used for a discussion of possible new mass transfer models between filtered free surface areas and dispersed bubble size groups as part of the future work.

  9. CRYSTALLIZATION KINETICS OF AMMONIUM PERCHLORATE IN AN AGITATED VESSEL

    Directory of Open Access Journals (Sweden)

    Nahidh Kaseer

    2013-05-01

    Full Text Available 31Overall crystal growth kinetics for ammonium perchlorate in laboratory scale batch  agitated vessel crystallizer have been determined from batch experiments performed in an integral mode. The effects of temperature between 30-60ºC, seed size 0.07, 0.120 and 0.275 mm and stirrer speed 160, 340, and 480 rpm, on the kinetics of crystal growth were investigated. Two different methods, viz. polynomial fitting and initial derivative were used to predict the kinetics expression. In general both methods gave comparable results for growth kinetics estimation. The order of growth process is not more than two. The activation energy for crystal growth of ammonium perchlorate was determined and found  to be equal to 5.8 kJ/ mole.            Finally, the influence of the affecting parameters on the crystal growth rate gives general expression that had an obvious dependence of the growth rate on each variables of concern (temperature, seed size, and stirrer speed .The general overall growth rate expression had shown that super saturation is the most significant variable. While the positive dependence of the stirrer speed demonstrates the importance of the diffusional step in the growth rate model. Moreover, the positive dependence of the seed size demonstrate the importance of the surface integration  step in the growth rate model. All the studied variables tend to suggest that the growth rate characteristics  of ammonium perchlorate from aqueous solution commenced in a batch crystallizer are diffusion kinetic controlled process.

  10. Enthalpy and high temperature relaxation kinetics of stable vapor-deposited glasses of toluene

    International Nuclear Information System (INIS)

    Bhattacharya, Deepanjan; Sadtchenko, Vlad

    2014-01-01

    Stable non-crystalline toluene films of micrometer and nanometer thicknesses were grown by vapor deposition at distinct rates and probed by fast scanning calorimetry. Fast scanning calorimetry is shown to be extremely sensitive to the structure of the vapor-deposited phase and was used to characterize simultaneously its kinetic stability and its thermodynamic properties. According to our analysis, transformation of vapor-deposited samples of toluene during heating with rates in excess 10 5 K s −1 follows the zero-order kinetics. The transformation rate correlates strongly with the initial enthalpy of the sample, which increases with the deposition rate according to sub-linear law. Analysis of the transformation kinetics of vapor-deposited toluene films of various thicknesses reveal a sudden increase in the transformation rate for films thinner than 250 nm. The change in kinetics seems to correlate with the surface roughness scale of the substrate. The implications of these findings for the formation mechanism and structure of vapor-deposited stable glasses are discussed

  11. Wake effects of large offshore wind farms on the mesoscale atmosphere

    DEFF Research Database (Denmark)

    Volker, Patrick; Badger, Jake; Hahmann, Andrea N.

    to the fact that its typical horizontal grid spacing is on the order of 2km, the energy extracted by the turbine, as well as the wake development inside the turbine-containing grid-cells, are not described explicitly, but are parametrized as another sub-grid scale process. In order to appropriately capture...... the wind farm wake recovery and its direction, two properties are important, the total energy extracted by the wind farm and its velocity deficit distribution. In the considered parametrization the individual turbines apply a thrust dependent on a local sub grid scale velocity, which is influenced...... by the up-stream turbines. For the sub-grid scale velocity deficit, the entrainment from the free atmospheric flow into the wake region, is taken into account. Furthermore, since the model horizontal distance is several times larger then the turbine diameter, it has been assumed that the generated...

  12. Development of countermeasure against scale deposition at steam generators of PWRs

    International Nuclear Information System (INIS)

    Domae, M.; Miyajima, K.; Hirano, H.; Kushida, H.

    2002-01-01

    Scale deposition has occurred at steam generators of several PWRs. The scale deposition may lead to reduction of flow rate of coolant, deterioration of heat exchanging efficiency and so on. These phenomena affect plant operation performance. Thus, elucidation of the mechanism of the scale deposition and some effective countermeasure are required. In CRIEPI (Central Research Institute of Electric Power Industry), the scale deposition is studied from two aspects: fluid dynamics and water chemistry. Concerning the water chemistry, we think that electro-kinetic behavior of scale, that is, metal oxides is of great importance. The final goal of the water chemical approach is to evaluate electro-kinetic potential (zeta potential) of metal oxides such as magnetite (Fe 3 O 4 ) and hematite (Fe 2 O 3 ), and to develop some countermeasure of the scale deposition based on the electro-kinetic data. As a first step, the zeta potential of 25 μm Fe 3 O 4 particles was measured by the streaming potential method at room temperature, and effect of dispersant addition was studied. The dispersants examined were poly-acrylic acid (PAA, M w ∝ 25,000) and polyvinylpyrrolidone (PVP, M w ∝ 40,000). It has been found that the addition of PAA of more than 10 ppm lowers the zeta potentials by 5 - 15 mV in whole pH range, and that the addition of PVP of more than 10 ppm reduces absolute value of the zeta potentials. (authors)

  13. Kinetic modeling of Nernst effect in magnetized hohlraums

    OpenAIRE

    Joglekar, A. S.; Ridgers, Christopher Paul; Kingham, R J; Thomas, A. G. R.

    2016-01-01

    We present nanosecond time-scale Vlasov-Fokker-Planck-Maxwell modeling of magnetized plasma transport and dynamics in a hohlraum with an applied external magnetic field, under conditions similar to recent experiments. Self-consistent modeling of the kinetic electron momentum equation allows for a complete treatment of the heat flow equation and Ohm's law, including Nernst advection of magnetic fields. In addition to showing the prevalence of nonlocal behavior, we demonstrate that effects such...

  14. On micro-scale self-organization in a plasma

    International Nuclear Information System (INIS)

    Maluckov, A.; Jovanovic, M.S.; Skoric, M.M.; Sato, T.

    1998-01-01

    We concentrate on a nonlinear saturation of a stimulated Raman backscattering in an open convective weakly confined model in the context of micro-kinetic scale self-organization in plasmas. The results have led to an assertion that a long-time nonlinear saturation in an open SRBS model with phenomenological effects of anomalous dissipation, plasma heating and subsequent entropy expulsion, reveals a generic interrelation of self-organization at wave-fluid (macro) and particle-kinetic (micro) levels. (author)

  15. Kinetics of a Migration-Driven Aggregation-Fragmentation Process

    Institute of Scientific and Technical Information of China (English)

    ZHUANGYou-Yi; LINZhen-Quan; KEJian-Hon~

    2003-01-01

    We propose a reversible model of the migration-driven aggregation-fragmentation process with the symmetric migration rate kernels K (k; j) = K′(k; j) =λkjv and the constant aggregation rates I1, I2 and fragmentation rates Jl, J2. Based on the mean-field theory, we investigate the evolution behavior of the aggregate size distributions in several cases with different values of index v. We find that the fragmentation reaction plays a more important role in the kinetic behaviors of the system than the aggregation and migration. When Jl = 0 and J2 = O, the aggregate size distributions αk(t) and bk(t) obey the conventional scaling law, while when Jl > 0 and J2 > O, they obey the modified scaling law with an exponential scaling function. The total mass of either species remains conserved.

  16. Collaborative Research: Lagrangian Modeling of Dispersion in the Planetary Boundary Layer

    National Research Council Canada - National Science Library

    Weil, Jeffrey

    2003-01-01

    ...), using Lagrangian "particle" models coupled with large-eddy simulation (LES) fields. A one-particle model for the mean concentration field was enhanced by a theoretically improved treatment of the LES subgrid-scale (SGS) velocities...

  17. Exact classical scaling formalism for nonreactive processes

    International Nuclear Information System (INIS)

    DePristo, A.E.

    1981-01-01

    A general nonreactive collision system is considered with internal molecular variables (p, r) and/or (I, theta) of arbitrary dimensions and relative translational variables (P, R) of three or less dimensions. We derive an exact classical scaling formalism which relates the collisional change in any function of molecular variables directly to the initial values of these variables. The collision dynamics is then described by an explicit function of the initial point in the internal molecular phase space, for a fixed point in the relative translational phase space. In other words, the systematic variation of the internal molecular properties (e.g., actions and average internal kinetic energies) is given as a function of the initial internal action-angle variables. A simple three term approximation to the exact formalism is derived, the natural variables of which are the internal action I and internal linear momenta p. For the final average internal kinetic energies T, the result is T-T/sup( 0 ) = α+βp/sup( 0 )+γI/sup( 0 ), where the superscripted ''0'' indicates the initial value. The parameters α, β, and γ in this scaling theory are directly related to the moments of the change in average internal kinetic energy. Utilizing a very limited number of input moments generated from classical trajectory calculations, the scaling can be used to predict the entire distribution of final internal variables as a function of initial internal actions and linear momenta. Initial examples for atom--collinear harmonic oscillator collision systems are presented in detail, with the scaling predictions (e.g., moments and quasiclassical histogram transition probabilities) being generally very good to excellent quantitatively

  18. Probing static disorder in Arrhenius kinetics by single-molecule force spectroscopy.

    Science.gov (United States)

    Kuo, Tzu-Ling; Garcia-Manyes, Sergi; Li, Jingyuan; Barel, Itay; Lu, Hui; Berne, Bruce J; Urbakh, Michael; Klafter, Joseph; Fernández, Julio M

    2010-06-22

    The widely used Arrhenius equation describes the kinetics of simple two-state reactions, with the implicit assumption of a single transition state with a well-defined activation energy barrier DeltaE, as the rate-limiting step. However, it has become increasingly clear that the saddle point of the free-energy surface in most reactions is populated by ensembles of conformations, leading to nonexponential kinetics. Here we present a theory that generalizes the Arrhenius equation to include static disorder of conformational degrees of freedom as a function of an external perturbation to fully account for a diverse set of transition states. The effect of a perturbation on static disorder is best examined at the single-molecule level. Here we use force-clamp spectroscopy to study the nonexponential kinetics of single ubiquitin proteins unfolding under force. We find that the measured variance in DeltaE shows both force-dependent and independent components, where the force-dependent component scales with F(2), in excellent agreement with our theory. Our study illustrates a novel adaptation of the classical Arrhenius equation that accounts for the microscopic origins of nonexponential kinetics, which are essential in understanding the rapidly growing body of single-molecule data.

  19. Kinetics of phase transformations

    International Nuclear Information System (INIS)

    Thompson, M.O.; Aziz, M.J.; Stephenson, G.B.

    1992-01-01

    This volume contains papers presented at the Materials Research Society symposium on Kinetics of Phase Transformations held in Boston, Massachusetts from November 26-29, 1990. The symposium provided a forum for research results in an exceptionally broad and interdisciplinary field. Presentations covered nearly every major class of transformations including solid-solid, liquid-solid, transport phenomena and kinetics modeling. Papers involving amorphous Si, a dominant topic at the symposium, are collected in the first section followed by sections on four major areas of transformation kinetics. The symposium opened with joint sessions on ion and electron beam induced transformations in conjunction with the Surface Chemistry and Beam-Solid Interactions: symposium. Subsequent sessions focused on the areas of ordering and nonlinear diffusion kinetics, solid state reactions and amorphization, kinetics and defects of amorphous silicon, and kinetics of melting and solidification. Seven internationally recognized invited speakers reviewed many of the important problems and recent results in these areas, including defects in amorphous Si, crystal to glass transformations, ordering kinetics, solid-state amorphization, computer modeling, and liquid/solid transformations

  20. Burrowing with a kinetic snout in a snake (Elapidae: Aspidelaps scutatus).

    Science.gov (United States)

    Deufel, Alexandra

    2017-12-01

    Of the few elongate, fossorial vertebrates that have been examined for their burrowing mechanics, all were found to use an akinetic, reinforced skull to push into the soil, powered mostly by trunk muscles. Reinforced skulls were considered essential for head-first burrowing. In contrast, I found that the skull of the fossorial shield-nosed cobra (Aspidelaps scutatus) is not reinforced and retains the kinetic potential typical of many non-fossorial snakes. Aspidelaps scutatus burrows using a greatly enlarged rostral scale that is attached to a kinetic snout that is independently mobile with respect to the rest of the skull. Two mechanisms of burrowing are used: (1) anteriorly directed head thrusts from a loosely bent body that is anchored against the walls of the tunnel by friction, and (2) side-to-side shovelling using the head and rostral scale. The premaxilla, to which the rostral scale is attached, lacks any direct muscle attachments. Rostral scale movements are powered by, first, retractions of the palato-pterygoid bar, mediated by a ligament that connects the anterior end of the palatine to the transverse process of the premaxilla and, second, by contraction of a previously undescribed muscle slip of the m. retractor pterygoidei that inserts on the skin at the edge of the rostral scale. In derived snakes, palatomaxillary movements are highly conserved and power prey capture and transport behaviors. Aspidelaps scutatus has co-opted those mechanisms for the unrelated function of burrowing without compromising the original feeding functions, showing the potential for evolution of functional innovations in highly conserved systems. © 2017 Wiley Periodicals, Inc.

  1. Large Eddy Simulation of the ventilated wave boundary layer

    DEFF Research Database (Denmark)

    Lohmann, Iris P.; Fredsøe, Jørgen; Sumer, B. Mutlu

    2006-01-01

    A Large Eddy Simulation (LES) of (1) a fully developed turbulent wave boundary layer and (2) case 1 subject to ventilation (i.e., suction and injection varying alternately in phase) has been performed, using the Smagorinsky subgrid-scale model to express the subgrid viscosity. The model was found...... slows down the flow in the full vertical extent of the boundary layer, destabilizes the flow and decreases the mean bed shear stress significantly; whereas suction generally speeds up the flow in the full vertical extent of the boundary layer, stabilizes the flow and increases the mean bed shear stress...

  2. Evaluation of the scale dependent dynamic SGS model in the open source code caffa3d.MBRi in wall-bounded flows

    Science.gov (United States)

    Draper, Martin; Usera, Gabriel

    2015-04-01

    The Scale Dependent Dynamic Model (SDDM) has been widely validated in large-eddy simulations using pseudo-spectral codes [1][2][3]. The scale dependency, particularly the potential law, has been proved also in a priori studies [4][5]. To the authors' knowledge there have been only few attempts to use the SDDM in finite difference (FD) and finite volume (FV) codes [6][7], finding some improvements with the dynamic procedures (scale independent or scale dependent approach), but not showing the behavior of the scale-dependence parameter when using the SDDM. The aim of the present paper is to evaluate the SDDM in the open source code caffa3d.MBRi, an updated version of the code presented in [8]. caffa3d.MBRi is a FV code, second-order accurate, parallelized with MPI, in which the domain is divided in unstructured blocks of structured grids. To accomplish this, 2 cases are considered: flow between flat plates and flow over a rough surface with the presence of a model wind turbine, taking for this case the experimental data presented in [9]. In both cases the standard Smagorinsky Model (SM), the Scale Independent Dynamic Model (SIDM) and the SDDM are tested. As presented in [6][7] slight improvements are obtained with the SDDM. Nevertheless, the behavior of the scale-dependence parameter supports the generalization of the dynamic procedure proposed in the SDDM, particularly taking into account that no explicit filter is used (the implicit filter is unknown). [1] F. Porté-Agel, C. Meneveau, M.B. Parlange. "A scale-dependent dynamic model for large-eddy simulation: application to a neutral atmospheric boundary layer". Journal of Fluid Mechanics, 2000, 415, 261-284. [2] E. Bou-Zeid, C. Meneveau, M. Parlante. "A scale-dependent Lagrangian dynamic model for large eddy simulation of complex turbulent flows". Physics of Fluids, 2005, 17, 025105 (18p). [3] R. Stoll, F. Porté-Agel. "Dynamic subgrid-scale models for momentum and scalar fluxes in large-eddy simulations of

  3. Kinetic and allometric models for dosimetry using radiopharmaceuticals labeled with lanthanides; Proposicao de modelos cineticos e alometricos para a dosimetria de radiofarmacos marcados com lantanideos

    Energy Technology Data Exchange (ETDEWEB)

    Lima, Marina Ferreira

    2012-07-01

    This work proposes two models based in compartmental analyses: Animal model and Human model, using images from gamma camera measurements to determinate the kinetic constants of the {sup 177}Lu-DOTATATE to three animal species (rat Wistar, Armenian hamster and Syrian hamster) and to the human in biodistribution studies split in two phases: Phase 1 governed by uptake from the blood and Phase 2 governed by the real excretion. The kinetic constants obtained from the animals' data ere used to build allometric scaling to predict radiopharmaceutical biodistribution in the human employing relations by mass, metabolism, by life span and by physiological parameters. These extrapolation results were compared with the PRRT (Peptide receptor radiotherapy) patients kinetic data calculated using the Human model. The kinetic constants obtained from humans were used in dose assessment to PRRT patients considering MIRD 26 organs and tissues. Dosimetry results were in agreement with available results from literature. For the Phase 1 allometric scaling from kinetic data from the blood to the organs straight responsible for the {sup 177}Lu-DOTATATE metabolism and excretion - liver, kidneys and urinary bladder -show good correlation in the scaling by mass, metabolism and physiological and parameters. For the Phase 2, only the kinetic data from blood to the liver and to the kidneys show good correlation. Based in the anaesthetics inhibitory action over the renal excretion, there is not empirical basis to allow measurement times over 40 minutes in in vivo studies with small animals. Consequently, the Phase 1 results seem enough to make allometric scaling to assessment dose in PRRT. (author)

  4. Kinetic studies on purification capability of channel flow type wastewater treatment plant

    Energy Technology Data Exchange (ETDEWEB)

    Hashimoto, S [Fukui Institute of Technology, Fukui (Japan); Furukawa, K; Kim, J [Osaka Univ., Osaka (Japan). Faculty of Engineering

    1990-10-01

    In order to develop a wastewater treatment process of secondary effluent and a wastewater treatment process of a farm village, some experiments have been carried out using bench scale and full scale hydroponic type wastewater treatment plant. This wastewater treatment system mainly consists of water channels and hydroponic water tanks. The authors carried out of a kinetic study for purification capability of the water channels while assuring the growth of microorganism in the treatment scheme. It was shown experimentally that the channel flow type wastewater treatment plant had a high TOC removal capability regardless of the kind of contact material and treatment time. Activated sludge microorganism concentration in water channels was obtained by kinetic estimation from the measured effluent suspended solid concentration. Estimated amount of activated sludge in water channels comprised only 11.5-37.4 percent of the measured amounts of withdrawn sludge, indicating high photosynthesis production of algae in water channels. 8 refs., 4 figs., 5 tabs.

  5. Structure of Kinetic Alfvén Waves of Small Transverse Scale

    Science.gov (United States)

    Morales, G. J.; Maggs, J. E.

    1996-11-01

    This analytical study illustrates the spatial pattern of kinetic Alfvén waves excited by a current-modulating disk whose dimension R transverse to the confining magnetic field is comparable to cs / Ω_i. The radial structure of the wave azimuthal magnetic field consists of 3 regions: a Bessel function behavior for r > R. The pattern spreads at an angle given by tan θ = (ω/Ω_i)(c_s/V_A)/(2 \\cdot 6), where ω is the modulation frequency and VA the Alfvén speed. This arises because there is a maximum value at finite k_⊥ for the ratio of the perpendicular to parallel group velocity, which differs from the cone spreading(G.J. Morales, R.S. Loritsch, and J.E. Maggs, Phys. Plasmas) 1, 3765 (1994) associated with inertial Alfvén waves. Sponsored by ONR

  6. A methodology for modeling photocatalytic reactors for indoor pollution control using previously estimated kinetic parameters

    Energy Technology Data Exchange (ETDEWEB)

    Passalia, Claudio; Alfano, Orlando M. [INTEC - Instituto de Desarrollo Tecnologico para la Industria Quimica, CONICET - UNL, Gueemes 3450, 3000 Santa Fe (Argentina); FICH - Departamento de Medio Ambiente, Facultad de Ingenieria y Ciencias Hidricas, Universidad Nacional del Litoral, Ciudad Universitaria, 3000 Santa Fe (Argentina); Brandi, Rodolfo J., E-mail: rbrandi@santafe-conicet.gov.ar [INTEC - Instituto de Desarrollo Tecnologico para la Industria Quimica, CONICET - UNL, Gueemes 3450, 3000 Santa Fe (Argentina); FICH - Departamento de Medio Ambiente, Facultad de Ingenieria y Ciencias Hidricas, Universidad Nacional del Litoral, Ciudad Universitaria, 3000 Santa Fe (Argentina)

    2012-04-15

    Highlights: Black-Right-Pointing-Pointer Indoor pollution control via photocatalytic reactors. Black-Right-Pointing-Pointer Scaling-up methodology based on previously determined mechanistic kinetics. Black-Right-Pointing-Pointer Radiation interchange model between catalytic walls using configuration factors. Black-Right-Pointing-Pointer Modeling and experimental validation of a complex geometry photocatalytic reactor. - Abstract: A methodology for modeling photocatalytic reactors for their application in indoor air pollution control is carried out. The methodology implies, firstly, the determination of intrinsic reaction kinetics for the removal of formaldehyde. This is achieved by means of a simple geometry, continuous reactor operating under kinetic control regime and steady state. The kinetic parameters were estimated from experimental data by means of a nonlinear optimization algorithm. The second step was the application of the obtained kinetic parameters to a very different photoreactor configuration. In this case, the reactor is a corrugated wall type using nanosize TiO{sub 2} as catalyst irradiated by UV lamps that provided a spatially uniform radiation field. The radiative transfer within the reactor was modeled through a superficial emission model for the lamps, the ray tracing method and the computation of view factors. The velocity and concentration fields were evaluated by means of a commercial CFD tool (Fluent 12) where the radiation model was introduced externally. The results of the model were compared experimentally in a corrugated wall, bench scale reactor constructed in the laboratory. The overall pollutant conversion showed good agreement between model predictions and experiments, with a root mean square error less than 4%.

  7. Application of simplified models to CO2 migration and immobilization in large-scale geological systems

    KAUST Repository

    Gasda, Sarah E.

    2012-07-01

    Long-term stabilization of injected carbon dioxide (CO 2) is an essential component of risk management for geological carbon sequestration operations. However, migration and trapping phenomena are inherently complex, involving processes that act over multiple spatial and temporal scales. One example involves centimeter-scale density instabilities in the dissolved CO 2 region leading to large-scale convective mixing that can be a significant driver for CO 2 dissolution. Another example is the potentially important effect of capillary forces, in addition to buoyancy and viscous forces, on the evolution of mobile CO 2. Local capillary effects lead to a capillary transition zone, or capillary fringe, where both fluids are present in the mobile state. This small-scale effect may have a significant impact on large-scale plume migration as well as long-term residual and dissolution trapping. Computational models that can capture both large and small-scale effects are essential to predict the role of these processes on the long-term storage security of CO 2 sequestration operations. Conventional modeling tools are unable to resolve sufficiently all of these relevant processes when modeling CO 2 migration in large-scale geological systems. Herein, we present a vertically-integrated approach to CO 2 modeling that employs upscaled representations of these subgrid processes. We apply the model to the Johansen formation, a prospective site for sequestration of Norwegian CO 2 emissions, and explore the sensitivity of CO 2 migration and trapping to subscale physics. Model results show the relative importance of different physical processes in large-scale simulations. The ability of models such as this to capture the relevant physical processes at large spatial and temporal scales is important for prediction and analysis of CO 2 storage sites. © 2012 Elsevier Ltd.

  8. Sample Handling and Chemical Kinetics in an Acoustically Levitated Drop Microreactor

    Science.gov (United States)

    2009-01-01

    Accurate measurement of enzyme kinetics is an essential part of understanding the mechanisms of biochemical reactions. The typical means of studying such systems use stirred cuvettes, stopped-flow apparatus, microfluidic systems, or other small sample containers. These methods may prove to be problematic if reactants or products adsorb to or react with the container’s surface. As an alternative approach, we have developed an acoustically-levitated drop reactor eventually intended to study enzyme-catalyzed reaction kinetics related to free radical and oxidative stress chemistry. Microliter-scale droplet generation, reactant introduction, maintenance, and fluid removal are all important aspects in conducting reactions in a levitated drop. A three capillary bundle system has been developed to address these needs. We report kinetic measurements for both luminol chemiluminescence and the reaction of pyruvate with nicotinamide adenine dinucleotide, catalyzed by lactate dehydrogenase, to demonstrate the feasibility of using a levitated drop in conjunction with the developed capillary sample handling system as a microreactor. PMID:19769373

  9. Kinetic modeling of Nernst effect in magnetized hohlraums.

    Science.gov (United States)

    Joglekar, A S; Ridgers, C P; Kingham, R J; Thomas, A G R

    2016-04-01

    We present nanosecond time-scale Vlasov-Fokker-Planck-Maxwell modeling of magnetized plasma transport and dynamics in a hohlraum with an applied external magnetic field, under conditions similar to recent experiments. Self-consistent modeling of the kinetic electron momentum equation allows for a complete treatment of the heat flow equation and Ohm's law, including Nernst advection of magnetic fields. In addition to showing the prevalence of nonlocal behavior, we demonstrate that effects such as anomalous heat flow are induced by inverse bremsstrahlung heating. We show magnetic field amplification up to a factor of 3 from Nernst compression into the hohlraum wall. The magnetic field is also expelled towards the hohlraum axis due to Nernst advection faster than frozen-in flux would suggest. Nonlocality contributes to the heat flow towards the hohlraum axis and results in an augmented Nernst advection mechanism that is included self-consistently through kinetic modeling.

  10. Vaccinium meridionale Swartz Supercritical CO2 Extraction: Effect of Process Conditions and Scaling Up

    Directory of Open Access Journals (Sweden)

    Alexis López-Padilla

    2016-06-01

    Full Text Available Vaccinium meridionale Swartz (Mortiño or Colombian blueberry is one of the Vaccinium species abundantly found across the Colombian mountains, which are characterized by high contents of polyphenolic compounds (anthocyanins and flavonoids. The supercritical fluid extraction (SFE of Vaccinium species has mainly focused on the study of V. myrtillus L. (blueberry. In this work, the SFE of Mortiño fruit from Colombia was studied in a small-scale extraction cell (273 cm3 and different extraction pressures (20 and 30 MPa and temperatures (313 and 343 K were investigated. Then, process scaling-up to a larger extraction cell (1350 cm3 was analyzed using well-known semi-empirical engineering approaches. The Broken and Intact Cell (BIC model was adjusted to represent the kinetic behavior of the low-scale extraction and to simulate the large-scale conditions. Extraction yields obtained were in the range 0.1%–3.2%. Most of the Mortiño solutes are readily accessible and, thus, 92% of the extractable material was recovered in around 30 min. The constant CO2 residence time criterion produced excellent results regarding the small-scale kinetic curve according to the BIC model, and this conclusion was experimentally validated in large-scale kinetic experiments.

  11. Vaccinium meridionale Swartz Supercritical CO2 Extraction: Effect of Process Conditions and Scaling Up

    Science.gov (United States)

    López-Padilla, Alexis; Ruiz-Rodriguez, Alejandro; Restrepo Flórez, Claudia Estela; Rivero Barrios, Diana Marsela; Reglero, Guillermo; Fornari, Tiziana

    2016-01-01

    Vaccinium meridionale Swartz (Mortiño or Colombian blueberry) is one of the Vaccinium species abundantly found across the Colombian mountains, which are characterized by high contents of polyphenolic compounds (anthocyanins and flavonoids). The supercritical fluid extraction (SFE) of Vaccinium species has mainly focused on the study of V. myrtillus L. (blueberry). In this work, the SFE of Mortiño fruit from Colombia was studied in a small-scale extraction cell (273 cm3) and different extraction pressures (20 and 30 MPa) and temperatures (313 and 343 K) were investigated. Then, process scaling-up to a larger extraction cell (1350 cm3) was analyzed using well-known semi-empirical engineering approaches. The Broken and Intact Cell (BIC) model was adjusted to represent the kinetic behavior of the low-scale extraction and to simulate the large-scale conditions. Extraction yields obtained were in the range 0.1%–3.2%. Most of the Mortiño solutes are readily accessible and, thus, 92% of the extractable material was recovered in around 30 min. The constant CO2 residence time criterion produced excellent results regarding the small-scale kinetic curve according to the BIC model, and this conclusion was experimentally validated in large-scale kinetic experiments. PMID:28773640

  12. Kinetic of formation for single carbon dioxide and mixed carbon dioxide and tetrahydrofuran hydrates in water and sodium chloride aqueous solution

    NARCIS (Netherlands)

    Sabil, K.M.; Duarte, A.R.C.; Zevenbergen, J.F.; Ahmad, M.M.; Yusup, S.; Omar, A.A.; Peters, C.J.

    2010-01-01

    A laboratory-scale reactor system is built and operated to measure the kinetic of formation for single and mixed carbon dioxide-tetrahydrofuran hydrates. The T-cycle method, which is used to collect the kinetic data, is briefly discussed. For single carbon dioxide hydrate, the induction time

  13. Crossing the mesoscale no-mans land via parallel kinetic Monte Carlo.

    Energy Technology Data Exchange (ETDEWEB)

    Garcia Cardona, Cristina (San Diego State University); Webb, Edmund Blackburn, III; Wagner, Gregory John; Tikare, Veena; Holm, Elizabeth Ann; Plimpton, Steven James; Thompson, Aidan Patrick; Slepoy, Alexander (U. S. Department of Energy, NNSA); Zhou, Xiao Wang; Battaile, Corbett Chandler; Chandross, Michael Evan

    2009-10-01

    The kinetic Monte Carlo method and its variants are powerful tools for modeling materials at the mesoscale, meaning at length and time scales in between the atomic and continuum. We have completed a 3 year LDRD project with the goal of developing a parallel kinetic Monte Carlo capability and applying it to materials modeling problems of interest to Sandia. In this report we give an overview of the methods and algorithms developed, and describe our new open-source code called SPPARKS, for Stochastic Parallel PARticle Kinetic Simulator. We also highlight the development of several Monte Carlo models in SPPARKS for specific materials modeling applications, including grain growth, bubble formation, diffusion in nanoporous materials, defect formation in erbium hydrides, and surface growth and evolution.

  14. Approach to kinetic energy density functionals: Nonlocal terms with the structure of the von Weizsaecker functional

    International Nuclear Information System (INIS)

    Garcia-Aldea, David; Alvarellos, J. E.

    2008-01-01

    We propose a kinetic energy density functional scheme with nonlocal terms based on the von Weizsaecker functional, instead of the more traditional approach where the nonlocal terms have the structure of the Thomas-Fermi functional. The proposed functionals recover the exact kinetic energy and reproduce the linear response function of homogeneous electron systems. In order to assess their quality, we have tested the total kinetic energies as well as the kinetic energy density for atoms. The results show that these nonlocal functionals give as good results as the most sophisticated functionals in the literature. The proposed scheme for constructing the functionals means a step ahead in the field of fully nonlocal kinetic energy functionals, because they are capable of giving better local behavior than the semilocal functionals, yielding at the same time accurate results for total kinetic energies. Moreover, the functionals enjoy the possibility of being evaluated as a single integral in momentum space if an adequate reference density is defined, and then quasilinear scaling for the computational cost can be achieved

  15. Kinetics in radiation chemistry

    International Nuclear Information System (INIS)

    Hummel, A.

    1987-01-01

    In this chapter the authors first briefly review the kinetics of first- and second-order processes for continuous and pulsed irradiation, without taking the effects of nonhomogeneous formation of the species into consideration. They also discuss diffusion controlled reactions under conditions where interactions of more than two particles can be neglected, first the kinetics of the diffusion-controlled reaction of randomly generated species (homogeneous reaction) and then that of isolated pairs of reactants. The latter is often called geminate kinetics when dealing with pairs of oppositely charged species; they shall use this term for the kinetics of isolated pairs in general. In the last section they discuss briefly the kinetics of groups of more than two reactants

  16. An innovative approach to enhance methane hydrate formation kinetics with leucine for energy storage application

    International Nuclear Information System (INIS)

    Veluswamy, Hari Prakash; Kumar, Asheesh; Kumar, Rajnish; Linga, Praveen

    2017-01-01

    Highlights: • Innovative combinatorial hybrid approach to reduce nucleation stochasticity and enhance hydrate growth. • Methane hydrate growth curves are similar in UTR and STR configurations in presence of leucine. • Amalgamation of stirred (STR) and unstirred (UTR) configuration is demonstrated. • Reliable method for scale up and commercial production of Solidified Natural Gas (SNG). - Abstract: Natural gas storage in clathrate hydrates or solidified natural gas (SNG) offers the safest, cleanest and the most compact mode of storage aided by the relative ease in natural gas (NG) recovery with minimal cost compared to known conventional methods of NG storage. The stochastic nature of hydrate nucleation and the slow kinetics of hydrate growth are major challenges that needs to be addressed on the SNG production side. A deterministic and fast nucleation coupled with rapid crystallization kinetics would empower this beneficial technology for commercial application. We propose a hybrid combinatorial approach of methane hydrate formation utilizing the beneficial aspect of environmentally benign amino acid (leucine) as a kinetic promoter by combining stirred and unstirred reactor operation. This hybrid approach is simple, can easily be implemented and scaled-up to develop an economical SNG technology for efficient storage of natural gas on a large scale. Added benefits include the minimal energy requirement during hydrate growth resulting in overall cost reduction for SNG technology.

  17. Study of physical mechanisms and their influence on dry anaerobic digestion kinetics: experimentations and modelization

    International Nuclear Information System (INIS)

    Bollon, Julien

    2012-01-01

    Anaerobic digestion is a biological process that converts organic matter into a methane rich gas (biogas). Among industrial technologies, dry processes (above 15 % total solid content) are more and more used because of their advantages in comparison with conventional wet processes. However, dry anaerobic digestion processes are poorly known and studied because of the 'pasty' nature of digestion media (rheological behavior, equilibria, transfers, biological kinetics). This thesis focuses on two major aspects: i) the nature of the chemical equilibria (sorption, diffusion) involved in digestion media, ii) the establishment and application of a kinetic model adapted to dry media. We first demonstrated that the diffusional mass transfer is highly reduced with increasing total solid without any agitation. One of the consequences is the importance of the liquid-gas transfer for the production of biogas. Then, we have developed a dedicated kinetic model that enables to understand the variability of the kinetic with total solid content. The impacts of this work are both at the laboratory scale, especially for the operation of Specific Methanogenic Activity tests, and at industrial scale, with the need to control total solid content for optimal efficiency, and to adapt the agitation to improve degradation yields. The developed model can be useful for the design and operation of bio-methanization facilities. (author) [fr

  18. Sulphate Incorporation in Borosilicate Glasses and Melts: a Kinetic Approach

    Energy Technology Data Exchange (ETDEWEB)

    Lenoir, M. [CEA, DEN, Laboratoire d' etude et de Developpement de Matrices de Conditionnement, Centre de Marcoule, 30207 Bagnols-sur-Ceze (France); Physique des Mineraux et Magmas, UMR 7047, CNRS- Institut de Physique du Globe de Paris, 7 place Jussieu, 75252 Paris 05 (France); Grandjean, A. [Institut de Chimie Separative de Marcoule, UMR 5257, Laboratoire des Nanomateriaux Autoreparants, Marcoule, 30207 Bagnols-sur-Ceze (France); Dussossoy, J.L. [CEA, DEN, Laboratoire d' etude et de Developpement de Matrices de Conditionnement, Centre de Marcoule, 30207 Bagnols-sur-Ceze (France); Neuville, D.R. [Physique des Mineraux et Magmas, UMR 7047, CNRS- Institut de Physique du Globe de Paris, 7 place Jussieu, 75252 Paris 05 (France)

    2008-07-01

    The kinetics of sulphate departure in a sodium borosilicate melt were studied using in situ Raman spectroscopy. This technique allows the quantification of the amount of sulphate dissolved in a borosilicate glass as a function of heating time by comparison with measurements obtained by microprobe wavelength dispersive spectrometry. To quantify the sulphate content obtained with Raman spectroscopy, the integrated intensity of the sulphate band at 990 cm{sup -1} was scaled to the sum of the integrated bands between 800 and 1200 cm{sup -1}, bands that are assigned to Qn silica units on the basis of previous literature. Calibration curves were then determined for two different samples. An evaluation of the kinetics of departure of sulphate could thus be made as a function of the viscosity of the borosilicate glass, showing that the kinetics were controlled by the diffusion of sulphate and its volatilization from the melt. This experimental method allows in situ measurements of sulphate content at high temperature which cannot be obtained by any other simple technique. (authors)

  19. Field-aligned currents' scale analysis performed with the Swarm constellation

    DEFF Research Database (Denmark)

    Lühr, Hermann; Park, Jaeheung; Gjerløv, Jesper Wittendorff

    2015-01-01

    We present a statistical study of the temporal- and spatial-scale characteristics of different field-aligned current (FAC) types derived with the Swarm satellite formation. We divide FACs into two classes: small-scale, up to some 10 km, which are carried predominantly by kinetic Alfve´n waves...

  20. Micro- and macro-scale self-organization in a dissipative plasma

    International Nuclear Information System (INIS)

    Skoric, M.M.; Sato, T.; Maluckov, A.; Jovanovic, M.S.

    1998-10-01

    We study a nonlinear three-wave interaction in an open dissipative model of stimulated Raman backscattering in a plasma. A hybrid kinetic-fluid scheme is proposed to include anomalous kinetic dissipation due to electron trapping and plasma wave breaking. We simulate a finite plasma with open boundaries and vary a transport parameter to examine a route to spatio-temporal complexity. An interplay between self-organization at micro (kinetic) and macro (wave/fluid) scales is revealed through quasi-periodic and intermittent evolution of dynamical variables, dissipative structures and related entropy rates. An evidence that entropy rate extrema correspond to structural transitions is found. (author)

  1. Determining Li+-Coupled Redox Targeting Reaction Kinetics of Battery Materials with Scanning Electrochemical Microscopy.

    Science.gov (United States)

    Yan, Ruiting; Ghilane, Jalal; Phuah, Kia Chai; Pham Truong, Thuan Nguyen; Adams, Stefan; Randriamahazaka, Hyacinthe; Wang, Qing

    2018-02-01

    The redox targeting reaction of Li + -storage materials with redox mediators is the key process in redox flow lithium batteries, a promising technology for next-generation large-scale energy storage. The kinetics of the Li + -coupled heterogeneous charge transfer between the energy storage material and redox mediator dictates the performance of the device, while as a new type of charge transfer process it has been rarely studied. Here, scanning electrochemical microscopy (SECM) was employed for the first time to determine the interfacial charge transfer kinetics of LiFePO 4 /FePO 4 upon delithiation and lithiation by a pair of redox shuttle molecules FcBr 2 + and Fc. The effective rate constant k eff was determined to be around 3.70-6.57 × 10 -3 cm/s for the two-way pseudo-first-order reactions, which feature a linear dependence on the composition of LiFePO 4 , validating the kinetic process of interfacial charge transfer rather than bulk solid diffusion. In addition, in conjunction with chronoamperometry measurement, the SECM study disproves the conventional "shrinking-core" model for the delithiation of LiFePO 4 and presents an intriguing way of probing the phase boundary propagations induced by interfacial redox reactions. This study demonstrates a reliable method for the kinetics of redox targeting reactions, and the results provide useful guidance for the optimization of redox targeting systems for large-scale energy storage.

  2. Establishing the kinetics of ballistic-to-diffusive transition using directional statistics

    Science.gov (United States)

    Liu, Pai; Heinson, William R.; Sumlin, Benjamin J.; Shen, Kuan-Yu; Chakrabarty, Rajan K.

    2018-04-01

    We establish the kinetics of ballistic-to-diffusive (BD) transition observed in two-dimensional random walk using directional statistics. Directional correlation is parameterized using the walker's turning angle distribution, which follows the commonly adopted wrapped Cauchy distribution (WCD) function. During the BD transition, the concentration factor (ρ) governing the WCD shape is observed to decrease from its initial value. We next analytically derive the relationship between effective ρ and time, which essentially quantifies the BD transition rate. The prediction of our kinetic expression agrees well with the empirical datasets obtained from correlated random walk simulation. We further connect our formulation with the conventionally used scaling relationship between the walker's mean-square displacement and time.

  3. Kinetic equation solution by inverse kinetic method

    International Nuclear Information System (INIS)

    Salas, G.

    1983-01-01

    We propose a computer program (CAMU) which permits to solve the inverse kinetic equation. The CAMU code is written in HPL language for a HP 982 A microcomputer with a peripheral interface HP 9876 A ''thermal graphic printer''. The CAMU code solves the inverse kinetic equation by taking as data entry the output of the ionization chambers and integrating the equation with the help of the Simpson method. With this program we calculate the evolution of the reactivity in time for a given disturbance

  4. Thermal conversion of polyolefins/polystyrene ternary mixtures: Kinetics and pyrolysis on a laboratory and commercial scales

    Czech Academy of Sciences Publication Activity Database

    Straka, Pavel; Bičáková, Olga; Šupová, Monika

    2017-01-01

    Roč. 128, November (2017), s. 196-207 ISSN 0165-2370 Institutional support: RVO:67985891 Keywords : kinetics * pyrolysis * oil * waste plastics * GS-MS * TG-MS Subject RIV: DM - Solid Waste and Recycling OBOR OECD: Energy and fuels Impact factor: 3.471, year: 2016

  5. In-stream nutrient uptake kinetics along stream size and development gradients in a rapidly developing mountain resort watershed

    Science.gov (United States)

    Covino, T.; McGlynn, B.; McNamarra, R.; Gardner, K.

    2012-04-01

    Land use / land cover (LULC) change including mountain resort development often lead to increased nutrient loading to streams, however the potential influence on stream ecosystem nutrient uptake kinetics and transport remain poorly understood. Given the deleterious impacts elevated nutrient loading can have on aquatic ecosystems, it is imperative to improve understanding of nutrient retention capacities across stream scales and watershed development intensities. We performed seventeen nutrient addition experiments on six streams across the West Fork Gallatin Watershed, Montana, USA, to quantify nitrogen (N) uptake kinetics and retention dynamics across stream sizes (1st to 4th order) and along a mountain resort development gradient. We observed that stream N uptake kinetics and spiraling parameters varied across streams of different development intensity and scale. In more developed watersheds we observed a fertilization affect, however, none of the streams exhibited saturation with respect to N. Additionally, we observed that elevated loading led to increased biomass and retentive capacities in developed streams that helped maintain export at low levels during baseflow. Our results indicate that LULC can enhance in-stream uptake of limiting nutrients and highlight the value of characterizing uptake kinetic curves from ambient to saturation.

  6. Introduction to chemical kinetics

    CERN Document Server

    Soustelle, Michel

    2013-01-01

    This book is a progressive presentation of kinetics of the chemical reactions. It provides complete coverage of the domain of chemical kinetics, which is necessary for the various future users in the fields of Chemistry, Physical Chemistry, Materials Science, Chemical Engineering, Macromolecular Chemistry and Combustion. It will help them to understand the most sophisticated knowledge of their future job area. Over 15 chapters, this book present the fundamentals of chemical kinetics, its relations with reaction mechanisms and kinetic properties. Two chapters are then devoted to experimental re

  7. Correction of Excessive Precipitation Over Steep and High Mountains in a General Circulation Model

    Science.gov (United States)

    Chao, Winston C.

    2012-01-01

    Excessive precipitation over steep and high mountains (EPSM) is a well-known problem in GCMs and meso-scale models. This problem impairs simulation and data assimilation products. Among the possible causes investigated in this study, we found that the most important one, by far, is a missing upward transport of heat out of the boundary layer due to the vertical circulations forced by the daytime upslope winds, which are forced by the heated boundary layer on subgrid-scale slopes. These upslope winds are associated with large subgrid-scale topographic variation, which is found over steep and high mountains. Without such subgridscale heat ventilation, the resolvable-scale upslope flow in the boundary layer generated by surface sensible heat flux along the mountain slopes is excessive. Such an excessive resolvablescale upslope flow combined with the high moisture content in the boundary layer results in excessive moisture transport toward mountaintops, which in turn gives rise to EPSM. Other possible causes of EPSM that we have investigated include 1) a poorly-designed horizontal moisture flux in the terrain-following coordinates, 2) the condition for cumulus convection being too easily satisfied at mountaintops, 3) the presence of conditional instability of the computational kind, and 4) the absence of blocked flow drag. These are all minor or inconsequential. We have parameterized the ventilation effects of the subgrid-scale heated-slope-induced vertical circulation (SHVC) by removing heat from the boundary layer and depositing it in layers higher up when the topographic variance exceeds a critical value. Test results using NASA/Goddard's GEOS-S GCM have shown that this largely solved the EPSM problem.

  8. Entropic Lattice Boltzmann: an implicit Large-Eddy Simulation?

    Science.gov (United States)

    Tauzin, Guillaume; Biferale, Luca; Sbragaglia, Mauro; Gupta, Abhineet; Toschi, Federico; Ehrhardt, Matthias; Bartel, Andreas

    2017-11-01

    We study the modeling of turbulence implied by the unconditionally stable Entropic Lattice Boltzmann Method (ELBM). We first focus on 2D homogeneous turbulence, for which we conduct numerical simulations for a wide range of relaxation times τ. For these simulations, we analyze the effective viscosity obtained by numerically differentiating the kinetic energy and enstrophy balance equations averaged over sub-domains of the computational grid. We aim at understanding the behavior of the implied sub-grid scale model and verify a formulation previously derived using Chapman-Enskog expansion. These ELBM benchmark simulations are thus useful to understand the range of validity of ELBM as a turbulence model. Finally, we will discuss an extension of the previously obtained results to the 3D case. Supported by the European Unions Framework Programme for Research and Innovation Horizon 2020 (2014-2020) under the Marie Sklodowska-Curie Grant Agreement No. 642069 and by the European Research Council under the ERC Grant Agreement No. 339032.

  9. Supercritical kinetic analysis in simplified system of fuel debris using integral kinetic model

    International Nuclear Information System (INIS)

    Tuya, Delgersaikhan; Obara, Toru

    2016-01-01

    Highlights: • Kinetic analysis in simplified weakly coupled fuel debris system was performed. • The integral kinetic model was used to simulate criticality accidents. • The fission power and released energy during simulated accident were obtained. • Coupling between debris regions and its effect on the fission power was obtained. - Abstract: Preliminary prompt supercritical kinetic analyses in a simplified coupled system of fuel debris designed to roughly resemble a melted core of a nuclear reactor were performed using an integral kinetic model. The integral kinetic model, which can describe region- and time-dependent fission rate in a coupled system of arbitrary geometry, was used because the fuel debris system is weakly coupled in terms of neutronics. The results revealed some important characteristics of coupled systems, such as the coupling between debris regions and the effect of the coupling on the fission rate and released energy in each debris region during the simulated criticality accident. In brief, this study showed that the integral kinetic model can be applied to supercritical kinetic analysis in fuel debris systems and also that it can be a useful tool for investigating the effect of the coupling on consequences of a supercritical accident.

  10. Topology optimization for nano-scale heat transfer

    DEFF Research Database (Denmark)

    Evgrafov, Anton; Maute, Kurt; Yang, Ronggui

    2009-01-01

    We consider the problem of optimal design of nano-scale heat conducting systems using topology optimization techniques. At such small scales the empirical Fourier's law of heat conduction no longer captures the underlying physical phenomena because the mean-free path of the heat carriers, phonons...... in our case, becomes comparable with, or even larger than, the feature sizes of considered material distributions. A more accurate model at nano-scales is given by kinetic theory, which provides a compromise between the inaccurate Fourier's law and precise, but too computationally expensive, atomistic...

  11. Kinetic roughening and pinning of coupled precursor and impregnation fronts in porous media

    International Nuclear Information System (INIS)

    Balankin, Alexander S.; Garcia Paredes, Rafael; Marquez Gonsalez, Jesus; Susarrey Huerta, Orlando; Morales Matamoros, Daniel; Castrejon Vacio, Fernando

    2006-01-01

    In the paper wetting experiments at low evaporation rate, after a short Washburn regime the film flow of filtered water overtakes the main impregnation front. Accordingly, we study the kinetic roughening dynamics and pinning of two strongly coupled fronts moving in different papers. We find that the kinetic roughening dynamics of precursor and main fronts belongs to different universality classes, nevertheless, at the final stage the distance between the fronts decrease until both fronts are pinned in the same configuration z P (x,y), the scaling properties of which are determined by the long-range correlations in the pore network

  12. A high-resolution code for large eddy simulation of incompressible turbulent boundary layer flows

    KAUST Repository

    Cheng, Wan; Samtaney, Ravi

    2014-01-01

    examples to establish the fourth-order accuracy and energy conservation property of the code. Furthermore, we implement a recycling method to generate turbulent inflow. We use the stretched spiral vortex subgrid-scale model and virtual wall model

  13. New types of experimental data shape the use of enzyme kinetics for dynamic network modeling.

    Science.gov (United States)

    Tummler, Katja; Lubitz, Timo; Schelker, Max; Klipp, Edda

    2014-01-01

    Since the publication of Leonor Michaelis and Maude Menten's paper on the reaction kinetics of the enzyme invertase in 1913, molecular biology has evolved tremendously. New measurement techniques allow in vivo characterization of the whole genome, proteome or transcriptome of cells, whereas the classical enzyme essay only allows determination of the two Michaelis-Menten parameters V and K(m). Nevertheless, Michaelis-Menten kinetics are still commonly used, not only in the in vitro context of enzyme characterization but also as a rate law for enzymatic reactions in larger biochemical reaction networks. In this review, we give an overview of the historical development of kinetic rate laws originating from Michaelis-Menten kinetics over the past 100 years. Furthermore, we briefly summarize the experimental techniques used for the characterization of enzymes, and discuss web resources that systematically store kinetic parameters and related information. Finally, describe the novel opportunities that arise from using these data in dynamic mathematical modeling. In this framework, traditional in vitro approaches may be combined with modern genome-scale measurements to foster thorough understanding of the underlying complex mechanisms. © 2013 FEBS.

  14. Principles of chemical kinetics

    CERN Document Server

    House, James E

    2007-01-01

    James House's revised Principles of Chemical Kinetics provides a clear and logical description of chemical kinetics in a manner unlike any other book of its kind. Clearly written with detailed derivations, the text allows students to move rapidly from theoretical concepts of rates of reaction to concrete applications. Unlike other texts, House presents a balanced treatment of kinetic reactions in gas, solution, and solid states. The entire text has been revised and includes many new sections and an additional chapter on applications of kinetics. The topics covered include quantitative rela

  15. Determination of urea kinetics by isotope dilution with [C-13]urea and gas chromatography isotope ratio mass spectrometry (GC-IRMS) analysis

    NARCIS (Netherlands)

    Kloppenburg, Wybe; Wolthers, BG; Stellaard, F; Elzinga, H; Tepper, T; deJong, PE; Huisman, RM

    1. Stable urea isotopes can be used to study urea kinetics in humans, The use of stable urea isotopes far studying urea kinetic parameters in humans on a large scale is hampered by the high costs of the labelled material, We devised a urea dilution for measurement of the distribution volume,

  16. An efficient approach to bioconversion kinetic model generation based on automated microscale experimentation integrated with model driven experimental design

    DEFF Research Database (Denmark)

    Chen, B. H.; Micheletti, M.; Baganz, F.

    2009-01-01

    -erythrulose. Experiments were performed using automated microwell studies at the 150 or 800 mu L scale. The derived kinetic parameters were then verified in a second round of experiments where model predictions showed excellent agreement with experimental data obtained under conditions not included in the original......Reliable models of enzyme kinetics are required for the effective design of bioconversion processes. Kinetic expressions of the enzyme-catalysed reaction rate however, are frequently complex and establishing accurate values of kinetic parameters normally requires a large number of experiments....... These can be both time consuming and expensive when working with the types of non-natural chiral intermediates important in pharmaceutical syntheses. This paper presents ail automated microscale approach to the rapid and cost effective generation of reliable kinetic models useful for bioconversion process...

  17. On the Flow Instabilities and Turbulent Kinetic Energy of Large-Scale Francis Hydroturbine Model at Low Flow Rate Conditions

    Directory of Open Access Journals (Sweden)

    Wen-Tao Su

    2014-07-01

    Full Text Available This paper is to make a better understanding of the flow instabilities and turbulent kinetic energy (TKE features in a large-scale Francis hydroturbine model. The flow instability with aspect of pressure oscillation and pressure-velocity correlation was investigated using large eddy simulation (LES method along with two-phase cavitation model. The numerical simulation procedures were validated by the existing experimental result, and further the TKE evolution was analyzed in a curvilinear coordinates. By monitoring the fluctuating pressure and velocities in the vanes’ wake region, the local pressure and velocity variations were proven to have a phase difference approaching π/2, with a reasonable cross-correlation coefficient. Also the simultaneous evolution of pressure fluctuations at the opposite locations possessed a clear phase difference of π, indicating the stresses variations on the runner induced by pressure oscillation were in an odd number of nodal diameter. Considering the TKE generation, the streamwise velocity component us′2 contributed the most to the TKE, and thus the normal stress production term and shear stress production term imparted more instability to the flow than other production terms.

  18. Kinetics model development of cocoa bean fermentation

    Science.gov (United States)

    Kresnowati, M. T. A. P.; Gunawan, Agus Yodi; Muliyadini, Winny

    2015-12-01

    Although Indonesia is one of the biggest cocoa beans producers in the world, Indonesian cocoa beans are oftenly of low quality and thereby frequently priced low in the world market. In order to improve the quality, adequate post-harvest cocoa processing techniques are required. Fermentation is the vital stage in series of cocoa beans post harvest processing which could improve the quality of cocoa beans, in particular taste, aroma, and colours. During the fermentation process, combination of microbes grow producing metabolites that serve as the precursors for cocoa beans flavour. Microbial composition and thereby their activities will affect the fermentation performance and influence the properties of cocoa beans. The correlation could be reviewed using a kinetic model that includes unstructured microbial growth, substrate utilization and metabolic product formation. The developed kinetic model could be further used to design cocoa bean fermentation process to meet the expected quality. Further the development of kinetic model of cocoa bean fermentation also serve as a good case study of mixed culture solid state fermentation, that has rarely been studied. This paper presents the development of a kinetic model for solid-state cocoa beans fermentation using an empirical approach. Series of lab scale cocoa bean fermentations, either natural fermentations without starter addition or fermentations with mixed yeast and lactic acid bacteria starter addition, were used for model parameters estimation. The results showed that cocoa beans fermentation can be modelled mathematically and the best model included substrate utilization, microbial growth, metabolites production and its transport. Although the developed model still can not explain the dynamics in microbial population, this model can sufficiently explained the observed changes in sugar concentration as well as metabolic products in the cocoa bean pulp.

  19. Mixing Rules Formulation for a Kinetic Model of the Langmuir-Hinshelwood Semipredictive Type Applied to the Heterogeneous Photocatalytic Degradation of Multicomponent Mixtures

    Directory of Open Access Journals (Sweden)

    John Wilman Rodriguez-Acosta

    2014-01-01

    Full Text Available Mixing rules coupled to a semipredictive kinetic model of the Langmuir-Hinshelwood type were proposed to determine the behavior of the heterogeneous solar photodegradation with TiO2-P25 of multicomponent mixtures at pilot scale. The kinetic expressions were expressed in terms of the effective concentration of total organic carbon (xTOC. An expression was obtained in a generalized form which is a function of the mixing rules as a product of a global contribution of the reaction rate constant k′ and a mixing function fC. Kinetic parameters of the model were obtained using the Nelder and Mead (N-M algorithm. The kinetic model was validated with experimental data obtained from the degradation of binary mixtures of chlorinated compounds (DCA: dichloroacetic acid and 4-CP: 4-chlorophenol at different initial global concentration, using a CPC reactor at pilot scale. A simplex-lattice {2,3} design experiment was adopted to perform the runs.

  20. Hydrogen absorption kinetics and structural properties of Mg85Ni10Ca5 and Mg90Ni10

    International Nuclear Information System (INIS)

    Aoki, Masakazu; Saito, Katsushi; Towata, Shin-ichi

    2005-01-01

    Mg 85 Ni 10 Ca 5 and Mg 90 Ni 10 were prepared by melting mixtures of the elements in mild steel crucibles and pouring them into copper molds. Hydrogen absorption kinetics and structural properties of the alloys were characterized by the volumetric method using a Sievert's apparatus, X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The crystallite size of Mg in Mg 85 Ni 10 Ca 5 , which is evaluated by XRD peak broadening, is about 50% smaller than that in Mg 90 Ni 10 . In addition, the nanometer-scale structure composed of Mg, Mg 2 Ni, Mg 2 Ca was observed in Mg 85 Ni 10 Ca 5 . Mg 85 Ni 10 Ca 5 shows better hydrogen absorption kinetics than Mg 90 Ni 10 in the temperature range of room temperature to 573 K. The better absorption kinetics of Mg 85 Ni 10 Ca 5 is mainly attributed to the nanometer-scale structure

  1. Conversion of magnetic energy to runaway kinetic energy during the termination of runaway current on the J-TEXT tokamak

    Science.gov (United States)

    Dai, A. J.; Chen, Z. Y.; Huang, D. W.; Tong, R. H.; Zhang, J.; Wei, Y. N.; Ma, T. K.; Wang, X. L.; Yang, H. Y.; Gao, H. L.; Pan, Y.; the J-TEXT Team

    2018-05-01

    A large number of runaway electrons (REs) with energies as high as several tens of mega-electron volt (MeV) may be generated during disruptions on a large-scale tokamak. The kinetic energy carried by REs is eventually deposited on the plasma-facing components, causing damage and posing a threat on the operation of the tokamak. The remaining magnetic energy following a thermal quench is significant on a large-scale tokamak. The conversion of magnetic energy to runaway kinetic energy will increase the threat of runaway electrons on the first wall. The magnetic energy dissipated inside the vacuum vessel (VV) equals the decrease of initial magnetic energy inside the VV plus the magnetic energy flowing into the VV during a disruption. Based on the estimated magnetic energy, the evolution of magnetic-kinetic energy conversion are analyzed through three periods in disruptions with a runaway current plateau.

  2. Plasma kinetic theory

    International Nuclear Information System (INIS)

    Elliott, J.A.

    1993-01-01

    Plasma kinetic theory is discussed and a comparison made with the kinetic theory of gases. The plasma is described by a modified set of fluid equations and it is shown how these fluid equations can be derived. (UK)

  3. Kinetic Control of Aqueous Hydrolysis: Modulating Structure/Property Relationships in Inorganic Crystals

    Science.gov (United States)

    Neilson, James R.

    2011-12-01

    A grand challenge in materials science and chemistry revolves around the preparation of materials with desired properties by controlling structure on multiple length scales. Biology approaches this challenge by evolving tactics to transform soluble precursors into materials and composites with macro-scale and atomic precision. Studies of biomineralization in siliceous sponges led to the discovery of slow, catalytic hydrolysis of molecular precursors in the biogenesis of silica skeletal elements with well defined micro- and nano-scale architectures. However, the role of aqueous hydrolysis in the limit of kinetic control is not well understood; this allows us to form a central hypothesis: that the kinetics of hydrolysis modulate the structures of materials and their properties. As a model system, the diffusion of a simple hydrolytic catalyst (such as ammonia) across an air-water interface into a metal salt solution reproduces some aspects of the chemistry found in biomineralization, namely kinetic and vectorial control. Variation of the catalyst concentration modulates the hydrolysis rate, and thus alters the resulting structure of the inorganic crystals. Using aqueous solutions of cobalt(II) chloride, each product (cobalt hydroxide chloride) forms with a unique composition, despite being prepared from identical mother liquors. Synchrotron X-ray total scattering methods are needed to locate the atomic positions in the material, which are not aptly described by a traditional crystallographic unit cell due to structural disorder. Detailed definition of the structure confirms that the hydrolysis conditions systematically modulate the arrangement of atoms in the lattice. This tightly coupled control of crystal formation and knowledge of local and average structures of these materials provides insight into the unusual magnetic properties of these cobalt hydroxides. The compounds studied show significant and open magnetization loops with little variation with composition

  4. Statistics of the Navier–Stokes-alpha-beta regularization model for fluid turbulence

    International Nuclear Information System (INIS)

    Hinz, Denis F; Kim, Tae-Yeon; Fried, Eliot

    2014-01-01

    We explore one-point and two-point statistics of the Navier–Stokes-αβ regularization model at moderate Reynolds number (Re ≈ 200) in homogeneous isotropic turbulence. The results are compared to the limit cases of the Navier–Stokes-α model and the Navier–Stokes-αβ model without subgrid-scale stress, as well as with high-resolution direct numerical simulation. After reviewing spectra of different energy norms of the Navier–Stokes-αβ model, the Navier–Stokes-α model, and Navier–Stokes-αβ model without subgrid-scale stress, we present probability density functions and normalized probability density functions of the filtered and unfiltered velocity increments along with longitudinal velocity structure functions of the regularization models and direct numerical simulation results. We highlight differences in the statistical properties of the unfiltered and filtered velocity fields entering the governing equations of the Navier–Stokes-α and Navier–Stokes-αβ models and discuss the usability of both velocity fields for realistic flow predictions. The influence of the modified viscous term in the Navier–Stokes-αβ model is studied through comparison to the case where the underlying subgrid-scale stress tensor is neglected. Whereas, the filtered velocity field is found to have physically more viable probability density functions and structure functions for the approximation of direct numerical simulation results, the unfiltered velocity field is found to have flatness factors close to direct numerical simulation results. (paper)

  5. The effect of adiabatic and conducting wall boundary conditions on LES of a thermal mixing tee

    International Nuclear Information System (INIS)

    Howard, Richard J.A.; Pasutto, Thomas

    2009-01-01

    In this paper preliminary LES simulations are carried out of the FATHERINO mixing T junction experiment. In this experiment 80degC hot water enters a lateral steel pipe which has a diameter of D=0.054m, at a speed of 1.04m/s and meets 5degC cold water which enters a perpendicular steel pipe branch that also has a diameter D=0.054m but this time at a lower speed of 0.26m/s. The modelling of the steel pipe walls is tested by comparing adiabatic and 1D conducting wall boundary conditions. The numerical grid used contains approximately 440,000 hexahedral elements. The near wall refinement is not sufficient to resolve the near wall boundary layer (y + approx. = 32) and a standard logarithmic boundary condition is used. A method known as the synthetic eddy method is used to generate the turbulent flow at the pipe inlets. Three different LES models are used (Smagorinsky, dynamic Smagorinsky and wale) to resolve the subgrid turbulent motion beyond the wall grid. An additional test is carried out where no subgrid model is used with only the wall modelling being applied. The results show that the wale model generates much less resolved turbulence than the other cases and this model shows virtually no difference between the two methods of wall thermal modelling. The dynamic Smagorinsky model shows that, downstream of the mixing T, the lower wall remains at a lower temperature for longer when the adiabatic boundary condition is applied. The Smagorinsky model is found to produce the highest level of resolved temperature fluctuation. For this model the 1D thermal modelling approach increases the unsteadiness of both the velocity and temperature fields at the onset of the mixing and in the middle of the pipe downstream of the T junction. However near the lower wall the 1D thermal modelling approach tends to reduce the unsteadiness. The case with no subgrid modelling shows higher levels of turbulence kinetic energy but lower levels of temperature fluctuation than the cases with

  6. LARGE-EDDY SIMULATIONS OF A SEPARATION/REATTACHMENT BUBBLE IN A TURBULENT-BOUNDARY-LAYER SUBJECTED TO A PRESCRIBED UPPER-BOUNDARY, VERTICAL-VELOCITY PROFILE

    KAUST Repository

    Cheng, Wan; Pullin, D. I.; Samtaney, Ravi

    2015-01-01

    We describe large-eddy simulations of turbulent boundary-layer flow over a flat plate at high Reynolds number in the presence of an unsteady, three-dimensional flow separation/reattachment bubble. The stretched-vortex subgrid-scale model is used

  7. Satellite and Ground Signatures of Kinetic and Inertial Scale ULF Alfven Waves Propagating in Warm Plasma in Earth's Magnetosphere

    Science.gov (United States)

    Rankin, R.; Sydorenko, D.

    2015-12-01

    Results from a 3D global numerical model of Alfven wave propagation in a warm multi-species plasma in Earth's magnetosphere are presented. The model uses spherical coordinates, accounts for a non-dipole magnetic field, vertical structure of the ionosphere, and an air gap below the ionosphere. A realistic density model is used. Below the exobase altitude (2000 km) the densities and the temperatures of electrons, ions, and neutrals are obtained from the IRI and MSIS models. Above the exobase, ballistic (originating from the ionosphere and returning to ionosphere) and trapped (bouncing between two reflection points above the ionosphere) electron populations are considered similar to [Pierrard and Stegen (2008), JGR, v.113, A10209]. Plasma parameters at the exobase provided by the IRI are the boundary conditions for the ballistic electrons while the [Carpenter and Anderson (1992), JGR, v.97, p.1097] model of equatorial electron density defines parameters of the trapped electron population. In the simulations that are presented, Alfven waves with frequencies from 1 Hz to 0.01 Hz and finite azimuthal wavenumbers are excited in the magnetosphere and compared with Van Allen Probes data and ground-based observations from the CARISMA array of ground magnetometers. When short perpendicular scale waves reflect form the ionosphere, compressional Alfven waves are observed to propagate across the geomagnetic field in the ionospheric waveguide [e.g., Lysak (1999), JGR, v.104, p.10017]. Signals produced by the waves on the ground are discussed. The wave model is also applied to interpret recent Van Allen Probes observations of kinetic scale ULF waves that are associated with radiation belt electron dynamics and energetic particle injections.

  8. Numerical investigation of kinetic turbulence in relativistic pair plasmas - I. Turbulence statistics

    Science.gov (United States)

    Zhdankin, Vladimir; Uzdensky, Dmitri A.; Werner, Gregory R.; Begelman, Mitchell C.

    2018-02-01

    We describe results from particle-in-cell simulations of driven turbulence in collisionless, magnetized, relativistic pair plasma. This physical regime provides a simple setting for investigating the basic properties of kinetic turbulence and is relevant for high-energy astrophysical systems such as pulsar wind nebulae and astrophysical jets. In this paper, we investigate the statistics of turbulent fluctuations in simulations on lattices of up to 10243 cells and containing up to 2 × 1011 particles. Due to the absence of a cooling mechanism in our simulations, turbulent energy dissipation reduces the magnetization parameter to order unity within a few dynamical times, causing turbulent motions to become sub-relativistic. In the developed stage, our results agree with predictions from magnetohydrodynamic turbulence phenomenology at inertial-range scales, including a power-law magnetic energy spectrum with index near -5/3, scale-dependent anisotropy of fluctuations described by critical balance, lognormal distributions for particle density and internal energy density (related by a 4/3 adiabatic index, as predicted for an ultra-relativistic ideal gas), and the presence of intermittency. We also present possible signatures of a kinetic cascade by measuring power-law spectra for the magnetic, electric and density fluctuations at sub-Larmor scales.

  9. Structure of kinetic Alfvacute en waves with small transverse scale length

    International Nuclear Information System (INIS)

    Morales, G.J.; Maggs, J.E.

    1997-01-01

    This analytical study illustrates the spatial pattern of kinetic Alfvacute en waves excited by a current-modulating disk whose dimension a, transverse to the confining magnetic field, is comparable to the ion sound gyroradius c s /Ω i , where c s is the sound speed and Ω i the ion cyclotron frequency. The radial structure of the wave azimuthal magnetic field is found to consist of four regions: a Bessel function behavior for r a which merges onto the 1/r asymptotic region. The pattern spreads at an angle given by tanθ=(ω/Ω i )(c s /v A )/2.6, where ω is the modulation frequency and v A is the Alfvacute en speed. This behavior arises because there is a maximum value at finite k perpendicular for the ratio of the perpendicular to parallel group velocity, which differs from the cone spreading [G. J. Morales et al., Phys. Plasmas 1, 3765 (1994)] associated with inertial Alfvacute en waves. copyright 1997 American Institute of Physics

  10. Improving the Kinetics and Thermodynamics of Mg(BH4)2 for Hydrogen Storage

    Energy Technology Data Exchange (ETDEWEB)

    Wood, Brandon [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Klebanoff, Lennie [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Stavila, Vitalie [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Heo, Tae Wook [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Ray, Keith [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Lee, Jonathan [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Baker, Alex [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Kang, ShinYoung [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Yu, Hui-Chia [Univ. of Michigan, Ann Arbor, MI (United States); Thornton, Katsuyo [Univ. of Michigan, Ann Arbor, MI (United States)

    2017-10-31

    The objective of this project is to (1) combine theory, synthesis, and characterization across multiple scales to understand the intrinsic kinetic and thermodynamic limitations in MgB2/Mg(BH4)2; (2) construct and apply a flexible, validated, multiscale theoretical framework for modeling (de)hydrogenation kinetics of the Mg-B-H system and related metal hydrides; and (3) devise strategies for improving kinetics and thermodynamics, particularly through nanostructuring and doping. The project has an emphasis on understanding and improving rehydrogenation of MgB2, which has generally been less explored and is key to enabling practical use.

  11. An extended algebraic variational multiscale-multigrid-multifractal method (XAVM4) for large-eddy simulation of turbulent two-phase flow

    Science.gov (United States)

    Rasthofer, U.; Wall, W. A.; Gravemeier, V.

    2018-04-01

    A novel and comprehensive computational method, referred to as the eXtended Algebraic Variational Multiscale-Multigrid-Multifractal Method (XAVM4), is proposed for large-eddy simulation of the particularly challenging problem of turbulent two-phase flow. The XAVM4 involves multifractal subgrid-scale modeling as well as a Nitsche-type extended finite element method as an approach for two-phase flow. The application of an advanced structural subgrid-scale modeling approach in conjunction with a sharp representation of the discontinuities at the interface between two bulk fluids promise high-fidelity large-eddy simulation of turbulent two-phase flow. The high potential of the XAVM4 is demonstrated for large-eddy simulation of turbulent two-phase bubbly channel flow, that is, turbulent channel flow carrying a single large bubble of the size of the channel half-width in this particular application.

  12. Kinetic equation for spin-polarized plasmas

    International Nuclear Information System (INIS)

    Cowley, S.C.; Kulsrud, R.M.; Valeo, E.

    1984-07-01

    The usual kinetic description of a plasma is extended to include variables to describe the spin. The distribution function, over phase-space and the new spin variables, provides a sufficient description of a spin-polarized plasma. The evolution equation for the distribution function is given. The equations derived are used to calculate depolarization due to four processes, inhomogeneous fields, collisions, collisions in inhomogeneous fields, and waves. It is found that depolarization by field inhomogeneity on scales large compared with the gyroradius is totally negligible. The same is true for collisional depolarization. Collisions in inhomogeneous fields yield a depolarization rate of order 10 -4 S -1 for deuterons and a negligible rate for tritons in a typical fusion reactor design. This is still sufficiently small on reactor time scales. However, small amplitude magnetic fluctuations (of order one gauss) resonant with the spin precession frequency can lead to significant depolarization (depolarises triton in ten seconds and deuteron in a hundred seconds.)

  13. Kinetic Interface

    DEFF Research Database (Denmark)

    2009-01-01

    A kinetic interface for orientation detection in a video training system is disclosed. The interface includes a balance platform instrumented with inertial motion sensors. The interface engages a participant's sense of balance in training exercises.......A kinetic interface for orientation detection in a video training system is disclosed. The interface includes a balance platform instrumented with inertial motion sensors. The interface engages a participant's sense of balance in training exercises....

  14. Oxidation Kinetics of Cast TiAl3

    Science.gov (United States)

    Smialek, J. L.; Humphrey, D. L.

    1992-01-01

    The isothermal oxidation kinetics of the TiAl3 compound over a wide temperature range is documented, and these rates are related to exclusive alpha-Al2O3 scale growth. The specific weight change vs time curves are shown. Two abnormalities are immediately apparent. One is that a rapid initial uptake of oxygen occurs at times less than 5 h, followed by a lower oxidation rate at longer times, for tests at 900 C and below. The other is that the final weight changes for the 700, 800, and 900 C tests are not in the sequence expected with respect to temperature. Isothermal oxidation of drop cast TiAl above 1000 C was found to exhibit parabolic oxidation controlled by protective alpha-Al2O3 scale formation. TiAl is the only phase in the binary Ti-Al system that forms exclusive scales of alpha-Al2O3 in isothermal oxidation. High anomalous rates at short times and at temperatures below 1000 C resulted from the internal oxidation of a second phase of aluminum.

  15. Precision Scaling Relations for Disk Galaxies in the Local Universe

    Science.gov (United States)

    Lapi, A.; Salucci, P.; Danese, L.

    2018-05-01

    We build templates of rotation curves as a function of the I-band luminosity via the mass modeling (by the sum of a thin exponential disk and a cored halo profile) of suitably normalized, stacked data from wide samples of local spiral galaxies. We then exploit such templates to determine fundamental stellar and halo properties for a sample of about 550 local disk-dominated galaxies with high-quality measurements of the optical radius R opt and of the corresponding rotation velocity V opt. Specifically, we determine the stellar M ⋆ and halo M H masses, the halo size R H and velocity scale V H, and the specific angular momenta of the stellar j ⋆ and dark matter j H components. We derive global scaling relationships involving such stellar and halo properties both for the individual galaxies in our sample and for their mean within bins; the latter are found to be in pleasing agreement with previous determinations by independent methods (e.g., abundance matching techniques, weak-lensing observations, and individual rotation curve modeling). Remarkably, the size of our sample and the robustness of our statistical approach allow us to attain an unprecedented level of precision over an extended range of mass and velocity scales, with 1σ dispersion around the mean relationships of less than 0.1 dex. We thus set new standard local relationships that must be reproduced by detailed physical models, which offer a basis for improving the subgrid recipes in numerical simulations, that provide a benchmark to gauge independent observations and check for systematics, and that constitute a basic step toward the future exploitation of the spiral galaxy population as a cosmological probe.

  16. Temperature scaling method for Markov chains.

    Science.gov (United States)

    Crosby, Lonnie D; Windus, Theresa L

    2009-01-22

    The use of ab initio potentials in Monte Carlo simulations aimed at investigating the nucleation kinetics of water clusters is complicated by the computational expense of the potential energy determinations. Furthermore, the common desire to investigate the temperature dependence of kinetic properties leads to an urgent need to reduce the expense of performing simulations at many different temperatures. A method is detailed that allows a Markov chain (obtained via Monte Carlo) at one temperature to be scaled to other temperatures of interest without the need to perform additional large simulations. This Markov chain temperature-scaling (TeS) can be generally applied to simulations geared for numerous applications. This paper shows the quality of results which can be obtained by TeS and the possible quantities which may be extracted from scaled Markov chains. Results are obtained for a 1-D analytical potential for which the exact solutions are known. Also, this method is applied to water clusters consisting of between 2 and 5 monomers, using Dynamical Nucleation Theory to determine the evaporation rate constant for monomer loss. Although ab initio potentials are not utilized in this paper, the benefit of this method is made apparent by using the Dang-Chang polarizable classical potential for water to obtain statistical properties at various temperatures.

  17. ASPEN: A fully kinetic, reduced-description particle-in-cell model for simulating parametric instabilities

    International Nuclear Information System (INIS)

    Vu, H.X.; Bezzerides, B.; DuBois, D.F.

    1999-01-01

    A fully kinetic, reduced-description particle-in-cell (RPIC) model is presented in which deviations from quasineutrality, electron and ion kinetic effects, and nonlinear interactions between low-frequency and high-frequency parametric instabilities are modeled correctly. The model is based on a reduced description where the electromagnetic field is represented by three separate temporal envelopes in order to model parametric instabilities with low-frequency and high-frequency daughter waves. Because temporal envelope approximations are invoked, the simulation can be performed on the electron time scale instead of the time scale of the light waves. The electrons and ions are represented by discrete finite-size particles, permitting electron and ion kinetic effects to be modeled properly. The Poisson equation is utilized to ensure that space-charge effects are included. The RPIC model is fully three dimensional and has been implemented in two dimensions on the Accelerated Strategic Computing Initiative (ASCI) parallel computer at Los Alamos National Laboratory, and the resulting simulation code has been named ASPEN. The authors believe this code is the first particle-in-cell code capable of simulating the interaction between low-frequency and high-frequency parametric instabilities in multiple dimensions. Test simulations of stimulated Raman scattering, stimulated Brillouin scattering, and Langmuir decay instability are presented

  18. An accurate technique for the solution of the nonlinear point kinetics equations

    International Nuclear Information System (INIS)

    Picca, Paolo; Ganapol, Barry D.; Furfaro, Roberto

    2011-01-01

    A novel methodology for the solution of non-linear point kinetic (PK) equations is proposed. The technique is based on a piecewise constant approximation of PK system of ODEs and explicitly accounts for reactivity feedback effects, through an iterative cycle. High accuracy is reached by introducing a sub-mesh for the numerical evaluation of integrals involved and by correcting the source term to include the non-linear effect on a finer time scale. The use of extrapolation techniques for convergence acceleration is also explored. Results for adiabatic feedback model are reported and compared with other benchmarks in literature. The convergence trend makes the algorithm particularly attractive for applications, including in multi-point kinetics and quasi-static frameworks. (author)

  19. Amplification of large-scale magnetic field in nonhelical magnetohydrodynamics

    KAUST Repository

    Kumar, Rohit

    2017-08-11

    It is typically assumed that the kinetic and magnetic helicities play a crucial role in the growth of large-scale dynamo. In this paper, we demonstrate that helicity is not essential for the amplification of large-scale magnetic field. For this purpose, we perform nonhelical magnetohydrodynamic (MHD) simulation, and show that the large-scale magnetic field can grow in nonhelical MHD when random external forcing is employed at scale 1/10 the box size. The energy fluxes and shell-to-shell transfer rates computed using the numerical data show that the large-scale magnetic energy grows due to the energy transfers from the velocity field at the forcing scales.

  20. Effects of Magnetic and Kinetic Helicities on the Growth of Magnetic Fields in Laminar and Turbulent Flows by Helical Fourier Decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Linkmann, Moritz; Sahoo, Ganapati; Biferale, Luca [Department of Physics and INFN, University of Rome Tor Vergata, Via della Ricerca Scientifica 1, I-00133 Rome (Italy); McKay, Mairi; Berera, Arjun [School of Physics and Astronomy, University of Edinburgh, Peter Guthrie Tait Road, EH9 3FD, Edinburgh (United Kingdom)

    2017-02-10

    We present a numerical and analytical study of incompressible homogeneous conducting fluids using a helical Fourier representation. We analytically study both small- and large-scale dynamo properties, as well as the inverse cascade of magnetic helicity, in the most general minimal subset of interacting velocity and magnetic fields on a closed Fourier triad. We mainly focus on the dependency of magnetic field growth as a function of the distribution of kinetic and magnetic helicities among the three interacting wavenumbers. By combining direct numerical simulations of the full magnetohydrodynamics equations with the helical Fourier decomposition, we numerically confirm that in the kinematic dynamo regime the system develops a large-scale magnetic helicity with opposite sign compared to the small-scale kinetic helicity, a sort of triad-by-triad α -effect in Fourier space. Concerning the small-scale perturbations, we predict theoretically and confirm numerically that the largest instability is achived for the magnetic component with the same helicity of the flow, in agreement with the Stretch–Twist–Fold mechanism. Vice versa, in the presence of Lorentz feedback on the velocity, we find that the inverse cascade of magnetic helicity is mostly local if magnetic and kinetic helicities have opposite signs, while it is more nonlocal and more intense if they have the same sign, as predicted by the analytical approach. Our analytical and numerical results further demonstrate the potential of the helical Fourier decomposition to elucidate the entangled dynamics of magnetic and kinetic helicities both in fully developed turbulence and in laminar flows.

  1. Gyrokinetic Electron and Fully Kinetic Ion Particle Simulation of Collisionless Plasma Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Yu Lin; Xueyi Wang; Liu Chen; Zhihong Lin

    2009-08-11

    Fully kinetic-particle simulations and hybrid simulations have been utilized for decades to investigate various fundamental plasma processes, such as magnetic reconnection, fast compressional waves, and wave-particle interaction. Nevertheless, due to disparate temporal and spatial scales between electrons and ions, existing fully kinetic-particle codes have to employ either unrealistically high electron-to-ion mass ratio, me/mi, or simulation domain limited to a few or a few ten's of the ion Larmor radii, or/and time much less than the global Alfven time scale in order to accommodate available computing resources. On the other hand, in the hybrid simulation, the ions are treated as fully kinetic particles but the electrons are treated as a massless fluid. The electron kinetic effects, e.g., wave-particle resonances and finite electron Larmor radius effects, are completely missing. Important physics, such as the electron transit time damping of fast compressional waves or the triggering mechanism of magnetic reconnection in collisionless plasmas is absent in the hybrid codes. Motivated by these considerations and noting that dynamics of interest to us has frequencies lower than the electron gyrofrequency, we planned to develop an innovative particle simulation model, gyrokinetic (GK) electrons and fully kinetic (FK) ions. In the GK-electron and FK-ion (GKe/FKi) particle simulation model, the rapid electron cyclotron motion is removed, while keeping finite electron Larmor radii, realistic me/mi ratio, wave-particle interactions, and off-diagonal components of electron pressure tensor. The computation power can thus be significantly improved over that of the full-particle codes. As planned in the project DE-FG02-05ER54826, we have finished the development of the new GK-electron and FK-ion scheme, finished its benchmark for a uniform plasma in 1-D, 2-D, and 3-D systems against linear waves obtained from analytical theories, and carried out a further convergence

  2. Gyrokinetic Electron and Fully Kinetic Ion Particle Simulation of Collisionless Plasma Dynamics

    International Nuclear Information System (INIS)

    Lin, Yu; Wang, Xueyi; Chen, Liu; Lin, Zhihong

    2009-01-01

    Fully kinetic-particle simulations and hybrid simulations have been utilized for decades to investigate various fundamental plasma processes, such as magnetic reconnection, fast compressional waves, and wave-particle interaction. Nevertheless, due to disparate temporal and spatial scales between electrons and ions, existing fully kinetic-particle codes have to employ either unrealistically high electron-to-ion mass ratio, me/mi, or simulation domain limited to a few or a few ten's of the ion Larmor radii, or/and time much less than the global Alfven time scale in order to accommodate available computing resources. On the other hand, in the hybrid simulation, the ions are treated as fully kinetic particles but the electrons are treated as a massless fluid. The electron kinetic effects, e.g., wave-particle resonances and finite electron Larmor radius effects, are completely missing. Important physics, such as the electron transit time damping of fast compressional waves or the triggering mechanism of magnetic reconnection in collisionless plasmas is absent in the hybrid codes. Motivated by these considerations and noting that dynamics of interest to us has frequencies lower than the electron gyrofrequency, we planned to develop an innovative particle simulation model, gyrokinetic (GK) electrons and fully kinetic (FK) ions. In the GK-electron and FK-ion (GKe/FKi) particle simulation model, the rapid electron cyclotron motion is removed, while keeping finite electron Larmor radii, realistic me/mi ratio, wave-particle interactions, and off-diagonal components of electron pressure tensor. The computation power can thus be significantly improved over that of the full-particle codes. As planned in the project DE-FG02-05ER54826, we have finished the development of the new GK-electron and FK-ion scheme, finished its benchmark for a uniform plasma in 1-D, 2-D, and 3-D systems against linear waves obtained from analytical theories, and carried out a further convergence test

  3. Homogenization Kinetics of a Nickel-based Superalloy Produced by Powder Bed Fusion Laser Sintering.

    Science.gov (United States)

    Zhang, Fan; Levine, Lyle E; Allen, Andrew J; Campbell, Carelyn E; Lass, Eric A; Cheruvathur, Sudha; Stoudt, Mark R; Williams, Maureen E; Idell, Yaakov

    2017-04-01

    Additively manufactured (AM) metal components often exhibit fine dendritic microstructures and elemental segregation due to the initial rapid solidification and subsequent melting and cooling during the build process, which without homogenization would adversely affect materials performance. In this letter, we report in situ observation of the homogenization kinetics of an AM nickel-based superalloy using synchrotron small angle X-ray scattering. The identified kinetic time scale is in good agreement with thermodynamic diffusion simulation predictions using microstructural dimensions acquired by ex situ scanning electron microscopy. These findings could serve as a recipe for predicting, observing, and validating homogenization treatments in AM materials.

  4. Kinetic Physics of the Solar Corona and Solar Wind

    Directory of Open Access Journals (Sweden)

    Marsch Eckart

    2006-07-01

    Full Text Available Kinetic plasma physics of the solar corona and solar wind are reviewed with emphasis on the theoretical understanding of the in situ measurements of solar wind particles and waves, as well as on the remote-sensing observations of the solar corona made by means of ultraviolet spectroscopy and imaging. In order to explain coronal and interplanetary heating, the microphysics of the dissipation of various forms of mechanical, electric and magnetic energy at small scales (e.g., contained in plasma waves, turbulences or non-uniform flows must be addressed. We therefore scrutinise the basic assumptions underlying the classical transport theory and the related collisional heating rates, and also describe alternatives associated with wave-particle interactions. We elucidate the kinetic aspects of heating the solar corona and interplanetary plasma through Landau- and cyclotron-resonant damping of plasma waves, and analyse in detail wave absorption and micro instabilities. Important aspects (virtues and limitations of fluid models, either single- and multi-species or magnetohydrodynamic and multi-moment models, for coronal heating and solar wind acceleration are critically discussed. Also, kinetic model results which were recently obtained by numerically solving the Vlasov–Boltzmann equation in a coronal funnel and hole are presented. Promising areas and perspectives for future research are outlined finally.

  5. Modeling and analysis of large-eddy simulations of particle-laden turbulent boundary layer flows

    KAUST Repository

    Rahman, Mustafa M.; Samtaney, Ravi

    2017-01-01

    layer employs stretched spiral vortex subgrid-scale model and a virtual wall model similar to the work of Cheng, Pullin & Samtaney (J. Fluid Mech., 2015). This LES model is virtually parameter free and involves no active filtering of the computed

  6. A numerical scheme for a kinetic model for mixtures in the diffusive limit using the moment method

    OpenAIRE

    Bondesan , Andrea; Boudin , Laurent; Grec , Bérénice

    2018-01-01

    In this article, we consider a multi-species kinetic model which leads to the Maxwell-Stefan equations under a standard diffusive scaling (small Knudsen and Mach numbers). We propose a suitable numerical scheme which approximates both the solution of the kinetic model in rarefied regime and the one in the diffusion limit. We prove some a priori estimates (mass conservation and nonnegativity) and well-posedness of the discrete problem. We also present numerical examples where we observe the as...

  7. A Virtual Study of Grid Resolution on Experiments of a Highly-Resolved Turbulent Plume

    Science.gov (United States)

    Maisto, Pietro M. F.; Marshall, Andre W.; Gollner, Michael J.; Fire Protection Engineering Department Collaboration

    2017-11-01

    An accurate representation of sub-grid scale turbulent mixing is critical for modeling fire plumes and smoke transport. In this study, PLIF and PIV diagnostics are used with the saltwater modeling technique to provide highly-resolved instantaneous field measurements in unconfined turbulent plumes useful for statistical analysis, physical insight, and model validation. The effect of resolution was investigated employing a virtual interrogation window (of varying size) applied to the high-resolution field measurements. Motivated by LES low-pass filtering concepts, the high-resolution experimental data in this study can be analyzed within the interrogation windows (i.e. statistics at the sub-grid scale) and on interrogation windows (i.e. statistics at the resolved scale). A dimensionless resolution threshold (L/D*) criterion was determined to achieve converged statistics on the filtered measurements. Such a criterion was then used to establish the relative importance between large and small-scale turbulence phenomena while investigating specific scales for the turbulent flow. First order data sets start to collapse at a resolution of 0.3D*, while for second and higher order statistical moments the interrogation window size drops down to 0.2D*.

  8. Slow VO2 off-kinetics in skeletal muscle is associated with fast PCr off-kinetics--and inversely.

    Science.gov (United States)

    Korzeniewski, Bernard; Zoladz, Jerzy A

    2013-09-01

    The computer model of the bioenergetic system in skeletal muscle, developed previously, was used to study the effect of the characteristic decay time of the parallel activation of oxidative phosphorylation [τ(OFF)] during muscle recovery on the muscle oxygen consumption rate (Vo2) and phosphocreatine (PCr) work-to-rest transition (off)-kinetics and on the relationship between the Vo2 and PCr rest-to-work transition (on)- and off-kinetics in moderate and heavy exercise. An increase in τ(OFF) slows down the initial phase of the muscle Vo2 off-kinetics and accelerates the PCr off-kinetics. As a result, the relationship between the initial phase of the Vo2 off-kinetics (lasting approximately 3-60 s in computer simulations) and the PCr off-kinetics is inverse: the slower the former, the faster the latter. A faster initial phase of the Vo2 off-kinetics is associated with a slower late phase of the Vo2 off-kinetics, and as a result, the integral of Vo2 above baseline during recovery, representing the oxygen debt, is identical in all cases [values of τ(OFF)] for a given PCr decrease. Depending on τ(OFF), the muscle Vo2 on-kinetics was either equally fast or slower than the Vo2 off-kinetics in moderate exercise and always slower in heavy exercise. PCr on-kinetics was always faster than PCr off-kinetics. This study clearly demonstrates that τ(OFF) has a pronounced impact on the mutual relations between the muscle Vo2 and PCr on- and off-kinetics.

  9. Holographic kinetic k-essence model

    Energy Technology Data Exchange (ETDEWEB)

    Cruz, Norman [Departamento de Fisica, Facultad de Ciencia, Universidad de Santiago de Chile, Casilla 307, Santiago (Chile)], E-mail: ncruz@lauca.usach.cl; Gonzalez-Diaz, Pedro F.; Rozas-Fernandez, Alberto [Colina de los Chopos, Instituto de Fisica Fundamental, Consejo Superior de Investigaciones Cientificas, Serrano 121, 28006 Madrid (Spain)], E-mail: a.rozas@cfmac.csic.es; Sanchez, Guillermo [Departamento de Matematica y Ciencia de la Computacion, Facultad de Ciencia, Universidad de Santiago de Chile, Casilla 307, Santiago (Chile)], E-mail: gsanchez@usach.cl

    2009-08-31

    We consider a connection between the holographic dark energy density and the kinetic k-essence energy density in a flat FRW universe. With the choice c{>=}1, the holographic dark energy can be described by a kinetic k-essence scalar field in a certain way. In this Letter we show this kinetic k-essential description of the holographic dark energy with c{>=}1 and reconstruct the kinetic k-essence function F(X)

  10. Reflected kinetics model for nuclear space reactor kinetics and control scoping calculations

    Energy Technology Data Exchange (ETDEWEB)

    Washington, K.E.

    1986-05-01

    The objective of this research is to develop a model that offers an alternative to the point kinetics (PK) modelling approach in the analysis of space reactor kinetics and control studies. Modelling effort will focus on the explicit treatment of control drums as reactivity input devices so that the transition to automatic control can be smoothly done. The proposed model is developed for the specific integration of automatic control and the solution of the servo mechanism problem. The integration of the kinetics model with an automatic controller will provide a useful tool for performing space reactor scoping studies for different designs and configurations. Such a tool should prove to be invaluable in the design phase of a space nuclear system from the point of view of kinetics and control limitations.

  11. Reflected kinetics model for nuclear space reactor kinetics and control scoping calculations

    International Nuclear Information System (INIS)

    Washington, K.E.

    1986-05-01

    The objective of this research is to develop a model that offers an alternative to the point kinetics (PK) modelling approach in the analysis of space reactor kinetics and control studies. Modelling effort will focus on the explicit treatment of control drums as reactivity input devices so that the transition to automatic control can be smoothly done. The proposed model is developed for the specific integration of automatic control and the solution of the servo mechanism problem. The integration of the kinetics model with an automatic controller will provide a useful tool for performing space reactor scoping studies for different designs and configurations. Such a tool should prove to be invaluable in the design phase of a space nuclear system from the point of view of kinetics and control limitations

  12. Expanded Large-Scale Forcing Properties Derived from the Multiscale Data Assimilation System and Its Application to Single-Column Models

    Science.gov (United States)

    Feng, S.; Li, Z.; Liu, Y.; Lin, W.; Toto, T.; Vogelmann, A. M.; Fridlind, A. M.

    2013-12-01

    We present an approach to derive large-scale forcing that is used to drive single-column models (SCMs) and cloud resolving models (CRMs)/large eddy simulation (LES) for evaluating fast physics parameterizations in climate models. The forcing fields are derived by use of a newly developed multi-scale data assimilation (MS-DA) system. This DA system is developed on top of the NCEP Gridpoint Statistical Interpolation (GSI) System and is implemented in the Weather Research and Forecasting (WRF) model at a cloud resolving resolution of 2 km. This approach has been applied to the generation of large scale forcing for a set of Intensive Operation Periods (IOPs) over the Atmospheric Radiation Measurement (ARM) Climate Research Facility's Southern Great Plains (SGP) site. The dense ARM in-situ observations and high-resolution satellite data effectively constrain the WRF model. The evaluation shows that the derived forcing displays accuracies comparable to the existing continuous forcing product and, overall, a better dynamic consistency with observed cloud and precipitation. One important application of this approach is to derive large-scale hydrometeor forcing and multiscale forcing, which is not provided in the existing continuous forcing product. It is shown that the hydrometeor forcing poses an appreciable impact on cloud and precipitation fields in the single-column model simulations. The large-scale forcing exhibits a significant dependency on domain-size that represents SCM grid-sizes. Subgrid processes often contribute a significant component to the large-scale forcing, and this contribution is sensitive to the grid-size and cloud-regime.

  13. A kinetic model for the first stage of pygas upgrading

    Directory of Open Access Journals (Sweden)

    J. L. de Medeiros

    2007-03-01

    Full Text Available Pyrolysis gasoline - PYGAS - is an intermediate boiling product of naphtha steam cracking with a high octane number and high aromatic/unsaturated contents. Due to stabilization concerns, PYGAS must be hydrotreated in two stages. The first stage uses a mild trickle-bed conversion for removing extremely reactive species (styrene, dienes and olefins prior to the more severe second stage where sulfured and remaining olefins are hydrogenated in gas phase. This work addresses the reaction network and two-phase kinetic model for the first stage of PYGAS upgrading. Nonlinear estimation was used for model tuning with kinetic data obtained in bench-scale trickle-bed hydrogenation with a commercial Pd/Al2O3 catalyst. On-line sampling experiments were designed to study the influence of variables - temperature and spatial velocity - on the conversion of styrene, dienes and olefins.

  14. The string unification of gauge couplings and gauge kinetic mixings

    International Nuclear Information System (INIS)

    Hattori, Chuichiro; Matsuda, Masahisa; Matsuoka, Takeo; Mochinaga, Daizo.

    1993-01-01

    In the superstring models we have not only the complete 27 multiplets of E 6 but also extra incomplete (27+27-bar) chiral supermultiplets being alive at low energies. Associated with these additional multiplets, when the gauge symmetry contains more than one U(1) gauge group, there may exist gauge kinetic mixings among these U(1) gauge groups. In such cases the effect of gauge kinetic mixings should be incorporated into the study of unification of gauge couplings. We study these interesting effects systematically in these models. The string threshold effect is also taken into account. It is found that in the four-generation models we do not have an advisable solution of string unification of gauge couplings consistent with experimental values at the electroweak scale. We also discuss the possible scenarios to solve this problem. (author)

  15. LLNL Chemical Kinetics Modeling Group

    Energy Technology Data Exchange (ETDEWEB)

    Pitz, W J; Westbrook, C K; Mehl, M; Herbinet, O; Curran, H J; Silke, E J

    2008-09-24

    The LLNL chemical kinetics modeling group has been responsible for much progress in the development of chemical kinetic models for practical fuels. The group began its work in the early 1970s, developing chemical kinetic models for methane, ethane, ethanol and halogenated inhibitors. Most recently, it has been developing chemical kinetic models for large n-alkanes, cycloalkanes, hexenes, and large methyl esters. These component models are needed to represent gasoline, diesel, jet, and oil-sand-derived fuels.

  16. Kinetic Behavior of Exchange-Driven Growth with Catalyzed-Birth Processes

    Science.gov (United States)

    Wang, Hai-Feng; Lin, Zhen-Quan; Kong, Xiang-Mu

    2006-12-01

    Two catalyzed-birth models of n-species (n>=2) aggregates with exchange-driven growth processes are proposed and compared. In the first one, the exchange reaction occurs between any two aggregates Amk and Amj of the same species with the rate kernels Km(k,j) = Kmkj (m = 1,2,...,n, n>=2), and aggregates of An species catalyze a monomer-birth of Al species (l = 1,2,...,n-1) with the catalysis rate kernel Jl(k,j) = Jlkjυ. The kinetic behaviors are investigated by means of the mean-field theory. We find that the evolution behavior of aggregate-size distribution alk(t) of Al species depends crucially on the value of the catalysis rate parameter υ: (i) alk(t) obeys the conventional scaling law in the case of υ0. In the second model, the mechanism of monomer-birth of An-species catalyzed by Al species is added on the basis of the first model, that is, the aggregates of Al and An species catalyze each other to cause monomer-birth. The kinetic behaviors of Al and An species are found to fall into two categories for the different υ: (i) growth obeying conventional scaling form with υ0.

  17. Flow chemistry kinetic studies reveal reaction conditions for ready access to unsymmetrical trehalose analogues.

    Science.gov (United States)

    Patel, Mitul K; Davis, Benjamin G

    2010-10-07

    Monofunctionalization of trehalose, a widely-found symmetric plant disaccharide, was studied in a microreactor to give valuable kinetic insights that have allowed improvements in desymmetrization yields and the development of a reaction sequence for large scale monofunctionalizations that allow access to probes of trehalose's biological function.

  18. Kinetic Energy from Supernova Feedback in High-resolution Galaxy Simulations

    Science.gov (United States)

    Simpson, Christine M.; Bryan, Greg L.; Hummels, Cameron; Ostriker, Jeremiah P.

    2015-08-01

    We describe a new method for adding a prescribed amount of kinetic energy to simulated gas modeled on a cartesian grid by directly altering grid cells’ mass and velocity in a distributed fashion. The method is explored in the context of supernova (SN) feedback in high-resolution (˜10 pc) hydrodynamic simulations of galaxy formation. Resolution dependence is a primary consideration in our application of the method, and simulations of isolated explosions (performed at different resolutions) motivate a resolution-dependent scaling for the injected fraction of kinetic energy that we apply in cosmological simulations of a 109 M⊙ dwarf halo. We find that in high-density media (≳50 cm-3) with coarse resolution (≳4 pc per cell), results are sensitive to the initial kinetic energy fraction due to early and rapid cooling. In our galaxy simulations, the deposition of small amounts of SN energy in kinetic form (as little as 1%) has a dramatic impact on the evolution of the system, resulting in an order-of-magnitude suppression of stellar mass. The overall behavior of the galaxy in the two highest resolution simulations we perform appears to converge. We discuss the resulting distribution of stellar metallicities, an observable sensitive to galactic wind properties, and find that while the new method demonstrates increased agreement with observed systems, significant discrepancies remain, likely due to simplistic assumptions that neglect contributions from SNe Ia and stellar winds.

  19. Kinetics of catalyzed hydrolysis of 4-methylumbelliferyl caprylate (MUCAP) salmonella reagent

    Science.gov (United States)

    Al-Kady, Ahmed S.; Ahmed, El-Sadat I.; Gaber, M.; Hussein, Mohamed M.; Ebeid, El-Zeiny M.

    2011-09-01

    The kinetics of chemical hydrolysis including neutral, acid- and base-catalyzed hydrolysis of 4-methylumbelliferyl caprylate (MUCAP) salmonella reagent were studied at different temperatures. The rate constants and activation parameters were determined by following the build-up of fluorescence peak of the hydrolysis product 4-methylumbelliferone (4-MU). The time scale of esterase enzyme hydrolysis caused by salmonella was compared with chemical hydrolysis as a background process.

  20. Modeling the homogenization kinetics of as-cast U-10wt% Mo alloys

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Zhijie, E-mail: zhijie.xu@pnnl.gov [Computational Mathematics Group, Pacific Northwest National Laboratory, Richland, WA 99352 (United States); Joshi, Vineet [Energy Processes & Materials Division, Pacific Northwest National Laboratory, Richland, WA 99352 (United States); Hu, Shenyang [Reactor Materials & Mechanical Design, Pacific Northwest National Laboratory, Richland, WA 99352 (United States); Paxton, Dean [Nuclear Engineering and Analysis Group, Pacific Northwest National Laboratory, Richland, WA 99352 (United States); Lavender, Curt [Energy Processes & Materials Division, Pacific Northwest National Laboratory, Richland, WA 99352 (United States); Burkes, Douglas [Nuclear Engineering and Analysis Group, Pacific Northwest National Laboratory, Richland, WA 99352 (United States)

    2016-04-01

    Low-enriched U-22at% Mo (U–10Mo) alloy has been considered as an alternative material to replace the highly enriched fuels in research reactors. For the U–10Mo to work effectively and replace the existing fuel material, a thorough understanding of the microstructure development from as-cast to the final formed structure is required. The as-cast microstructure typically resembles an inhomogeneous microstructure with regions containing molybdenum-rich and -lean regions, which may affect the processing and possibly the in-reactor performance. This as-cast structure must be homogenized by thermal treatment to produce a uniform Mo distribution. The development of a modeling capability will improve the understanding of the effect of initial microstructures on the Mo homogenization kinetics. In the current work, we investigated the effect of as-cast microstructure on the homogenization kinetics. The kinetics of the homogenization was modeled based on a rigorous algorithm that relates the line scan data of Mo concentration to the gray scale in energy dispersive spectroscopy images, which was used to generate a reconstructed Mo concentration map. The map was then used as realistic microstructure input for physics-based homogenization models, where the entire homogenization kinetics can be simulated and validated against the available experiment data at different homogenization times and temperatures.

  1. Nitric oxide kinetics in the afterglow of a diffuse plasma filament

    Science.gov (United States)

    Burnette, D.; Montello, A.; Adamovich, I. V.; Lempert, W. R.

    2014-08-01

    A suite of laser diagnostics is used to study kinetics of vibrational energy transfer and plasma chemical reactions in a nanosecond pulse, diffuse filament electric discharge and afterglow in N2 and dry air at 100 Torr. Laser-induced fluorescence of NO and two-photon absorption laser-induced fluorescence of O and N atoms are used to measure absolute, time-resolved number densities of these species after the discharge pulse, and picosecond coherent anti-Stokes Raman spectroscopy is used to measure time-resolved rotational temperature and ground electronic state N2(v = 0-4) vibrational level populations. The plasma filament diameter, determined from plasma emission and NO planar laser-induced fluorescence images, remains nearly constant after the discharge pulse, over a few hundred microseconds, and does not exhibit expansion on microsecond time scale. Peak temperature in the discharge and the afterglow is low, T ≈ 370 K, in spite of significant vibrational nonequilibrium, with peak N2 vibrational temperature of Tv ≈ 2000 K. Significant vibrational temperature rise in the afterglow is likely caused by the downward N2-N2 vibration-vibration (V-V) energy transfer. Simple kinetic modeling of time-resolved N, O, and NO number densities in the afterglow, on the time scale longer compared to relaxation and quenching time of excited species generated in the plasma, is in good agreement with the data. In nitrogen, the N atom density after the discharge pulse is controlled by three-body recombination and radial diffusion. In air, N, NO and O concentrations are dominated by the reverse Zel'dovich reaction, N + NO → N2 + O, and ozone formation reaction, O + O2 + M → O3 + M, respectively. The effect of vibrationally excited nitrogen molecules and excited N atoms on NO formation kinetics is estimated to be negligible. The results suggest that NO formation in the nanosecond pulse discharge is dominated by reactions of excited electronic states of nitrogen, occurring on

  2. Fragmentation and mean kinetic energy release of the nitrogen molecule

    International Nuclear Information System (INIS)

    Santos, A.C.F.; Melo, W.S.; Sant'Anna, M.M.; Sigaud, G.M.; Montenegro, E.C.

    2007-01-01

    Ionization and fragmentation of the N 2 molecule in coincidence with the final projectile charge state have been measured for the impact of 0.188-0.875 MeV/amu He + projectiles. The average kinetic energy release (KER) of the target ionic fragments is derived from the peak widths of their time-of-flight distributions. It is shown that the KER's for singly-charged products follow scaling laws irrespectively to the collision channel

  3. Vortex lattice melting, pinning and kinetics

    International Nuclear Information System (INIS)

    Doniach, S.; Ryu, S.; Kapitulnik, A.

    1994-01-01

    The phenomenology of the high T c superconductors is discussed both at the level of the thermodynamics of melting of the Abrikosov flux lattice and in terms of the melting and kinetics of the flux lattice for a pinned system. The authors review results on 3D melting obtained by a Monte Carlo simulation approach in which the 2D open-quotes pancakeclose quotes vortices are treated as statistical variables. The authors discuss pinning in the context of the strong pinning regime in which the vortex density given in terms of the applied field B is small compared to that represented by an effective field B pin measuring the pinning center density. The authors introduce a new criterion for the unfreezing of a vortex glass on increase of magnetic field or temperature, in the strong pinning, small field unit. The authors model this limit in terms of a single flux line interacting with a columnar pin. This model is studied both analytically and by computer simulation. By applying a tilt potential, the authors study the kinetics of the vortex motion in an external current and show that the resulting current-voltage characteristic follows a basic vortex glass-like scaling relation in the vicinity of the depinning transition

  4. Kinetics and hybrid kinetic-fluid models for nonequilibrium gas and plasmas

    International Nuclear Information System (INIS)

    Crouseilles, N.

    2004-12-01

    For a few decades, the application of the physics of plasmas has appeared in different fields like laser-matter interaction, astrophysics or thermonuclear fusion. In this thesis, we are interested in the modeling and the numerical study of nonequilibrium gas and plasmas. To describe such systems, two ways are usually used: the fluid description and the kinetic description. When we study a nonequilibrium system, fluid models are not sufficient and a kinetic description have to be used. However, solving a kinetic model requires the discretization of a large number of variables, which is quite expensive from a numerical point of view. The aim of this work is to propose a hybrid kinetic-fluid model thanks to a domain decomposition method in the velocity space. The derivation of the hybrid model is done in two different contexts: the rarefied gas context and the more complicated plasmas context. The derivation partly relies on Levermore's entropy minimization approach. The so-obtained model is then discretized and validated on various numerical test cases. In a second stage, a numerical study of a fully kinetic model is presented. A collisional plasma constituted of electrons and ions is considered through the Vlasov-Poisson-Fokker-Planck-Landau equation. Then, a numerical scheme which preserves total mass and total energy is presented. This discretization permits in particular a numerical study of the Landau damping. (author)

  5. Kinetic Behavior of Exchange-Driven Growth with Catalyzed-Birth Processes

    International Nuclear Information System (INIS)

    Wang Haifeng; Lin Zhenquan; Kong Xiangmu

    2006-01-01

    Two catalyzed-birth models of n-species (n≥2) aggregates with exchange-driven growth processes are proposed and compared. In the first one, the exchange reaction occurs between any two aggregates A m k and A m j of the same species with the rate kernels K m (k,j) = K m kj (m = 1,2,...,n, n≥2), and aggregates of A n species catalyze a monomer-birth of A l species (l = 1,2,...,n-1) with the catalysis rate kernel J l (k,j) = J l kj υ . The kinetic behaviors are investigated by means of the mean-field theory. We find that the evolution behavior of aggregate-size distribution a l k (t) of A l species depends crucially on the value of the catalysis rate parameter υ: (i) a l k (t) obeys the conventional scaling law in the case of υ≤0, (ii) a l k (t) satisfies a modified scaling form in the case of υ>0. In the second model, the mechanism of monomer-birth of A n -species catalyzed by A l species is added on the basis of the first model, that is, the aggregates of A l and A n species catalyze each other to cause monomer-birth. The kinetic behaviors of A l and A n species are found to fall into two categories for the different υ: (i) growth obeying conventional scaling form with υ≤0, (ii) gelling at finite time with υ>0.

  6. Generic analysis of kinetically driven inflation

    Science.gov (United States)

    Saitou, Rio

    2018-04-01

    We perform a model-independent analysis of kinetically driven inflation (KDI) which (partially) includes generalized G-inflation and ghost inflation. We evaluate the background evolution splitting into the inflationary attractor and the perturbation around it. We also consider the quantum fluctuation of the scalar mode with a usual scaling and derive the spectral index, ignoring the contribution from the second-order products of slow-roll parameters. Using these formalisms, we find that within our generic framework the models of KDI which possess the shift symmetry of scalar field cannot create the quantum fluctuation consistent with the observation. Breaking the shift symmetry, we obtain a few essential conditions for viable models of KDI associated with the graceful exit.

  7. Muscular Oxygen Uptake Kinetics in Aged Adults.

    Science.gov (United States)

    Koschate, J; Drescher, U; Baum, K; Eichberg, S; Schiffer, T; Latsch, J; Brixius, K; Hoffmann, U

    2016-06-01

    Pulmonary oxygen uptake (V˙O2) kinetics and heart rate kinetics are influenced by age and fitness. Muscular V˙O2 kinetics can be estimated from heart rate and pulmonary V˙O2. In this study the applicability of a test using pseudo-random binary sequences in combination with a model to estimate muscular V˙O2 kinetics was tested. Muscular V˙O2 kinetics were expected to be faster than pulmonary V˙O2 kinetics, slowed in aged subjects and correlated with maximum V˙O2 and heart rate kinetics. 27 elderly subjects (73±3 years; 81.1±8.2 kg; 175±4.7 cm) participated. Cardiorespiratory kinetics were assessed using the maximum of cross-correlation functions, higher maxima implying faster kinetics. Muscular V˙O2 kinetics were faster than pulmonary V˙O2 kinetics (0.31±0.1 vs. 0.29±0.1 s; p=0.004). Heart rate kinetics were not correlated with muscular or pulmonary V˙O2 kinetics or maximum V˙O2. Muscular V˙O2 kinetics correlated with maximum V˙O2 (r=0.35; p=0.033). This suggests, that muscular V˙O2 kinetics are faster than estimates from pulmonary V˙O2 and related to maximum V˙O2 in aged subjects. In the future this experimental approach may help to characterize alterations in muscular V˙O2 under various conditions independent of motivation and maximal effort. © Georg Thieme Verlag KG Stuttgart · New York.

  8. A satellite simulator for TRMM PR applied to climate model simulations

    Science.gov (United States)

    Spangehl, T.; Schroeder, M.; Bodas-Salcedo, A.; Hollmann, R.; Riley Dellaripa, E. M.; Schumacher, C.

    2017-12-01

    Climate model simulations have to be compared against observation based datasets in order to assess their skill in representing precipitation characteristics. Here we use a satellite simulator for TRMM PR in order to evaluate simulations performed with MPI-ESM (Earth system model of the Max Planck Institute for Meteorology in Hamburg, Germany) performed within the MiKlip project (https://www.fona-miklip.de/, funded by Federal Ministry of Education and Research in Germany). While classical evaluation methods focus on geophysical parameters such as precipitation amounts, the application of the satellite simulator enables an evaluation in the instrument's parameter space thereby reducing uncertainties on the reference side. The CFMIP Observation Simulator Package (COSP) provides a framework for the application of satellite simulators to climate model simulations. The approach requires the introduction of sub-grid cloud and precipitation variability. Radar reflectivities are obtained by applying Mie theory, with the microphysical assumptions being chosen to match the atmosphere component of MPI-ESM (ECHAM6). The results are found to be sensitive to the methods used to distribute the convective precipitation over the sub-grid boxes. Simple parameterization methods are used to introduce sub-grid variability of convective clouds and precipitation. In order to constrain uncertainties a comprehensive comparison with sub-grid scale convective precipitation variability which is deduced from TRMM PR observations is carried out.

  9. Kinetic study of nucleation and crystal growth during oxalic precipitation in the nuclear industry

    International Nuclear Information System (INIS)

    Andrieu, Murielle

    1999-01-01

    In spite of an extensive use in chemical industry, most of precipitation processes are based on global and empirical knowledge. However, in the recent years, fundamental and phenomenological theories have been developed and they can be used to better understand the mechanisms of precipitation of plutonium IV oxalate, which is a significant stage of the irradiated fuel reprocessing. For this reason, appropriate methods were developed to study nucleation and crystal growth kinetics in a nuclear environment under a wide range of operating conditions. Each phenomena was studied individually in order to reduce the free parameters of the System. This study bears on the oxalates of plutonium and elements which simulate plutonium behaviour during the precipitation, neodymium III and uranium IV. A compact apparatus of a specific construction was used for nucleation measurements in accordance with the Nielsen's method. The state of the mixing was characterised at the reactor scale (macro-mixing) and at molecular scale (micro-mixing). The experimental results for the studied oxalates are in good agreement with the Volmer and Weber's theory. We propose primary nucleation kinetic laws over a wide range of operating conditions (temperature, non-stoichiometric conditions, acidity...). An original method, using a high seed charge, was developed for the determination of crystal growth kinetics, in a batch crystallizer. The crystal growth rate is first order with respect to the supersaturation and the kinetic constant follows an Arrhenius type relation with activation energies of 14, 29 and 36 kJ.mol -1 for respectively neodymium III, uranium IV and plutonium IV oxalates. The overall growth process is surface integration controlled, with a screw dislocation mechanism. [fr

  10. Quantum field kinetics of QCD: Quark-gluon transport theory for light-cone-dominated processes

    International Nuclear Information System (INIS)

    Geiger, K.

    1996-01-01

    A quantum-kinetic formalism is developed to study the dynamical interplay of quantum and statistical-kinetic properties of nonequilibrium multiparton systems produced in high-energy QCD processes. The approach provides the means to follow the quantum dynamics in both space-time and energy-momentum, starting from an arbitrary initial configuration of high-momentum quarks and gluons. Using a generalized functional integral representation and adopting the open-quote open-quote closed-time-path close-quote close-quote Green function techniques, a self-consistent set of equations of motions is obtained: a Ginzburg-Landau equation for a possible color background field, and Dyson-Schwinger equations for the two-point functions of the gluon and quark fields. By exploiting the open-quote open-quote two-scale nature close-quote close-quote of light-cone-dominated QCD processes, i.e., the separation between the quantum scale that specifies the range of short-distance quantum fluctuations, and the kinetic scale that characterizes the range of statistical binary interactions, the quantum field equations of motion are converted into a corresponding set of open-quote open-quote renormalization equations close-quote close-quote and open-quote open-quote transport equations.close-quote close-quote The former describe renormalization and dissipation effects through the evolution of the spectral density of individual, dressed partons, whereas the latter determine the statistical occurrence of scattering processes among these dressed partons. The renormalization equations and the transport equations are coupled, and, hence, must be solved self-consistently. This amounts to evolving the multiparton system, from a specified initial configuration, in time and full seven-dimensional phase space, constrained by the Heisenberg uncertainty principle. (Abstract Truncated)

  11. Invariant relationships deriving from classical scaling transformations

    International Nuclear Information System (INIS)

    Bludman, Sidney; Kennedy, Dallas C.

    2011-01-01

    Because scaling symmetries of the Euler-Lagrange equations are generally not variational symmetries of the action, they do not lead to conservation laws. Instead, an extension of Noether's theorem reduces the equations of motion to evolutionary laws that prove useful, even if the transformations are not symmetries of the equations of motion. In the case of scaling, symmetry leads to a scaling evolutionary law, a first-order equation in terms of scale invariants, linearly relating kinematic and dynamic degrees of freedom. This scaling evolutionary law appears in dynamical and in static systems. Applied to dynamical central-force systems, the scaling evolutionary equation leads to generalized virial laws, which linearly connect the kinetic and potential energies. Applied to barotropic hydrostatic spheres, the scaling evolutionary equation linearly connects the gravitational and internal energy densities. This implies well-known properties of polytropes, describing degenerate stars and chemically homogeneous nondegenerate stellar cores.

  12. pyJac: Analytical Jacobian generator for chemical kinetics

    Science.gov (United States)

    Niemeyer, Kyle E.; Curtis, Nicholas J.; Sung, Chih-Jen

    2017-06-01

    Accurate simulations of combustion phenomena require the use of detailed chemical kinetics in order to capture limit phenomena such as ignition and extinction as well as predict pollutant formation. However, the chemical kinetic models for hydrocarbon fuels of practical interest typically have large numbers of species and reactions and exhibit high levels of mathematical stiffness in the governing differential equations, particularly for larger fuel molecules. In order to integrate the stiff equations governing chemical kinetics, generally reactive-flow simulations rely on implicit algorithms that require frequent Jacobian matrix evaluations. Some in situ and a posteriori computational diagnostics methods also require accurate Jacobian matrices, including computational singular perturbation and chemical explosive mode analysis. Typically, finite differences numerically approximate these, but for larger chemical kinetic models this poses significant computational demands since the number of chemical source term evaluations scales with the square of species count. Furthermore, existing analytical Jacobian tools do not optimize evaluations or support emerging SIMD processors such as GPUs. Here we introduce pyJac, a Python-based open-source program that generates analytical Jacobian matrices for use in chemical kinetics modeling and analysis. In addition to producing the necessary customized source code for evaluating reaction rates (including all modern reaction rate formulations), the chemical source terms, and the Jacobian matrix, pyJac uses an optimized evaluation order to minimize computational and memory operations. As a demonstration, we first establish the correctness of the Jacobian matrices for kinetic models of hydrogen, methane, ethylene, and isopentanol oxidation (number of species ranging 13-360) by showing agreement within 0.001% of matrices obtained via automatic differentiation. We then demonstrate the performance achievable on CPUs and GPUs using py

  13. Kinetics of a Migration-Driven Aggregation-Fragmentation Process

    Institute of Scientific and Technical Information of China (English)

    ZHUANG You-Yi; LIN Zhen-Quan; KE Jian-Hong

    2003-01-01

    We propose a reversible model of the migration-driven aggregation-fragmentation process with the sym-metric migration rate kernels K(k;j) = K'(k;j) = λkjv and the constant aggregation rates I1, I2 and fragmentationrates J1, J2. Based on the mean-field theory, we investigate the evolution behavior of the aggregate size distributions inseveral cases with different values of index v. We find that the fragmentation reaction plays a more important role in the kinetic behaviors of the system than the aggregation and migration. When J1 = 0 and J2 = 0, the aggregate sizedistributions ak(t) and bk(t) obey the conventional scaling law, while when J1 > 0 and J2 > 0, they obey the modifiedscaling law with an exponential scaling function. The total mass of either species remains conserved.

  14. Adsorption analysis equilibria and kinetics

    CERN Document Server

    Do, Duong D

    1998-01-01

    This book covers topics of equilibria and kinetics of adsorption in porous media. Fundamental equilibria and kinetics are dealt with for homogeneous as well as heterogeneous particles. Five chapters of the book deal with equilibria and eight chapters deal with kinetics. Single component as well as multicomponent systems are discussed. In kinetics analysis, we deal with the various mass transport processes and their interactions inside a porous particle. Conventional approaches as well as the new approach using Maxwell-Stefan equations are presented. Various methods to measure diffusivity, such

  15. Scale-up of microwave assisted flow synthesis by transient processing through monomode cavities in series

    NARCIS (Netherlands)

    Patil, N.G.; Benaskar, F.; Rebrov, E.; Meuldijk, J.; Hulshof, L.A.; Hessel, V.; Schouten, J.C.

    2014-01-01

    A new scale-up concept for microwave assisted flow processing is presented where modular scale-up is achieved by implementing microwave cavities in series. The scale-up concept is demonstrated for case studies of a packed-bed reactor and a wall-coated tubular reactor. With known kinetics and

  16. Kinetics of excited levels in copper-vapor laser

    International Nuclear Information System (INIS)

    Smilanski, I.

    1981-10-01

    A full and representative description of the excited copper level kinetics in a copper-vapor laser is presented. The research was carried out in three stages. The first stage was the development of a representative and reliable measurement cell. A laser tube constructed of refractory materials and an excitation circuit which provides short pulses at a high repetition rate to heat the tube and excite the copper atoms were developed. This stage was also dedicated to characterizing the laser and studying its scaling laws. In the second stage a rapid neasuring system which avoids the problem of spectral line shape was developed. The system is based on the 'hook' method, which utilizes the anomalous dispersion in the vicinity of an atomic line. The light source, a wide band nitrogen-laser-pumped dye laser, ensures a short sampling time, and the recording system, with a television camera face as the recording medium, allows precise data reduction. In the third stage the excited copper level kinetics in a copper vapor laser is measured. The principal conclusions, that only a small part of the energy in the discharge is utilized to populate the upper laser levels and that the lower laser level population is very large at the end of the excitation pulse and cannot be attributed to relaxation of the upper levels, necessitate a new kinetic description of the copper-vapor laser. The laser is not self-terminating; it is activated and terminated by the electrical discharge

  17. A simple way to improve AGN feedback prescription in SPH simulations

    Science.gov (United States)

    Zubovas, Kastytis; Bourne, Martin A.; Nayakshin, Sergei

    2016-03-01

    Active galactic nuclei (AGN) feedback is an important ingredient in galaxy evolution, however its treatment in numerical simulations is necessarily approximate, requiring subgrid prescriptions due to the dynamical range involved in the calculations. We present a suite of smoothed particle hydrodynamics simulations designed to showcase the importance of the choice of a particular subgrid prescription for AGN feedback. We concentrate on two approaches to treating wide-angle AGN outflows: thermal feedback, where thermal and kinetic energy is injected into the gas surrounding the supermassive black hole (SMBH) particle, and virtual particle feedback, where energy is carried by tracer particles radially away from the AGN. We show that the latter model produces a far more complex structure around the SMBH, which we argue is a more physically correct outcome. We suggest a simple improvement to the thermal feedback model - injecting the energy into a cone, rather than spherically symmetrically - and show that this markedly improves the agreement between the two prescriptions, without requiring any noticeable increase in the computational cost of the simulation.

  18. Uranium, neptunium and plutonium kinetics of extraction by tributylphosphate and trilaurylamine in a centrifugal contactor

    International Nuclear Information System (INIS)

    Bergeonneau, P.; Jaouen, C.; Germain, M.; Bathellier, A.

    1977-01-01

    Uranium, plutonium and neptunium kinetics of transfer between various aqueous nitric solutions and solvents have been measured at the laboratory scale, using a centrifugal contactor especially developed in the laboratory. The transfer kinetics of nitric acid, hexavalent U, tetravalent U, Np and Pu from nitric acid solutions into 30% TBP in r-dodecane and 10% trilaurylamine in r-dodecane have been studied. The effects of rotation speed, temperature, initial nitric acid concentration, metal concentration on extraction and stripping kinetics have been investigated. The results obtained show that TBP extraction and stripping are more rapid than trilaurylamine ones. The low activation energies of transfer reactions with TBP suggest that both in extraction and stripping, the transfer rate is limited by the diffusion of the species in the aqueous and organic phases. For trilaurylamine, the transfer mechanism appears more complex

  19. Comparing the Effect of Open and Closed Kinetic Chain Exercises in Patients Suffering From Patellofemoral Pain Syndrome

    Directory of Open Access Journals (Sweden)

    Zahra Firoozkoohi Moghadam

    2016-11-01

    Full Text Available Introduction: Patellofemoral pain syndrome is one of the most prevalent problems in physically active people. The syndrome is a multifactorial disorder with different therapeutic approaches. Conservative treatment of the syndrome has been a crucial matter in different studies. Quadriceps muscle strengthening exercise is a recommended approach which is performed in forms of open and closed kinetic chain exercises. This study was designed to compare the efficacy of these exercises on this syndrome. Methods: Totally 30 women suffering from the syndrome aged 30-40 were randomly allocated into three groups: open, and closed kinetic chain exercises, and control group, as groups A, B, and C, respectively. Groups A and B participated in 28 sessions of exercises in a period of four weeks and group C did not do any exercise in this period. Before and after the period, pain and function of the participants were assessed using visual analog scale (VAS and Kujala patellofemoral scale, respectively. Data were analyzed using independent t test, dependent t test, and univariate variance analysis, while significance of data was determined at P < 0.05. Results: The study indicated that open kinetic chain exercises (group A for 4 weeks brought significant changes in relieving the pain along with improving the function (P = 0.001. Likewise, it was revealed a significant pain relief as well as function improvement in group B (P = 0.001. Comparing two groups illustrated that benefits of open kinetic chain exercises outweigh closed ones (P = 0.001. Conclusion: Overall, both exercises were efficient in relieving pain as well as improving function, however open kinetic chain exercises were more contributory.

  20. The influence of layering and barometric pumping on firn air transport in a 2-D model

    Directory of Open Access Journals (Sweden)

    B. Birner

    2018-06-01

    Full Text Available Ancient air trapped in ice core bubbles has been paramount to developing our understanding of past climate and atmospheric composition. Before air bubbles become isolated in ice, the atmospheric signal is altered in the firn column by transport processes such as advection and diffusion. However, the influence of low-permeability layers and barometric pumping (driven by surface pressure variability on firn air transport is not well understood and is not readily captured in conventional one-dimensional (1-D firn air models. Here we present a two-dimensional (2-D trace gas advection–diffusion–dispersion model that accounts for discontinuous horizontal layers of reduced permeability. We find that layering or barometric pumping individually yields too small a reduction in gravitational settling to match observations. In contrast, when both effects are active, the model's gravitational fractionation is suppressed as observed. Layering focuses airflows in certain regions in the 2-D model, which acts to amplify the dispersive mixing resulting from barometric pumping. Hence, the representation of both factors is needed to obtain a realistic emergence of the lock-in zone. In contrast to expectations, we find that the addition of barometric pumping in the layered 2-D model does not substantially change the differential kinetic fractionation of fast- and slow-diffusing trace gases. Like 1-D models, the 2-D model substantially underestimates the amount of differential kinetic fractionation seen in actual observations, suggesting that further subgrid-scale processes may be missing in the current generation of firn air transport models. However, we find robust scaling relationships between kinetic isotope fractionation of different noble gas isotope and elemental ratios. These relationships may be used to correct for kinetic fractionation in future high-precision ice core studies and can amount to a bias of up to 0.45 °C in noble-gas-based mean ocean