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
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
Subgrid-scale turbulence in shock-boundary layer flows
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.
Statistical dynamical subgrid-scale parameterizations for geophysical flows
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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.
Subgrid-scale models for large-eddy simulation of rotating turbulent channel flows
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.
Dynamic subgrid scale model of large eddy simulation of cross bundle flows
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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
Large-eddy simulation with accurate implicit subgrid-scale diffusion
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
A priori study of subgrid-scale flux of a passive scalar in isotropic homogeneous turbulence
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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.
A priori study of subgrid-scale flux of a passive scalar in isotropic homogeneous turbulence.
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.
A Lagrangian dynamic subgrid-scale model turbulence
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.
Modeling Subgrid Scale Droplet Deposition in Multiphase-CFD
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.
Study of subgrid-scale velocity models for reacting and nonreacting flows
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.
Quadratic inner element subgrid scale discretisation of the Boltzmann transport equation
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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.
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.
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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.
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.
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
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.
Subgrid-scale stresses and scalar fluxes constructed by the multi-scale turnover Lagrangian map
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
A priori study of subgrid-scale features in turbulent Rayleigh-Bénard convection
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
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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
A simple dynamic subgrid-scale model for LES of particle-laden turbulence
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.
Simulations of mixing in Inertial Confinement Fusion with front tracking and sub-grid scale models
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.
Large eddy simulation of new subgrid scale model for three-dimensional bundle flows
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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)
A dynamic global-coefficient mixed subgrid-scale model for large-eddy simulation of turbulent flows
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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
Sensitivity test of parameterizations of subgrid-scale orographic form drag in the NCAR CESM1
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.
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.
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.
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.
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.
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)
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)
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
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.
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.
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
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.
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
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
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.
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.
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.
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
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
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.
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.
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.
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
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.
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
Analysis and modeling of subgrid scalar mixing using numerical data
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.
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.
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
Recursive renormalization group theory based subgrid modeling
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.
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.
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
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.
Birefringent dispersive FDTD subgridding scheme
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.
High-resolution subgrid models: background, grid generation, and implementation
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.
Extracellular enzyme kinetics scale with resource availability
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.
Vlasov simulations of Kinetic Alfven Waves at proton kinetic scales
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
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.
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.
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.
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.
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
On the Representation of Subgrid Microtopography Effects in Process-based Hydrologic Models
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
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.
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.
Microsecond time-scale kinetics of transient biochemical reactions
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
A new subgrid characteristic length for turbulence simulations on anisotropic grids
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.
Receptivity to Kinetic Fluctuations: A Multiple Scales Approach
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.
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
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
Baker, I. T.; Prihodko, L.; Vivoni, E. R.; Denning, A. S.
2017-12-01
Arid and semiarid regions represent a large fraction of global land, with attendant importance of surface energy and trace gas flux to global totals. These regions are characterized by strong seasonality, especially in precipitation, that defines the level of ecosystem stress. Individual plants have been observed to respond non-linearly to increasing soil moisture stress, where plant function is generally maintained as soils dry down to a threshold at which rapid closure of stomates occurs. Incorporating this nonlinear mechanism into landscape-scale models can result in unrealistic binary "on-off" behavior that is especially problematic in arid landscapes. Subsequently, models have `relaxed' their simulation of soil moisture stress on evapotranspiration (ET). Unfortunately, these relaxations are not physically based, but are imposed upon model physics as a means to force a more realistic response. Previously, we have introduced a new method to represent soil moisture regulation of ET, whereby the landscape is partitioned into `BINS' of soil moisture wetness, each associated with a fractional area of the landscape or grid cell. A physically- and observationally-based nonlinear soil moisture stress function is applied, but when convolved with the relative area distribution represented by wetness BINS the system has the emergent property of `smoothing' the landscape-scale response without the need for non-physical impositions on model physics. In this research we confront BINS simulations of Bowen ratio, soil moisture variability and trace gas flux with soil moisture and eddy covariance observations taken at the Jornada LTER dryland site in southern New Mexico. We calculate the mean annual wetting cycle and associated variability about the mean state and evaluate model performance against this variability and time series of land surface fluxes from the highly instrumented Tromble Weir watershed. The BINS simulations capture the relatively rapid reaction to wetting
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.
Energy partitioning constraints at kinetic scales in low-β turbulence
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.
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.
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.
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)
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.)
Unsteady Flame Embedding (UFE) Subgrid Model for Turbulent Premixed Combustion Simulations
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.
Discontinuous Galerkin Subgrid Finite Element Method for Heterogeneous Brinkman’s Equations
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.
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...
Growth kinetics and scale-up of Agrobacterium tumefaciens.
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.
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.
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.
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.
Discretized kinetic theory on scale-free networks
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.
Revisiting the density scaling of the non-interacting kinetic energy.
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.
Multi-Spacecraft Study of Kinetic scale Turbulence Using MMS Observations in the Solar Wind
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.
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
Sub-Grid Modeling of Electrokinetic Effects in Micro Flows
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
Physical time scale in kinetic Monte Carlo simulations of continuous-time Markov chains.
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.
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
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.
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.
Systematic Construction of Kinetic Models from Genome-Scale Metabolic Networks
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
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
In Situ Observation of Intermittent Dissipation at Kinetic Scales in the Earth's Magnetosheath
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.
An new MHD/kinetic model for exploring energetic particle production in macro-scale systems
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.
Land use/land cover and scale influences on in-stream nitrogen uptake kinetics
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.
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
Kinetic-Scale Magnetic Turbulence and Finite Larmor Radius Effects at Mercury
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.
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)
Ontogenetic scaling of locomotor kinetics and kinematics of the ostrich (Struthio camelus).
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.
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...
Multi-scale kinetic description of granular clusters: invariance, balance, and temperature
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.
Weakening Gravity on Redshift-Survey Scales with Kinetic Matter Mixing
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...
Kinetic study on the effect of temperature on biogas production using a lab scale batch reactor.
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.
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.
Active mechanics in living oocytes reveal molecular-scale force kinetics
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.
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
Ozonation kinetics of winery wastewater in a pilot-scale bubble column reactor.
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.
The Role of Kinetic Alfven Waves in Plasma Transport in an Ion-scale Flux Rope
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.
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.
Development of dynamic kinetic resolution on large scale for (±)-1-phenylethylamine.
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.
Beam tracking strategies for studies of kinetic scales in the solar wind with THOR-CSW
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.
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)
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...
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)
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
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
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.
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.
Subgrid Modeling of AGN-driven Turbulence in Galaxy Clusters
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.
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).
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...
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
Large-scale kinetic energy spectra from Eulerian analysis of EOLE wind data
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.
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.
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.
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.
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.
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.
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.
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
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
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
Challenges of Representing Sub-Grid Physics in an Adaptive Mesh Refinement Atmospheric Model
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.
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.
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.
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.
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
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.
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.
Modeling of scale-dependent bacterial growth by chemical kinetics approach.
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.
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.
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.
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.
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
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.
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
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.
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.
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.
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.
On the TFNS Subgrid Models for Liquid-Fueled Turbulent Combustion
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.
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.
Solar Plasma Radio Emission in the Presence of Imbalanced Turbulence of Kinetic-Scale Alfvén Waves
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.
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...
International Nuclear Information System (INIS)
Rodriguez Chaparro, Tatiana; Perez Navarrete, Eddie Albert; Vivas Mora, Eneydi
2003-01-01
The activated sludge process is the one of the most efficient process, when it comes to removal of organic matter. Implementing in the lab is quite easy, economic technically feasible, and simultaneously offers the possibility of using the results obtained in the lab to be applied in field by determining the kinetic and stoichiometric constants. The activated sludge system was designed, built and operated in the water quality lab, at the Military University in Bogota, Colombia. The bioreactor has an aeration chamber, a sedimentation tank and a feeding source with wastewater taken from a meat packing plant in Bogota. The research was carried out for 3 months, in two stages as follows: in the first stage and in order to obtain a high concentration of biomass the acclimatizing process was carried out. This step allows the bioreactor to run in a continuous flow. In the second stage, the bioreactor was taken in to operation and fed with the acclimated sludge at different sludge ages. This would allow us to determine the kinetics, and the stoichiometric constants. The bioreactor was run with a hydraulic retention time of 8 hours and for different sludge ages (5, 10, and 15 days). The system was monitored with a daily grab samples, and pH, temperature as well as the DBO 5 and suspended volatile solids were terminated
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.
Energy Technology Data Exchange (ETDEWEB)
Andy Miller
2009-01-25
Environmental systems exhibit a range of complexities which exist at a range of length and mass scales. Within the realm of radionuclide fate and transport, much work has been focused on understanding pore scale processes where complexity can be reduced to a simplified system. In describing larger scale behavior, the results from these simplified systems must be combined to create a theory of the whole. This process can be quite complex, and lead to models which lack transparency. The underlying assumption of this approach is that complex systems will exhibit complex behavior, requiring a complex system of equations to describe behavior. This assumption has never been tested. The goal of the experiments presented is to ask the question: Do increasingly complex systems show increasingly complex behavior? Three experimental tanks at the intermediate scale (Tank 1: 2.4m x 1.2m x 7.6cm, Tank 2: 2.4m x 0.61m x 7.6cm, Tank 3: 2.4m x 0.61m x 0.61m (LxHxW)) have been completed. These tanks were packed with various physical orientations of different particle sizes of a uranium contaminated sediment from a former uranium mill near Naturita, Colorado. Steady state water flow was induced across the tanks using constant head boundaries. Pore water was removed from within the flow domain through sampling ports/wells; effluent samples were also taken. Each sample was analyzed for a variety of analytes relating to the solubility and transport of uranium. Flow fields were characterized using inert tracers and direct measurements of pressure head. The results show that although there is a wide range of chemical variability within the flow domain of the tank, the effluent uranium behavior is simple enough to be described using a variety of conceptual models. Thus, although there is a wide range in variability caused by pore scale behaviors, these behaviors appear to be smoothed out as uranium is transported through the tank. This smoothing of uranium transport behavior transcends
Kinetic model for torrefaction of wood chips in a pilot-scale continuous reactor
DEFF Research Database (Denmark)
Shang, Lei; Ahrenfeldt, Jesper; Holm, Jens Kai
2014-01-01
accordance with the model data. In an additional step a continuous, pilot scale reactor was built to produce torrefied wood chips in large quantities. The "two-step reaction in series" model was applied to predict the mass yield of the torrefaction reaction. Parameters used for the calculation were...... at different torrefaction temperatures, it was possible to predict the HHV of torrefied wood chips from the pilot reactor. The results from this study and the presented modeling approach can be used to predict the product quality from pilot scale torrefaction reactors based on small scale experiments and could...
Energy Technology Data Exchange (ETDEWEB)
Bruno, R.; Trenchi, L., E-mail: roberto.bruno@iaps.inaf.it [INAF-IAPS Istituto di Astrofisica e Planetologia Spaziali, Via del Fosso del Cavaliere 100, 00133 Roma (Italy)
2014-06-01
We investigate the radial dependence of the spectral break separating the inertial from the dissipation range in power density spectra of interplanetary magnetic field fluctuations, between 0.42 and 5.3 AU, during radial alignments between MESSENGER and WIND for the inner heliosphere and between WIND and ULYSSES for the outer heliosphere. We found that the spectral break moves to higher and higher frequencies as the heliocentric distance decreases. The radial dependence of the corresponding wavenumber is of the kind κ {sub b} ∼ R {sup –1.08}, in good agreement with that of the wavenumber derived from the linear resonance condition for proton cyclotron damping. These results support conclusions from previous studies which suggest that a cyclotron-resonant dissipation mechanism must participate in the spectral cascade together with other possible kinetic noncyclotron-resonant mechanisms.
Structure of Kinetic Alfvén Waves of Small Transverse Scale
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
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.
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.
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.
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.
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.
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
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.
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.
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
COHERENT EVENTS AND SPECTRAL SHAPE AT ION KINETIC SCALES IN THE FAST SOLAR WIND TURBULENCE
International Nuclear Information System (INIS)
Lion, Sonny; Alexandrova, Olga; Zaslavsky, Arnaud
2016-01-01
In this paper we investigate spectral and phase coherence properties of magnetic fluctuations in the vicinity of the spectral transition from large, magnetohydrodynamic to sub-ion scales using in situ measurements of the Wind spacecraft in a fast stream. For the time interval investigated by Leamon et al. (1998) the phase coherence analysis shows the presence of sporadic quasi-parallel Alfvén ion cyclotron (AIC) waves as well as coherent structures in the form of large-amplitude, quasi-perpendicular Alfvén vortex-like structures and current sheets. These waves and structures importantly contribute to the observed power spectrum of magnetic fluctuations around ion scales; AIC waves contribute to the spectrum in a narrow frequency range whereas the coherent structures contribute to the spectrum over a wide frequency band from the inertial range to the sub-ion frequency range. We conclude that a particular combination of waves and coherent structures determines the spectral shape of the magnetic field spectrum around ion scales. This phenomenon provides a possible explanation for a high variability of the magnetic power spectra around ion scales observed in the solar wind.
COHERENT EVENTS AND SPECTRAL SHAPE AT ION KINETIC SCALES IN THE FAST SOLAR WIND TURBULENCE
Energy Technology Data Exchange (ETDEWEB)
Lion, Sonny; Alexandrova, Olga; Zaslavsky, Arnaud, E-mail: sonny.lion@obspm.fr [LESIA, Observatoire de Paris, PSL Research University, CNRS, Sorbonne Universités, UPMC Univ. Paris 06, Univ. Paris Diderot, Sorbonne Paris Cité (France)
2016-06-10
In this paper we investigate spectral and phase coherence properties of magnetic fluctuations in the vicinity of the spectral transition from large, magnetohydrodynamic to sub-ion scales using in situ measurements of the Wind spacecraft in a fast stream. For the time interval investigated by Leamon et al. (1998) the phase coherence analysis shows the presence of sporadic quasi-parallel Alfvén ion cyclotron (AIC) waves as well as coherent structures in the form of large-amplitude, quasi-perpendicular Alfvén vortex-like structures and current sheets. These waves and structures importantly contribute to the observed power spectrum of magnetic fluctuations around ion scales; AIC waves contribute to the spectrum in a narrow frequency range whereas the coherent structures contribute to the spectrum over a wide frequency band from the inertial range to the sub-ion frequency range. We conclude that a particular combination of waves and coherent structures determines the spectral shape of the magnetic field spectrum around ion scales. This phenomenon provides a possible explanation for a high variability of the magnetic power spectra around ion scales observed in the solar wind.
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.
Automatic control of scale range applied for analog study of reactor kinetics
International Nuclear Information System (INIS)
Sergent, O.; Tellier, N.
1967-01-01
We study the response of a reactor, initially in a sub-critical state, for linear release of reactivity obeying to the following criteria, a rod drop comes in 10 seconds after the moment when the neutron power becomess equal to 10 -3 times the nominal power. We are interested in the maximum reactivity reached and in the energy released during the power excursion. For the power varying in a range from 1 to 10 10 we have used the method of automatic change scale which was installed and described in a previous report [fr
Near-Bed Turbulent Kinetic Energy Budget Under a Large-Scale Plunging Breaking Wave Over a Fixed Bar
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.
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.
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.
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
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
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...
QUANTIFYING SUBGRID POLLUTANT VARIABILITY IN EULERIAN AIR QUALITY MODELS
In order to properly assess human risk due to exposure to hazardous air pollutants or air toxics, detailed information is needed on the location and magnitude of ambient air toxic concentrations. Regional scale Eulerian air quality models are typically limited to relatively coar...
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.
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.
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.
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.
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 ...
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.
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.
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
A practical approach to compute short-wave irradiance interacting with subgrid-scale buildings
Energy Technology Data Exchange (ETDEWEB)
Sievers, Uwe; Frueh, Barbara [Deutscher Wetterdienst, Offenbach am Main (Germany)
2012-08-15
A numerical approach for the calculation of short-wave irradiances at the ground as well as the walls and roofs of buildings in an environment with unresolved built-up is presented. In this radiative parameterization scheme the properties of the unresolved built-up are assigned to settlement types which are characterized by mean values of the volume density of the buildings and their wall area density. Therefore it is named wall area approach. In the vertical direction the range of building heights may be subdivided into several layers. In the case of non-uniform building heights the shadowing of the lower roofs by the taller buildings is taken into account. The method includes the approximate calculation of sky view and sun view factors. For an idealized building arrangement it is shown that the obtained approximate factors are in good agreement with exact calculations just as for the comparison of the calculated and measured effective albedo values. For arrangements with isolated single buildings the presented wall area approach yields a better agreement with the observations than similar methods where the unresolved built-up is characterized by the aspect ratio of a representative street canyon (aspect ratio approach). In the limiting case where the built-up is well represented by an ensemble of idealized street canyons both approaches become equivalent. The presented short-wave radiation scheme is part of the microscale atmospheric model MUKLIMO 3 where it contributes to the calculation of surface temperatures on the basis of energy-flux equilibrium conditions. (orig.)
Filtered Mass Density Function for Subgrid Scale Modeling of Turbulent Diffusion Flames
National Research Council Canada - National Science Library
Givi, Peyman
2002-01-01
.... These equations were solved with a new Lagrangian Monte Carlo scheme. The model predictions were compared with results obtained via conventional LES closures and with direct numerical simulation (DNS...
Vreman, A.W.; Oijen, van J.A.; Goey, de L.P.H.; Bastiaans, R.J.M.
2009-01-01
Large-eddy simulation (LES) of turbulent combustion with premixed flamelets is investigated in this paper. The approach solves the filtered Navier-Stokes equations supplemented with two transport equations, one for the mixture fraction and another for a progress variable. The LES premixed flamelet
Accounting for subgrid scale topographic variations in flood propagation modeling using MODFLOW
DEFF Research Database (Denmark)
Milzow, Christian; Kinzelbach, W.
2010-01-01
To be computationally viable, grid-based spatially distributed hydrological models of large wetlands or floodplains must be set up using relatively large cells (order of hundreds of meters to kilometers). Computational costs are especially high when considering the numerous model runs or model time...
Final Report: Systematic Development of a Subgrid Scaling Framework to Improve Land Simulation
Energy Technology Data Exchange (ETDEWEB)
Dickinson, Robert Earl [Univ. of Texas, Austin, TX (United States)
2016-07-11
We carried out research to development improvements of the land component of climate models and to understand the role of land in climate variability and change. A highlight was the development of a 3D canopy radiation model. More than a dozen publications resulted.
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.
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
Variational Multi-Scale method with spectral approximation of the sub-scales.
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
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.
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.
Reduction kinetics of Wüstite scale on pure iron and steel sheets in Ar and H
Mao, W.; Sloof, W.G.
2017-01-01
A dense and closed Wüstite scale is formed on pure iron and Mn alloyed steel after oxidation in Ar + 33 vol pct CO_{2} + 17 vol pct CO gas mixture. Reducing the Wüstite scale in Ar + H_{2} gas mixture forms a dense and uniform iron layer on top of the remaining Wüstite scale,
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.
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)
Kafle, Gopi Krishna; Kim, Sang Hun; Sung, Kyung Ill
2013-01-01
Fish waste (FW) obtained from a fish processor was ensiled for biogas production. The FW silages were prepared by mixing FW with bread waste (BW) and brewery grain waste (BGW), and the quality of the prepared silages were evaluated. The biogas potentials of BW, BGW, three different types of FW, and FW silages were measured. A first-order kinetic model and the modified Gompertz model were also used to predict methane yield. The biogas and methane yield for FW silages after 96 days was calculated to be 671-763 mL/g VS and 441-482 mL/g VS, respectively. There were smaller differences between measured and predicted methane yield for FW silages when using a modified Gompertz model (1.1-4.3%) than when using a first-order kinetic model (22.5-32.4%). The critical HRTs and technical digestion times (T(80-90)) for the FW silages were calculated to be 21.0-23.8 days and 40.5-52.8 days, respectively. Copyright © 2012 Elsevier Ltd. All rights reserved.
2015-07-06
Geophysical Union, Fall Meeting, San Francisco, CA Li Q, Bou-Zeid E, Anderson W, Grimmond S, 2014: Proc. of American Physical Society, Division of Fluid...the existence of hairpin packets (and “ cane ” structures: inclined coherent par- cel with only one leg of the hairpin[41] around the low momentum...Department. Conference Proceedings : • Anderson W, Li Q, Bou-Zeid E, 2014: Proc. of American Geophysical Union, Fall Meeting, San Francisco, CA. • Anderson
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.
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.
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.
International Nuclear Information System (INIS)
Miller, Andy
2009-01-01
Environmental systems exhibit a range of complexities which exist at a range of length and mass scales. Within the realm of radionuclide fate and transport, much work has been focused on understanding pore scale processes where complexity can be reduced to a simplified system. In describing larger scale behavior, the results from these simplified systems must be combined to create a theory of the whole. This process can be quite complex, and lead to models which lack transparency. The underlying assumption of this approach is that complex systems will exhibit complex behavior, requiring a complex system of equations to describe behavior. This assumption has never been tested. The goal of the experiments presented is to ask the question: Do increasingly complex systems show increasingly complex behavior? Three experimental tanks at the intermediate scale (Tank 1: 2.4m x 1.2m x 7.6cm, Tank 2: 2.4m x 0.61m x 7.6cm, Tank 3: 2.4m x 0.61m x 0.61m (LxHxW)) have been completed. These tanks were packed with various physical orientations of different particle sizes of a uranium contaminated sediment from a former uranium mill near Naturita, Colorado. Steady state water flow was induced across the tanks using constant head boundaries. Pore water was removed from within the flow domain through sampling ports/wells; effluent samples were also taken. Each sample was analyzed for a variety of analytes relating to the solubility and transport of uranium. Flow fields were characterized using inert tracers and direct measurements of pressure head. The results show that although there is a wide range of chemical variability within the flow domain of the tank, the effluent uranium behavior is simple enough to be described using a variety of conceptual models. Thus, although there is a wide range in variability caused by pore scale behaviors, these behaviors appear to be smoothed out as uranium is transported through the tank. This smoothing of uranium transport behavior transcends
Stoliker, Deborah L.; Liu, Chongxuan; Kent, Douglas B.; Zachara, John M.
2013-01-01
Rates of U(VI) release from individual dry-sieved size fractions of a field-aggregated, field-contaminated composite sediment from the seasonally saturated lower vadose zone of the Hanford 300-Area were examined in flow-through reactors to maintain quasi-constant chemical conditions. The principal source of variability in equilibrium U(VI) adsorption properties of the various size fractions was the impact of variable chemistry on adsorption. This source of variability was represented using surface complexation models (SCMs) with different stoichiometric coefficients with respect to hydrogen ion and carbonate concentrations for the different size fractions. A reactive transport model incorporating equilibrium expressions for cation exchange and calcite dissolution, along with rate expressions for aerobic respiration and silica dissolution, described the temporal evolution of solute concentrations observed during the flow-through reactor experiments. Kinetic U(VI) desorption was well described using a multirate SCM with an assumed lognormal distribution for the mass-transfer rate coefficients. The estimated mean and standard deviation of the rate coefficients were the same for all Micropore volumes, assessed using t-plots to analyze N2 desorption data, were also the same for all dry-sieved micropore volumes and mass-transfer rate properties. Pore volumes for dry-sieved size fractions exceeded values for the corresponding wet-sieved fractions. We hypothesize that repeated field wetting and drying cycles lead to the formation of aggregates and/or coatings containing (micro)pore networks which provided an additional mass-transfer resistance over that associated with individual particles. The 2–8 mm fraction exhibited a larger average and standard deviation in the distribution of mass-transfer rate coefficients, possibly caused by the abundance of microporous basaltic rock fragments.
Energy Technology Data Exchange (ETDEWEB)
Abdolali, Atefeh [Centre for Technology in Water and Wastewater, School of Civil and Environmental Engineering, University of Technology Sydney, Broadway, NSW 2007 (Australia); Ngo, Huu Hao, E-mail: h.ngo@uts.edu.au [Centre for Technology in Water and Wastewater, School of Civil and Environmental Engineering, University of Technology Sydney, Broadway, NSW 2007 (Australia); Guo, Wenshan [Centre for Technology in Water and Wastewater, School of Civil and Environmental Engineering, University of Technology Sydney, Broadway, NSW 2007 (Australia); Lu, Shaoyong [Chinese Research Academy of Environmental Science, Beijing 100012 (China); Chen, Shiao-Shing; Nguyen, Nguyen Cong [Institute of Environmental Engineering and Management, National Taipei University of Technology, No. 1, Sec. 3, Chung-Hsiao E. Rd, Taipei 106, Taiwan (China); Zhang, Xinbo [Department of Environmental and Municipal Engineering, Tianjin Key Laboratory of Aquatic Science and Technology, Tianjin Chengjian University, Jinjing Road 26, Tianjin 300384 (China); Wang, Jie; Wu, Yun [School of Environmental and Chemical Engineering, Tianjin Polytechnic University, Tianjin 300387 (China)
2016-01-15
A breakthrough biosorbent namely multi-metal binding biosorbent (MMBB) made from a combination of tea wastes, maple leaves and mandarin peels, was prepared to evaluate their biosorptive potential for removal of Cd(II), Cu(II), Pb(II) and Zn(II) from multi-metal aqueous solutions. FTIR and SEM were conducted, before and after biosorption, to explore the intensity and position of the available functional groups and changes in adsorbent surface morphology. Carboxylic, hydroxyl and amine groups were found to be the principal functional groups for the sorption of metals. MMBB exhibited best performance at pH 5.5 with maximum sorption capacities of 31.73, 41.06, 76.25 and 26.63 mg/g for Cd(II), Cu(II), Pb(II) and Zn(II), respectively. Pseudo-first and pseudo-second-order models represented the kinetic experimental data in different initial metal concentrations very well. Among two-parameter adsorption isotherm models, the Langmuir equation gave a better fit of the equilibrium data. For Cu(II) and Zn(II), the Khan isotherm describes better biosorption conditions while for Cd(II) and Pb(II), the Sips model was found to provide the best correlation of the biosorption equilibrium data. The calculated thermodynamic parameters indicated feasible, spontaneous and exothermic biosorption process. Overall, this novel MMBB can effectively be utilized as an adsorbent to remove heavy metal ions from aqueous solutions. - Highlights: • A novel multi-metal binding biosorbent (MMBB) was studied. • The biosorption of Cd{sup 2+}, Cu{sup 2+}, Pb{sup 2+} and Zn{sup 2+} on MMBB was evaluated. • Hydroxyl, carbonyl and amine groups are involved in metal binding of MMBB. • Equilibrium data were presented and the best fitting models were identified. • The obtained results recommend this MMBB as potentially low-cost biosorbent.
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.
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.
Scales are a visible peeling or flaking of outer skin layers. These layers are called the stratum ... Scales may be caused by dry skin, certain inflammatory skin conditions, or infections. Examples of disorders that ...
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
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
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
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.
Directory of Open Access Journals (Sweden)
Seif Mohaddecy, R.
2014-05-01
Full Text Available Due to the demand for high octane gasoline as a transportation fuel, the catalytic naphtha reformer has become one of the most important processes in petroleum refineries. In this research, the steady-state modelling of a catalytic fixed-bed naphtha reforming process to predict the momentous output variables was studied. These variables were octane number, yield, hydrogen purity, and temperature of all reforming reactors. To do such a task, an industrial scale semi-regenerative catalytic naphtha reforming unit was studied and modelled. In addition, to evaluate the developed model, the predicted variables i.e. outlet temperatures of reactors, research octane number, yield of gasoline and hydrogen purity were compared against actual data. The results showed that there is a close mapping between the actual and predicted variables, and the mean relative absolute deviation of the mentioned process variables were 0.38 %, 0.52 %, 0.54 %, 0.32 %, 4.8 % and 3.2 %, respectively.
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....
Peroomian, Vahé; El-Alaoui, Mostafa; Brandt, Pontus C.:son
2011-05-01
The contribution of solar wind and ionospheric ions to the ion population of the magnetotail during the 17 April 2002 geomagnetic storm was investigated by using large-scale kinetic (LSK) particle tracing calculations. We began our investigation by carrying out a global magnetohydrodynamic simulation of the storm event by using upstream solar wind and interplanetary magnetic field data from the ACE spacecraft. We launched solar wind H+ ions and ionospheric O+ ions beginning at 0900 UT, ˜2 h prior to the sudden storm commencement (SSC), until 2000 UT. We found that during this Dst ˜ -98 nT storm, solar wind ions carried the bulk of the density and energy density in the nightside ring current and plasma sheet, with the notable exception of the 90 min immediately after the SSC when O+ densities in the ring current exceeded those of H+ ions. The LSK simulation did a very good job of reproducing ion densities observed by the Los Alamos National Laboratory spacecraft at geosynchronous orbit and reproduced the changes in the inner magnetosphere and the injection of ions observed by the IMAGE spacecraft during a substorm that occurred at 1900 UT. These comparisons with observations serve to validate our results throughout the magnetotail and allow us to obtain time-dependent maps of H+ and O+ density and energy density where IMAGE cannot make measurements. In essence, this work extends the viewing window of the IMAGE spacecraft far downtail.
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
Variational Multi-Scale method with spectral approximation of the sub-scales.
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.
Sensitivity of the scale partition for variational multiscale large-eddy simulation of channel flow
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
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
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.)
International Nuclear Information System (INIS)
Wang, B.; Bergstrom, D.J.
2002-01-01
The dynamic two-parameter mixed model (DTPMM) has been recently introduced in the large eddy simulation (LES). However, current approaches in the literatures are mathematically inconsistent. In this paper, the DTPMM has been optimized using the functional variational method. The mathematical inconsistency has been removed and a governing system of two integral equations for the model coefficients of the DTPMM and some significant features have been obtained. Coherent structures relating to the vortex motion of large vortices have been investigated, using the vortex λ 2 -definition of Jeong and Hussain (1995). The numerical results agrees with the classical wall law of von Karman (1939) and experimental correlation of Aydin and Leutheusser (1991). (author)
Large Eddy Simulation of an SD7003 Airfoil: Effects of Reynolds number and Subgrid-scale modeling
DEFF Research Database (Denmark)
Sarlak Chivaee, Hamid
2017-01-01
This paper presents results of a series of numerical simulations in order to study aerodynamic characteristics of the low Reynolds number Selig-Donovan airfoil, SD7003. Large Eddy Simulation (LES) technique is used for all computations at chord-based Reynolds numbers 10,000, 24,000 and 60...... the Reynolds number, and the effect is visible even at a relatively low chord-Reynolds number of 60,000. Among the tested models, the dynamic Smagorinsky gives the poorest predictions of the flow, with overprediction of lift and a larger separation on airfoils suction side. Among various models, the implicit...
Directory of Open Access Journals (Sweden)
Marcelo dos Santos
2000-03-01
Full Text Available The scale number in lateral sets (SNS of Mugil sp. (Mugilidae, Perciformes collected in the lagoon-estuarine region of Cananéia, State of São Paulo ranges from 33 to 39. Electrokinetic, kinetic and thermostability properties of lactate dehydrogenase (LDH were tested to determine if individuals with different SNS correspond to different species or populations of mullet. As in many other teleosts, LDH-A*, LDH-B*, and LDH-C* loci were detected. Through a two-fold serial dilution method applied to 10 different tissues of Mugil sp., a bidirectionally divergent expression of these loci was suggested. No association among LDH electrophoretic pattern, thermal inactivation, kinetic responses and different SNS was observed. The apparent Km (pyr values obtained here were similar to Km values obtained by other authors for muscle and heart LDH or their purified isoforms. The effect of NaCl on Km and Vmax values of Mugil sp. (35 and 39 SNS individuals indicates that this salt behaves as a competitive inhibitor, since it decreases enzyme-substrate affinity. Thus, electrokinetic and thermostability behavior, Km and Vmax values and the effect of NaCl do not permit us to consider these mullets, with SNS ranging from 33 to 39, as belonging to different populations or species.O número de escamas em séries laterais (SNS de exemplares de Mugil sp. (Mugilidae, Perciformes coletados na região estuarino-lagunar de Cananéia, Estado de São Paulo, varia de 33 a 39. A fim de tentar determinar se exemplares com diferentes SNS corresponderiam a diferentes espécies ou populações de tainhas, foram analisadas as propriedades eletrocinéticas, cinéticas e de termoestabilidade da sua lactato desidrogenase (LDH. A exemplo de muitos teleósteos, a LDH de Mugil sp. mostrou-se codificada por 3 locos gênicos: LDH-A*, LDH-B* e LDH-C*. Método de diluições seriadas aplicado a 10 diferentes tecidos dessa espécie sugeriu um padrão bidirecionalmente divergente de express
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 ...
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
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....
Discontinuous Galerkin Subgrid Finite Element Method for Heterogeneous Brinkman’s Equations
Iliev, Oleg P.; Lazarov, Raytcho D.; Willems, Joerg
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
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.
International Nuclear Information System (INIS)
Peters, A.M.; Lavender, J.P.; Saverymuttu, S.H.
1985-01-01
By using density gradient materials enriched with autologous plasma, the authors have been able to isolate granulocutes from other cellular elements and label them with In-111 without separation from a plasma environment. The kinetic behavior of these cells suggests that phenomena attributed to granulocyte activation are greatly reduced by this labeling. Here, they review their study of granulocyte kinetics in health and disease in hope of quantifying sites of margination and identifying principal sites of destruction. The three principle headings of the paper are distribution, life-span, and destruction
Directory of Open Access Journals (Sweden)
Joel Arnault
2012-02-01
Full Text Available Gravity waves generated by the Vestfjella Mountains (in western Droning Maud Land, Antarctica, southwest of the Finnish/Swedish Aboa/Wasa station have been observed with the Moveable atmospheric radar for Antarctica (MARA during the SWEDish Antarctic Research Programme (SWEDARP in December 2007/January 2008. These radar observations are compared with a 2-month Weather Research Forecast (WRF model experiment operated at 2 km horizontal resolution. A control simulation without orography is also operated in order to separate unambiguously the contribution of the mountain waves on the simulated atmospheric flow. This contribution is then quantified with a kinetic energy budget analysis computed in the two simulations. The results of this study confirm that mountain waves reaching lower-stratospheric heights break through convective overturning and generate inertia gravity waves with a smaller vertical wavelength, in association with a brief depletion of kinetic energy through frictional dissipation and negative vertical advection. The kinetic energy budget also shows that gravity waves have a strong influence on the other terms of the budget, i.e. horizontal advection and horizontal work of pressure forces, so evaluating the influence of gravity waves on the mean-flow with the vertical advection term alone is not sufficient, at least in this case. We finally obtain that gravity waves generated by the Vestfjella Mountains reaching lower stratospheric heights generally deplete (create kinetic energy in the lower troposphere (upper troposphere–lower stratosphere, in contradiction with the usual decelerating effect attributed to gravity waves on the zonal circulation in the upper troposphere–lower stratosphere.
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 km^{2}.
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 O_{3}, 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 O_{3} SGV vertical profiles are nearly constant within the PBL during daytime, indicating that trace gases
Renormalization-group theory for the eddy viscosity in subgrid modeling
Zhou, YE; Vahala, George; Hossain, Murshed
1988-01-01
Renormalization-group theory is applied to incompressible three-dimensional Navier-Stokes turbulence so as to eliminate unresolvable small scales. The renormalized Navier-Stokes equation now includes a triple nonlinearity with the eddy viscosity exhibiting a mild cusp behavior, in qualitative agreement with the test-field model results of Kraichnan. For the cusp behavior to arise, not only is the triple nonlinearity necessary but the effects of pressure must be incorporated in the triple term. The renormalized eddy viscosity will not exhibit a cusp behavior if it is assumed that a spectral gap exists between the large and small scales.
On the use of kinetic energy preserving DG-schemes for large eddy simulation
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
Energy Technology Data Exchange (ETDEWEB)
Aichlmayr, H.T.; Kittelson, D.B.; Zachariah, M.R. [The University of Minnesota, Minneapolis (United States). Departments of Mechanical Engineering and Chemistry
2002-10-01
Operational maps for crankshaft-equipped miniature homogeneous charge compression ignition engines are established using performance estimation, detailed chemical kinetics, and diffusion models for heat transfer and radical loss. In this study, radical loss was found to be insignificant. In contrast, heat transfer was found to be increasingly significant for 10, 1, and 0.1 W engines, respectively. Also, temperature-pressure trajectories and ignition delay time maps are used to explore relationships between engine operational parameters and HCCI. Lastly, effects of engine operating conditions and design on the indicated fuel conversion efficiency are investigated. (author)
Energy Technology Data Exchange (ETDEWEB)
Ding, S. Y.
2012-05-01
Presentation on real-time imaging of plant cell wall structure at nanometer scale. Objectives are to develop tools to measure biomass at the nanometer scale; elucidate the molecular bases of biomass deconstruction; and identify factors that affect the conversion efficiency of biomass-to-biofuels.
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
Kreuzer, Hans Jürgen
1986-01-01
This monograph deals with the kinetics of adsorption and desorption of molecules physisorbed on solid surfaces. Although frequent and detailed reference is made to experiment, it is mainly concerned with the theory of the subject. In this, we have attempted to present a unified picture based on the master equation approach. Physisorption kinetics is by no means a closed and mature subject; rather, in writing this monograph we intended to survey a field very much in flux, to assess its achievements so far, and to give a reasonable basis from which further developments can take off. For this reason we have included many papers in the bibliography that are not referred to in the text but are of relevance to physisorption. To keep this monograph to a reasonable size, and also to allow for some unity in the presentation of the material, we had to omit a number of topics related to physisorption kinetics. We have not covered to any extent the equilibrium properties of physisorbed layers such as structures, phase tr...
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.
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
Koster, Randal D.; Eagleson, Peter S.; Broecker, Wallace S.
1988-03-01
A capability is developed for monitoring tracer water movement in the three-dimensional Goddard Institute for Space Science Atmospheric General Circulation Model (GCM). A typical experiment with the tracer water model follows water evaporating from selected grid squares and determines where this water first returns to the Earth's surface as precipitation or condensate, thereby providing information on the lateral scales of hydrological transport in the GCM. Through a comparison of model results with observations in nature, inferences can be drawn concerning real world water transport. Tests of the tracer water model include a comparison of simulated and observed vertically-integrated vapor flux fields and simulations of atomic tritium transport from the stratosphere to the oceans. The inter-annual variability of the tracer water model results is also examined.
Koster, Randal D.; Eagleson, Peter S.; Broecker, Wallace S.
1988-01-01
A capability is developed for monitoring tracer water movement in the three-dimensional Goddard Institute for Space Science Atmospheric General Circulation Model (GCM). A typical experiment with the tracer water model follows water evaporating from selected grid squares and determines where this water first returns to the Earth's surface as precipitation or condensate, thereby providing information on the lateral scales of hydrological transport in the GCM. Through a comparison of model results with observations in nature, inferences can be drawn concerning real world water transport. Tests of the tracer water model include a comparison of simulated and observed vertically-integrated vapor flux fields and simulations of atomic tritium transport from the stratosphere to the oceans. The inter-annual variability of the tracer water model results is also examined.
International Nuclear Information System (INIS)
Colombino, A.; Mosiello, R.; Norelli, F.; Jorio, V.M.; Pacilio, N.
1975-01-01
A nuclear system kinetics is formulated according to a stochastic approach. The detailed probability balance equations are written for the probability of finding the mixed population of neutrons and detected neutrons, i.e. detectrons, at a given level for a given instant of time. Equations are integrated in search of a probability profile: a series of cases is analyzed through a progressive criterium. It tends to take into account an increasing number of physical processes within the chosen model. The most important contribution is that solutions interpret analytically experimental conditions of equilibrium (moise analysis) and non equilibrium (pulsed neutron measurements, source drop technique, start up procedures)
International Nuclear Information System (INIS)
Hicks, D.R.; Kraml, M.; Cayen, M.N.; Dubuc, J.; Ryder, S.; Dvornik, D.
1984-01-01
The kinetics of tolrestat, a potent inhibitor of aldose reductase, were examined. Serum concentrations of tolrestat and of total 14 C were measured after dosing normal subjects and subjects with diabetes with 14 C-labeled tolrestat. In normal subjects, tolrestat was rapidly absorbed and disappearance from serum was biphasic. Distribution and elimination t 1/2s were approximately 2 and 10 to 12 hr, respectively, after single and multiple doses. Unchanged tolrestat accounted for the major portion of 14 C in serum. Radioactivity was rapidly and completely excreted in urine and feces in an approximate ratio of 2:1. Findings were much the same in subjects with diabetes. In normal subjects, the kinetics of oral tolrestat were independent of dose in the 10 to 800 mg range. Repetitive dosing did not result in unexpected cumulation. Tolrestat was more than 99% bound to serum protein; it did not compete with warfarin for binding sites but was displaced to some extent by high concentrations of tolbutamide or salicylate
Sadi, Toufik; Mehonic, Adnan; Montesi, Luca; Buckwell, Mark; Kenyon, Anthony; Asenov, Asen
2018-02-01
We employ an advanced three-dimensional (3D) electro-thermal simulator to explore the physics and potential of oxide-based resistive random-access memory (RRAM) cells. The physical simulation model has been developed recently, and couples a kinetic Monte Carlo study of electron and ionic transport to the self-heating phenomenon while accounting carefully for the physics of vacancy generation and recombination, and trapping mechanisms. The simulation framework successfully captures resistance switching, including the electroforming, set and reset processes, by modeling the dynamics of conductive filaments in the 3D space. This work focuses on the promising yet less studied RRAM structures based on silicon-rich silica (SiO x ) RRAMs. We explain the intrinsic nature of resistance switching of the SiO x layer, analyze the effect of self-heating on device performance, highlight the role of the initial vacancy distributions acting as precursors for switching, and also stress the importance of using 3D physics-based models to capture accurately the switching processes. The simulation work is backed by experimental studies. The simulator is useful for improving our understanding of the little-known physics of SiO x resistive memory devices, as well as other oxide-based RRAM systems (e.g. transition metal oxide RRAMs), offering design and optimization capabilities with regard to the reliability and variability of memory cells.
Sadi, Toufik; Mehonic, Adnan; Montesi, Luca; Buckwell, Mark; Kenyon, Anthony; Asenov, Asen
2018-02-28
We employ an advanced three-dimensional (3D) electro-thermal simulator to explore the physics and potential of oxide-based resistive random-access memory (RRAM) cells. The physical simulation model has been developed recently, and couples a kinetic Monte Carlo study of electron and ionic transport to the self-heating phenomenon while accounting carefully for the physics of vacancy generation and recombination, and trapping mechanisms. The simulation framework successfully captures resistance switching, including the electroforming, set and reset processes, by modeling the dynamics of conductive filaments in the 3D space. This work focuses on the promising yet less studied RRAM structures based on silicon-rich silica (SiO x ) RRAMs. We explain the intrinsic nature of resistance switching of the SiO x layer, analyze the effect of self-heating on device performance, highlight the role of the initial vacancy distributions acting as precursors for switching, and also stress the importance of using 3D physics-based models to capture accurately the switching processes. The simulation work is backed by experimental studies. The simulator is useful for improving our understanding of the little-known physics of SiO x resistive memory devices, as well as other oxide-based RRAM systems (e.g. transition metal oxide RRAMs), offering design and optimization capabilities with regard to the reliability and variability of memory cells.
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
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.
Vink, Jos P M; van Zomeren, Andre; Dijkstra, Joris J; Comans, Rob N J
2017-08-01
Simulating the storage of aerobic soils under water, the chemical speciation of heavy metals and arsenic was studied over a long-term reduction period. Time-dynamic and redox-discrete measurements in reactors were used to study geochemical changes. Large kinetic differences in the net-complexation quantities of heavy metals with sulfides was observed, and elevated pore water concentrations remained for a prolonged period (>1 year) specifically for As, B, Ba, Co, Mo, and Ni. Arsenic is associated to the iron phases as a co-precipitate or sorbed fraction to Fe-(hydr)oxides, and it is being released into solution as a consequence of the reduction of iron. The composition of dissolved organic matter (DOM) in reducing pore water was monitored, and relative contributions of fulvic, humic and hydrophylic compounds were measured via analytical batch procedures. Quantitative and qualitative shifts in organic compounds occur during reduction; DOM increased up to a factor 10, while fulvic acids become dominant over humic acids which disappear altogether as reduction progresses. Both the hydrophobic and hydrophilic fractions increase and may even become the dominant fraction. Reactive amorphous and crystalline iron phases, as well as dissolved FeII/FeIII speciation, were measured and used as input for the geochemical model to improve predictions for risk assessment to suboxic and anaerobic environments. The release of arsenic is related to readily reducible iron fractions that may be identified by 1 mM CaCl 2 extraction procedure. Including DOM concentration shifts and compositional changes during reduction significantly improved model simulations, enabling the prediction of peak concentrations and identification of soils with increased emission risk. Practical methods are suggested to facilitate the practice of environmentally acceptable soil storage under water. Copyright © 2017 Elsevier Ltd. All rights reserved.
Pagba, Cynthia V; McCaslin, Tyler G; Chi, San-Hui; Perry, Joseph W; Barry, Bridgette A
2016-02-25
Photosystem II (PSII) and ribonucleotide reductase employ oxidation and reduction of the tyrosine aromatic ring in radical transport pathways. Tyrosine-based reactions involve either proton-coupled electron transfer (PCET) or electron transfer (ET) alone, depending on the pH and the pKa of tyrosine's phenolic oxygen. In PSII, a subset of the PCET reactions are mediated by a tyrosine-histidine redox-driven proton relay, YD-His189. Peptide A is a PSII-inspired β-hairpin, which contains a single tyrosine (Y5) and histidine (H14). Previous electrochemical characterization indicated that Peptide A conducts a net PCET reaction between Y5 and H14, which have a cross-strand π-π interaction. The kinetic impact of H14 has not yet been explored. Here, we address this question through time-resolved absorption spectroscopy and 280-nm photolysis, which generates a neutral tyrosyl radical. The formation and decay of the neutral tyrosyl radical at 410 nm were monitored in Peptide A and its variant, Peptide C, in which H14 is replaced by cyclohexylalanine (Cha14). Significantly, both electron transfer (ET, pL 11, L = lyonium) and PCET (pL 9) were accelerated in Peptide A and C, compared to model tyrosinate or tyrosine at the same pL. Increased electronic coupling, mediated by the peptide backbone, can account for this rate acceleration. Deuterium exchange gave no significant solvent isotope effect in the peptides. At pL 9, but not at pL 11, the reaction rate decreased when H14 was mutated to Cha14. This decrease in rate is attributed to an increase in reorganization energy in the Cha14 mutant. The Y5-H14 mechanism in Peptide A is reminiscent of proton- and electron-transfer events involving YD-H189 in PSII. These results document a mechanism by which proton donors and acceptors can regulate the rate of PCET reactions.
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
Kinetic parameters from thermogravimetric analysis
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.
Energy Technology Data Exchange (ETDEWEB)
Pezzotti, Giuseppe, E-mail: pezzotti@kit.ac.jp [Ceramic Physics Laboratory, Kyoto Institute of Technology, Sakyo-ku, Matsugasaki, 606-8126 Kyoto (Japan); Bal, B. Sonny [Department of Orthopaedic Surgery, University of Missouri, Columbia, MO 65212 (United States); Amedica Corporation, 1885 West 2100 South, Salt Lake City, UT 84119 (United States); Zanocco, Matteo; Marin, Elia [Ceramic Physics Laboratory, Kyoto Institute of Technology, Sakyo-ku, Matsugasaki, 606-8126 Kyoto (Japan); Sugano, Nobuhiko [Department of Medical Engineering for Treatment of Bone and Joint Disorders, Osaka University, 2-2 Yamadaoka, Suita, Osaka 565-0854 (Japan); McEntire, Bryan J. [Amedica Corporation, 1885 West 2100 South, Salt Lake City, UT 84119 (United States); Zhu, Wenliang, E-mail: wlzhu2002@hotmail.com [Department of Medical Engineering for Treatment of Bone and Joint Disorders, Osaka University, 2-2 Yamadaoka, Suita, Osaka 565-0854 (Japan)
2017-02-01
Understanding the intrinsic reason(s) for the enhanced tetragonal to monoclinic (t → m) polymorphic phase transformation observed on metal-stained surfaces of zirconia-toughened alumina (ZTA) requires detailed knowledge of off-stoichiometry reactions at the molecular scale. In this context, knowledge of the mechanism(s) for oxygen vacancy creation or annihilation at the material surface is a necessary prerequisite. The crucial aspect of the surface destabilization phenomenon, namely the availability of electrons and holes that allow for vacancy creation/annihilation, is elucidated in this paper. Metal-enhanced alterations of the oxygen sublattice in both Al{sub 2}O{sub 3} and ZrO{sub 2} of the ZTA composite play a decisive role in accelerating the polymorphic transformation. According to spectroscopic evidences obtained through nanometer-scale analyses, enhanced annihilation of oxygen vacancies triggers polymorphic transformation in ZrO{sub 2} near the metal stain, while the overall Al{sub 2}O{sub 3} lattice tends to dehydroxylate by forming oxygen vacancies. A mechanism for chemically driven “reactive metastability” is suggested, which results in accelerating the polymorphic transformation. The Al{sub 2}O{sub 3} matrix is found to play a key-role in the ZrO{sub 2} transformation process, with unambiguous confirmation of oxygen and hydrogen transport at the material surface. It is postulated that this transport is mediated by migration of dissociated O and H elements at the surface of the stained transition metal as they become readily available by the thermally activated surrounding. - Graphical abstract: Metal-enhanced alterations of the oxygen sublattice in both Al{sub 2}O{sub 3} and ZrO{sub 2} of the ZTA composite play a decisive role in the polymorphic transformation. According to spectroscopic evidence obtained through nanometer-scale analyses, enhanced annihilation of oxygen vacancies in Al{sub 2}O{sub 3} and ZrO{sub 2} occurs near the metal stain
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
A kinetics database and scripts for PHREEQC
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.
International Nuclear Information System (INIS)
Petruzzi, A.; D'Auria, F.; Bajs, T.; Reventos, F.
2006-01-01
Thermal-hydraulic system computer codes are extensively used worldwide for analysis of nuclear facilities by utilities, regulatory bodies, nuclear power plant designers and vendors, nuclear fuel companies, research organizations, consulting companies, and technical support organizations. The computer code user represents a source of uncertainty that can influence the results of system code calculations. This influence is commonly known as the 'user effect' and stems from the limitations embedded in the codes as well as from the limited capability of the analysts to use the codes. Code user training and qualification is an effective means for reducing the variation of results caused by the application of the codes by different users. This paper describes a systematic approach to training code users who, upon completion of the training, should be able to perform calculations making the best possible use of the capabilities of best estimate codes. In other words, the program aims at contributing towards solving the problem of user effect. The 3D S.UN.COP 2005 (Scaling, Uncertainty and 3D COuPled code calculations) seminar has been organized by University of Pisa and University of Zagreb as follow-up of the proposal to IAEA for the Permanent Training Course for System Code Users (D'Auria, 1998). It was recognized that such a course represented both a source of continuing education for current code users and a means for current code users to enter the formal training structure of a proposed 'permanent' stepwise approach to user training. The seminar-training was successfully held with the participation of 19 persons coming from 9 countries and 14 different institutions (universities, vendors, national laboratories and regulatory bodies). More than 15 scientists were involved in the organization of the seminar, presenting theoretical aspects of the proposed methodologies and holding the training and the final examination. A certificate (LA Code User grade) was released
Directory of Open Access Journals (Sweden)
Jabraeil Taghinazhad
2017-03-01
Full Text Available Biogas production from anaerobic co-digestion of cow manure (CM and corn straw residue (CSR were experimentally investigated using a completely stirred tank reactor (CSTR under semi- continuously feeding circumstance at mesophilic (35°C±2 temperature. The pilot-scale digester with 180 L in volume was employed under experimental protocol to examine the effect of the change in organic loading rate on efficiency of biogas production and to report on its steady-state performance. An average organic loading rates of 2 and 3 kg VS. (m-3.d-1 and a hydraulic retention time (HRT of 25 days was examined with respect to two different CM to CSR mixing ratios of 100:0 , 75:25 and 50:50, respectively. The results showed both organic loading rates at co-digestion of CM+ CSR gave better methane yields than single digestion of cow manure. The biogas production efficiency was obtained 0.242, 0.204, 0.311 0.296, 259.5 and 235 m3.(kg VS input-1 for 2 and 3 kg VS.(m-3.d-1 at CM to CSR mixing ratios of100:0 , 75:25 and 50:50, respectively. The reactor showed stable performance with VS reduction between 55-74% during different runs. With increment of loading rate, the VS degradation and biogas yield decreased. Modified Gompertz and logistic plot equation was employed to model the methane production at different organic loading rates and substrate concentrations. The equations gave a good approximation of the maximum methane production (rm and the methane yield potential (P with correlation coefficient (R2 over 0.99. Keywords: Biogas; cow manure; corn straw; Kinetic; semi-continuously Article History: Received Oct 25th 2016; Received in revised form Dec 19th 2016; Accepted 2nd January 2017; Available online How to Cite This Article: Taghinazhad. J., Abdi, R. and Adl, M. (2017. Kinetic and Enhancement of Biogas Production for the purpose of renewable fuel generation by Co-digestion of Cow Manure and Corn Straw in a Pilot Scale CSTR System. Int Journal of Renewable
International Nuclear Information System (INIS)
Petruzzi, Alessandro; D'Auria, Francesco; Bajs, Tomislav; Reventos, Francesc; Hassan, Yassin
2007-01-01
Thermal-hydraulic system computer codes are extensively used worldwide for analysis of nuclear facilities by utilities, regulatory bodies, nuclear power plant designers and vendors, nuclear fuel companies, research organizations, consulting companies, and technical support organizations. The computer code user represents a source of uncertainty that can influence the results of system code calculations. This influence is commonly known as the user effect' and stems from the limitations embedded in the codes as well as from the limited capability of the analysis to use the codes. Code user training and qualification is an effective means for reducing the variation of results caused by the application of the codes by different users. This paper describes a systematic approach to training code users who, upon completion of the training, should be able to perform calculations making the best possible use of the capabilities of best estimate codes. In other words, the program aims at contributing towards solving the problem of user effect. The 3D S.UN.COP (Scaling, Uncertainty and 3D COuPled code calculations) seminars have been organized as follow-up of the proposal to IAEA for the Permanent Training Course for System Code Users. Six seminars have been held at University of Pisa (2003, 2004), at The Pennsylvania State University (2004), at University of Zagreb (2005), at the School of Industrial Engineering of Barcelona (January-February 2006) and in Buenos Aires, Argentina (October 2006), being this last one requested by ARN (Autoridad Regulatoria Nuclear), NA-SA (Nucleoelectrica Argentina S.A) and CNEA (Comision Nacional de Energia Atomica). It was recognized that such courses represented both a source of continuing education for current code users and a mean for current code users to enter the formal training structure of a proposed 'permanent' stepwise approach to user training. The 3D S.UN.COP 2006 in Barcelona was successfully held with the attendance of 33
International Nuclear Information System (INIS)
Petruzzi, Alessandro; D'Auria, Francesco; Bajs, Tomislav; Reventos, Francesc
2006-01-01
Thermal-hydraulic system computer codes are extensively used worldwide for analysis of nuclear facilities by utilities, regulatory bodies, nuclear power plant designers and vendors, nuclear fuel companies, research organizations, consulting companies, and technical support organizations. The computer code user represents a source of uncertainty that can influence the results of system code calculations. This influence is commonly known as the 'user effect' and stems from the limitations embedded in the codes as well as from the limited capability of the analysts to use the codes. Code user training and qualification is an effective means for reducing the variation of results caused by the application of the codes by different users. This paper describes a systematic approach to training code users who, upon completion of the training, should be able to perform calculations making the best possible use of the capabilities of best estimate codes. In other words, the program aims at contributing towards solving the problem of user effect. The 3D S.UN.COP (Scaling, Uncertainty and 3D COuPled code calculations) seminars have been organized as follow-up of the proposal to IAEA for the Permanent Training Course for System Code Users [1]. Five seminars have been held at University of Pisa (2003, 2004), at The Pennsylvania State University (2004), at University of Zagreb (2005) and at the School of Industrial Engineering of Barcelona (2006). It was recognized that such courses represented both a source of continuing education for current code users and a mean for current code users to enter the formal training structure of a proposed 'permanent' stepwise approach to user training. The 3D S.UN.COP 2006 was successfully held with the attendance of 33 participants coming from 18 countries and 28 different institutions (universities, vendors, national laboratories and regulatory bodies). More than 30 scientists (coming from 13 countries and 23 different institutions) were
International Nuclear Information System (INIS)
Pertuzzi, A.; D'Auria, F.; Bajs, T.; Reventos, F.
2006-01-01
Thermal-hydraulic system computer codes are extensively used worldwide for analysis of nuclear facilities by utilities, regulatory bodies, nuclear power plant designers and vendors, nuclear fuel companies, research organizations, consulting companies, and technical support organizations. The computer code user represents a source of uncertainty that can influence the results of system code calculations. This influence is commonly known as the 'user effect' and stems from the limitations embedded in the codes as well as from the limited capability of the analysts to use the codes. Code user training and qualification is an effective means for reducing the variation of results caused by the application of the codes by different users. This paper describes a systematic approach to training code users who, upon completion of the training, should be able to perform calculations making the best possible use of the capabilities of best estimate codes. In other words, the program aims at contributing towards solving the problem of user effect. The 3D S.UN.COP (Scaling, Uncertainty and 3D COuPled code calculations) seminars have been organized as follow-up of the proposal to IAEA for the Permanent Training Course for System Code Users (D'Auria, 1998). Four seminars have been held at University of Pisa (2003, 2004), at The Pennsylvania State University (2004) and at University of Zagreb (2005). It was recognized that such courses represented both a source of continuing education for current code users and a mean for current code users to enter the formal training structure of a proposed 'permanent' stepwise approach to user training. The 3D S.UN.COP 2005 was successfully held with the participation of 19 persons coming from 9 countries and 14 different institutions (universities, vendors, national laboratories and regulatory bodies). More than 15 scientists were involved in the organization of the seminar, presenting theoretical aspects of the proposed methodologies and
Kinetic theory and transport phenomena
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...
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
M. M. Clark; T. H. Fletcher; R. R. Linn
2010-01-01
The chemical processes of gas phase combustion in wildland fires are complex and occur at length-scales that are not resolved in computational fluid dynamics (CFD) models of landscape-scale wildland fire. A new approach for modelling fire chemistry in HIGRAD/FIRETEC (a landscape-scale CFD wildfire model) applies a mixtureâ fraction model relying on thermodynamic...
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
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)
Yang, Fanglin; Schlesinger, Michael E.; Andranova, Natasha; Zubov, Vladimir A.; Rozanov, Eugene V.; Callis, Lin B.
2003-01-01
The sensitivity of the middle atmospheric temperature and circulation to the treatment of mean- flow forcing due to breaking gravity waves was investigated using the University of Illinois at Urbana-Champaign 40-layer Mesosphere-Stratosphere-Troposphere General Circulation Model (MST-GCM). Three GCM experiments were performed. The gravity-wave forcing was represented first by Rayleigh friction, and then by the Alexander and Dunkerton (AD) parameterization with weak and strong breaking effects of gravity waves. In all experiments, the Palmer et al. parameterization was included to treat the breaking of topographic gravity waves in the troposphere and lower stratosphere. Overall, the experiment with the strong breaking effect simulates best the middle atmospheric temperature and circulation. With Rayleigh friction and the weak breaking effect, a large warm bias of up to 60 C was found in the summer upper mesosphere and lower thermosphere. This warm bias was linked to the inability of the GCM to simulate the reversal of the zonal winds from easterly to westerly crossing the mesopause in the summer hemisphere. With the strong breaking effect, the GCM was able to simulate this reversal, and essentially eliminated the warm bias. This improvement was the result of a much stronger meridional transport circulation that possesses a strong vertical ascending branch in the summer upper mesosphere, and hence large adiabatic cooling. Budget analysis indicates that 'in the middle atmosphere the forces that act to maintain a steady zonal-mean zonal wind are primarily those associated with the meridional transport circulation and breaking gravity waves. Contributions from the interaction of the model-resolved eddies with the mean flow are small. To obtain a transport circulation in the mesosphere of the UIUC MST-GCM that is strong enough to produce the observed cold summer mesopause, gravity-wave forcing larger than 100 m/s/day in magnitude is required near the summer mesopause. In the tropics, only with the AD parameterization can the model produce realistic semiannual oscillations.
Energy Technology Data Exchange (ETDEWEB)
Randall, David A. [Colorado State Univ., Fort Collins, CO (United States). Dept. of Atmospheric Science
2015-11-01
We proposed to implement, test, and evaluate recently developed turbulence parameterizations, using a wide variety of methods and modeling frameworks together with observations including ARM data. We have successfully tested three different turbulence parameterizations in versions of the Community Atmosphere Model: CLUBB, SHOC, and IPHOC. All three produce significant improvements in the simulated climate. CLUBB will be used in CAM6, and also in ACME. SHOC is being tested in the NCEP forecast model. In addition, we have achieved a better understanding of the strengths and limitations of the PDF-based parameterizations of turbulence and convection.
Energy Technology Data Exchange (ETDEWEB)
Larson, Vincent [Univ. of Wisconsin, Milwaukee, WI (United States)
2016-11-25
The Multiscale Modeling Framework (MMF) embeds a cloud-resolving model in each grid column of a General Circulation Model (GCM). A MMF model does not need to use a deep convective parameterization, and thereby dispenses with the uncertainties in such parameterizations. However, MMF models grossly under-resolve shallow boundary-layer clouds, and hence those clouds may still benefit from parameterization. In this grant, we successfully created a climate model that embeds a cloud parameterization (“CLUBB”) within a MMF model. This involved interfacing CLUBB’s clouds with microphysics and reducing computational cost. We have evaluated the resulting simulated clouds and precipitation with satellite observations. The chief benefit of the project is to provide a MMF model that has an improved representation of clouds and that provides improved simulations of precipitation.
A Kinetics Model for KrF Laser Amplifiers
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.
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
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.)
Principles of chemical kinetics
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
Introduction to chemical kinetics
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
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.
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
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.
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
Non-kinetic capabilities: complementing the kinetic prevalence to targeting
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...
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
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...
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
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)
Irreversible processes kinetic theory
Brush, Stephen G
2013-01-01
Kinetic Theory, Volume 2: Irreversible Processes deals with the kinetic theory of gases and the irreversible processes they undergo. It includes the two papers by James Clerk Maxwell and Ludwig Boltzmann in which the basic equations for transport processes in gases are formulated, together with the first derivation of Boltzmann's ""H-theorem"" and a discussion of this theorem, along with the problem of irreversibility.Comprised of 10 chapters, this volume begins with an introduction to the fundamental nature of heat and of gases, along with Boltzmann's work on the kinetic theory of gases and s
Large-Eddy Simulation of Flow and Pollutant Transport in Urban Street Canyons with Ground Heating
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...
Implement a Sub-grid Turbulent Orographic Form Drag in WRF and its application to Tibetan Plateau
Zhou, X.; Yang, K.; Wang, Y.; Huang, B.
2017-12-01
Sub-grid-scale orographic variation exerts turbulent form drag on atmospheric flows. The Weather Research and Forecasting model (WRF) includes a turbulent orographic form drag (TOFD) scheme that adds the stress to the surface layer. In this study, another TOFD scheme has been incorporated in WRF3.7, which exerts an exponentially decaying drag on each model layer. To investigate the effect of the new scheme, WRF with the old and new one was used to simulate the climate over the complex terrain of the Tibetan Plateau. The two schemes were evaluated in terms of the direct impact (on wind) and the indirect impact (on air temperature, surface pressure and precipitation). Both in winter and summer, the new TOFD scheme reduces the mean bias in the surface wind, and clearly reduces the root mean square error (RMSEs) in comparisons with the station measurements (Figure 1). Meanwhile, the 2-m air temperature and surface pressure is also improved (Figure 2) due to the more warm air northward transport across south boundary of TP in winter. The 2-m air temperature is hardly improved in summer but the precipitation improvement is more obvious, with reduced mean bias and RMSEs. This is due to the weakening of water vapor flux (at low-level flow with the new scheme) crossing the Himalayan Mountains from South Asia.
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
SHORT COMMUNICATION CATALYTIC KINETIC ...
African Journals Online (AJOL)
IV) catalyzes the discoloring reaction of DBS-arsenazo oxidized by potassium bromate, a new catalytic kinetic spectrophotometric method for the determination of trace titanium (IV) was developed. The linear range of the determination of ...
Applying an economical scale-aware PDF-based turbulence closure model in NOAA NCEP GCMs.
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
Production of a sterile species: Quantum kinetics
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=Γaacos2θm; Γ2=Γaasin2θm 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.
Sulfide toxicity kinetics of a uasb reactor
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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.
Relativistic Chiral Kinetic Theory
International Nuclear Information System (INIS)
Stephanov, Mikhail
2016-01-01
This very brief review of the recent progress in chiral kinetic theory is based on the results of Refs. [J.-Y. Chen, D. T. Son, M. A. Stephanov, H.-U. Yee, Y. Yin, Lorentz Invariance in Chiral Kinetic Theory, Phys. Rev. Lett. 113 (18) (2014) 182302. doi: (10.1103/PhysRevLett.113.182302); J.-Y. Chen, D. T. Son, M. A. Stephanov, Collisions in Chiral Kinetic Theory, Phys. Rev. Lett. 115 (2) (2015) 021601. doi: (10.1103/PhysRevLett.115.021601); M. A. Stephanov, H.-U. Yee, The no-drag frame for anomalous chiral fluid, Phys. Rev. Lett. 116 (12) (2016) 122302. doi: (10.1103/PhysRevLett.116.122302)].
Relativistic Chiral Kinetic Theory
Energy Technology Data Exchange (ETDEWEB)
Stephanov, Mikhail
2016-12-15
This very brief review of the recent progress in chiral kinetic theory is based on the results of Refs. [J.-Y. Chen, D. T. Son, M. A. Stephanov, H.-U. Yee, Y. Yin, Lorentz Invariance in Chiral Kinetic Theory, Phys. Rev. Lett. 113 (18) (2014) 182302. doi: (10.1103/PhysRevLett.113.182302); J.-Y. Chen, D. T. Son, M. A. Stephanov, Collisions in Chiral Kinetic Theory, Phys. Rev. Lett. 115 (2) (2015) 021601. doi: (10.1103/PhysRevLett.115.021601); M. A. Stephanov, H.-U. Yee, The no-drag frame for anomalous chiral fluid, Phys. Rev. Lett. 116 (12) (2016) 122302. doi: (10.1103/PhysRevLett.116.122302)].
Erbium hydride decomposition kinetics.
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Ferrizz, Robert Matthew
2006-11-01
Thermal desorption spectroscopy (TDS) is used to study the decomposition kinetics of erbium hydride thin films. The TDS results presented in this report are analyzed quantitatively using Redhead's method to yield kinetic parameters (E{sub A} {approx} 54.2 kcal/mol), which are then utilized to predict hydrogen outgassing in vacuum for a variety of thermal treatments. Interestingly, it was found that the activation energy for desorption can vary by more than 7 kcal/mol (0.30 eV) for seemingly similar samples. In addition, small amounts of less-stable hydrogen were observed for all erbium dihydride films. A detailed explanation of several approaches for analyzing thermal desorption spectra to obtain kinetic information is included as an appendix.
Vereshchagin, Gregory V.; Aksenov, Alexey G.
2017-02-01
Preface; Acknowledgements; Acronyms and definitions; Introduction; Part I. Theoretical Foundations: 1. Basic concepts; 2. Kinetic equation; 3. Averaging; 4. Conservation laws and equilibrium; 5. Relativistic BBGKY hierarchy; 6. Basic parameters in gases and plasmas; Part II. Numerical Methods: 7. The basics of computational physics; 8. Direct integration of Boltzmann equations; 9. Multidimensional hydrodynamics; Part III. Applications: 10. Wave dispersion in relativistic plasma; 11. Thermalization in relativistic plasma; 12. Kinetics of particles in strong fields; 13. Compton scattering in astrophysics and cosmology; 14. Self-gravitating systems; 15. Neutrinos, gravitational collapse and supernovae; Appendices; Bibliography; Index.
Bonitz, Michael
2016-01-01
This book presents quantum kinetic theory in a comprehensive way. The focus is on density operator methods and on non-equilibrium Green functions. The theory allows to rigorously treat nonequilibrium dynamics in quantum many-body systems. Of particular interest are ultrafast processes in plasmas, condensed matter and trapped atoms that are stimulated by rapidly developing experiments with short pulse lasers and free electron lasers. To describe these experiments theoretically, the most powerful approach is given by non-Markovian quantum kinetic equations that are discussed in detail, including computational aspects.
Oxidative desulfurization: kinetic modelling.
Dhir, S; Uppaluri, R; Purkait, M K
2009-01-30
Increasing environmental legislations coupled with enhanced production of petroleum products demand, the deployment of novel technologies to remove organic sulfur efficiently. This work represents the kinetic modeling of ODS using H(2)O(2) over tungsten-containing layered double hydroxide (LDH) using the experimental data provided by Hulea et al. [V. Hulea, A.L. Maciuca, F. Fajula, E. Dumitriu, Catalytic oxidation of thiophenes and thioethers with hydrogen peroxide in the presence of W-containing layered double hydroxides, Appl. Catal. A: Gen. 313 (2) (2006) 200-207]. The kinetic modeling approach in this work initially targets the scope of the generation of a superstructure of micro-kinetic reaction schemes and models assuming Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanisms. Subsequently, the screening and selection of above models is initially based on profile-based elimination of incompetent schemes followed by non-linear regression search performed using the Levenberg-Marquardt algorithm (LMA) for the chosen models. The above analysis inferred that Eley-Rideal mechanism describes the kinetic behavior of ODS process using tungsten-containing LDH, with adsorption of reactant and intermediate product only taking place on the catalyst surface. Finally, an economic index is presented that scopes the economic aspects of the novel catalytic technology with the parameters obtained during regression analysis to conclude that the cost factor for the catalyst is 0.0062-0.04759 US $ per barrel.
Oxidative desulfurization: Kinetic modelling
International Nuclear Information System (INIS)
Dhir, S.; Uppaluri, R.; Purkait, M.K.
2009-01-01
Increasing environmental legislations coupled with enhanced production of petroleum products demand, the deployment of novel technologies to remove organic sulfur efficiently. This work represents the kinetic modeling of ODS using H 2 O 2 over tungsten-containing layered double hydroxide (LDH) using the experimental data provided by Hulea et al. [V. Hulea, A.L. Maciuca, F. Fajula, E. Dumitriu, Catalytic oxidation of thiophenes and thioethers with hydrogen peroxide in the presence of W-containing layered double hydroxides, Appl. Catal. A: Gen. 313 (2) (2006) 200-207]. The kinetic modeling approach in this work initially targets the scope of the generation of a superstructure of micro-kinetic reaction schemes and models assuming Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanisms. Subsequently, the screening and selection of above models is initially based on profile-based elimination of incompetent schemes followed by non-linear regression search performed using the Levenberg-Marquardt algorithm (LMA) for the chosen models. The above analysis inferred that Eley-Rideal mechanism describes the kinetic behavior of ODS process using tungsten-containing LDH, with adsorption of reactant and intermediate product only taking place on the catalyst surface. Finally, an economic index is presented that scopes the economic aspects of the novel catalytic technology with the parameters obtained during regression analysis to conclude that the cost factor for the catalyst is 0.0062-0.04759 US $ per barrel
Modeling chemical kinetics graphically
Heck, A.
2012-01-01
In literature on chemistry education it has often been suggested that students, at high school level and beyond, can benefit in their studies of chemical kinetics from computer supported activities. Use of system dynamics modeling software is one of the suggested quantitative approaches that could
CATALYTIC KINETIC SPECTROPHOTOMETRIC DETERMINATION ...
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acetylchlorophosphonazo(CPApA) by hydrogen peroxide in 0.10 M phosphoric acid. A novel catalytic kinetic-spectrophotometric method is proposed for the determination of copper based on this principle. Copper(II) can be determined spectrophotometrically ...
International Nuclear Information System (INIS)
Kimpland, R.H.
1996-01-01
A normalized form of the point kinetics equations, a prompt jump approximation, and the Nordheim-Fuchs model are used to model nuclear systems. Reactivity feedback mechanisms considered include volumetric expansion, thermal neutron temperature effect, Doppler effect and void formation. A sample problem of an excursion occurring in a plutonium solution accidentally formed in a glovebox is presented
Kinetic modeling of cell metabolism for microbial production.
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.
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.
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.
International Nuclear Information System (INIS)
Bricmont, R.J.; Hamilton, P.A.; Ming Long Ting, R.
1981-01-01
Reactors, fuel processing plants etc incorporate pipes and conduits for fluids under high pressure. Fractures, particularly adjacent to conduit elbows, produce a jet of liquid which whips the broken conduit at an extremely high velocity. An enormous impact load would be applied to any stationary object in the conduit's path. The design of cellular, corrugated metal impact pads to absorb the kinetic energy of the high velocity conduits is given. (U.K.)
The kinetically dominated quasar 3C 418
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).
Berelson, W.; Subhas, A.; Dong, S.; Naviaux, J.; Adkins, J. F.
2016-12-01
A geological buffer for high atmospheric CO2 concentrations is neutralization via reaction with CaCO3. We have been studying the dissolution kinetics of carbonate minerals using labeled 13C calcite and Picarro-based measurements of 13C enrichments in solution DIC. This methodology has greatly facilitated our investigation of dissolution kinetics as a function of water carbonate chemistry, temperature and pressure. One can adjust the saturation state Omega by changing the ion activity product (e.g. adjusting carbonate ion concentration), or by changing the solubility product (e.g. adjusting temperature or pressure). The canonical formulation of dissolution rate vs. omega has been refined (Subhas et al. 2015) and shows distinct non-linear behavior near equilibrium and rates in sea water of 1-3 e-6 g/cm2day at omega = 0.8. Carbonic anhydrase (CA), an enzyme that catalyzes the hydration of dissolved CO2 to carbonic acid, was shown (in concentrations 500x. This result points to the importance of carbonic acid in enhancing dissolution at low degrees of undersaturation. CA activity and abundance in nature must be considered regarding the role it plays in catalyzing dissolution. We also have been investigating the role of temperature on dissolution kinetics. An increase of 16C yields an order of magnitude increase in dissolution rate. Temperature (and P) also change Omega critical, the saturation state where dissolution rates change substantially. Increasing pressure (achieved in a pressure reaction chamber we built) also shifts Omega critical closer to equilibrium and small pressure increases have large impact on dissolution kinetics. Dissolution rates are enhanced by an order of magnitude for a change in pressure of 1500 psi relative to the dissolution rate achieved by water chemistry effects alone for an omega of 0.8. We've shown that the thermodynamic determination of saturation state does not adequately describe the kinetics of dissolution. The interplay of mineral
Reaction kinetics of bond rotations in graphene
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.
Reaction kinetics of bond rotations in graphene
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.
International Nuclear Information System (INIS)
Augusiak, R; Cucchietti, F M; Lewenstein, M; Haake, F
2010-01-01
In this paper, we introduce a quantum generalization of classical kinetic Ising models (KIM), described by a certain class of quantum many-body master equations. Similarly to KIMs with detailed balance that are equivalent to certain Hamiltonian systems, our models reduce to a set of Hamiltonian systems determining the dynamics of the elements of the many-body density matrix. The ground states of these Hamiltonians are well described by the matrix product, or pair entangled projected states. We discuss critical properties of such Hamiltonians, as well as entanglement properties of their low-energy states.
International Nuclear Information System (INIS)
Busch, R.; Johnson, W.L.
1998-01-01
Viscosity and enthalpy relaxation from the amorphous state into the supercooled liquid state was investigated in the bulk metallic glass forming Zr 46.75 Ti 8.25 Cu 7.5 Ni 10 Be 27.5 alloy below the calorimetric glass transition. At different temperatures, the viscosities relax into states that obey the same Vogel endash Fulcher endash Tammann relation as the data obtained at higher temperatures in the supercooled liquid. Enthalpy recovery experiments after relaxation in the same temperature range show that the enthalpy of the material reaches values that also corresponds to the supercooled liquid state. The glass relaxes into a metastable supercooled liquid state, if it is observed on a long time scale. Equilibration is possible far below the calorimetric glass transition and very likely even below the isentropic temperature. copyright 1998 American Institute of Physics
Energy Technology Data Exchange (ETDEWEB)
Seery, D.J.; Freihaut, J.D.; Proscia, W.M. (United Technologies Research Center, East Hartford, CT (USA)); Howard, J.B.; Peters, W.; Hsu, J.; Hajaligol, M.; Sarofim, A. (Massachusetts Inst. of Tech., Cambridge, MA (USA)); Jenkins, R.; Mallin, J.; Espindola-Merin, B. (Pennsylvania State Univ., University Park, PA (USA)); Essenhigh, R.; Misra, M.K. (Ohio State Univ., Columbus, OH (USA))
1989-07-01
This report contains results of a coordinated, multi-laboratory investigation of coal devolatilization. Data is reported pertaining to the devolatilization for bituminous coals over three orders of magnitude in apparent heating rate (100 to 100,000 + {degree}C/sec), over two orders of magnitude in particle size (20 to 700 microns), final particle temperatures from 400 to 1600{degree}C, heat transfer modes ranging from convection to radiative, ambient pressure ranging from near vacuum to one atmosphere pressure. The heat transfer characteristics of the reactors are reported in detail. It is assumed the experimental results are to form the basis of a devolatilization data base. Empirical rate expressions are developed for each phase of devolatilization which, when coupled to an awareness of the heat transfer rate potential of a particular devolatilization reactor, indicate the kinetics emphasized by a particular system reactor plus coal sample. The analysis indicates the particular phase of devolatilization that will be emphasized by a particular reactor type and, thereby, the kinetic expressions appropriate to that devolatilization system. Engineering rate expressions are developed from the empirical rate expressions in the context of a fundamental understanding of coal devolatilization developed in the course of the investigation. 164 refs., 223 figs., 44 tabs.
International Nuclear Information System (INIS)
Thames, H.D.
1989-01-01
Monoexponential repair kinetics is based on the assumption of a single, dose-independent rate of repair of sublethal injury in the target cells for tissue injury after exposure to ionizing radiation. Descriptions of the available data based on this assumption have proved fairly successful for both acutely responding (skin, lip mucosa, gut) and late-responding (lung, spinal cord) normal tissues. There are indications of biphasic exponential repair in both categories, however. Unfortunately, the data usually lack sufficient resolution to permit unambiguous determination of the repair rates. There are also indications that repair kinetics may depend on the size of the dose. The data are conflicting on this account, however, with suggestions of both faster and slower repair after larger doses. Indeed, experiments that have been explicitly designed to test this hypothesis show either no effect (gut, spinal cord), faster repair after higher doses (lung, kidney), or slower repair after higher doses (skin). Monoexponential repair appears to be a fairly accurate description that provides an approximation to a more complicated picture, the elucidation of whose details will, however, require very careful and extensive experimental study. (author). 30 refs.; 1 fig
Diffusion Influenced Adsorption Kinetics.
Miura, Toshiaki; Seki, Kazuhiko
2015-08-27
When the kinetics of adsorption is influenced by the diffusive flow of solutes, the solute concentration at the surface is influenced by the surface coverage of solutes, which is given by the Langmuir-Hinshelwood adsorption equation. The diffusion equation with the boundary condition given by the Langmuir-Hinshelwood adsorption equation leads to the nonlinear integro-differential equation for the surface coverage. In this paper, we solved the nonlinear integro-differential equation using the Grünwald-Letnikov formula developed to solve fractional kinetics. Guided by the numerical results, analytical expressions for the upper and lower bounds of the exact numerical results were obtained. The upper and lower bounds were close to the exact numerical results in the diffusion- and reaction-controlled limits, respectively. We examined the validity of the two simple analytical expressions obtained in the diffusion-controlled limit. The results were generalized to include the effect of dispersive diffusion. We also investigated the effect of molecular rearrangement of anisotropic molecules on surface coverage.
Chemical kinetics and reaction mechanism
International Nuclear Information System (INIS)
Jung, Ou Sik; Park, Youn Yeol
1996-12-01
This book is about chemical kinetics and reaction mechanism. It consists of eleven chapters, which deal with reaction and reaction speed on reaction mechanism, simple reaction by rate expression, reversible reaction and simultaneous reaction, successive reaction, complicated reaction mechanism, assumption for reaction mechanism, transition state theory, successive reaction and oscillating reaction, reaction by solution, research method high except kinetics on reaction mechanism, high reaction of kinetics like pulsed radiolysis.
Chemical kinetics of gas reactions
Kondrat'Ev, V N
2013-01-01
Chemical Kinetics of Gas Reactions explores the advances in gas kinetics and thermal, photochemical, electrical discharge, and radiation chemical reactions. This book is composed of 10 chapters, and begins with the presentation of general kinetic rules for simple and complex chemical reactions. The next chapters deal with the experimental methods for evaluating chemical reaction mechanisms and some theories of elementary chemical processes. These topics are followed by discussions on certain class of chemical reactions, including unimolecular, bimolecular, and termolecular reactions. The rema
Adsorption analysis equilibria and kinetics
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
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)
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
Energy Technology Data Exchange (ETDEWEB)
Petruzzi, Alessandro; D' Auria, Francesco [University of Pisa, San Piero a Grado (Italy). Nuclear Research Group San Piero a Grado (GRNSPG); Galetti, Regina, E-mail: regina@cnen.gov.b [National Commission for Nuclear Energy (CNEN), Rio de Janeiro, RJ (Brazil); Bajs, Tomislav [University of Zagreb (Croatia). Fac. of Electrical Engineering and Computing. Dept. of Power Systems; Reventos, Francesc [Technical University of Catalonia, Barcelona (Spain). Dept. of Physics and Nuclear Engineering
2011-07-01
Thermal-hydraulic system computer codes are extensively used worldwide for analysis of nuclear facilities by utilities, regulatory bodies, nuclear power plant designers, vendors, and research organizations. Computer code user represents a source of uncertainty that may significantly affect the results of system code calculations. Code user training and qualification represent an effective means for reducing the variation of results caused by the application of the codes by different users. This paper describes the experience in applying a systematic approach to training code users who, upon completion of the training, should be able to perform calculations making the best possible use of the capabilities of best estimate codes. In addition, this paper presents the organization and the main features of the 3D S.UN.COP (scaling, uncertainty, and 3D coupled code calculations) seminars during which particular emphasis is given to practical applications in connection with the licensing process of best estimate plus uncertainty methodologies, showing the designer, utility and regulatory approaches. (author)
International Nuclear Information System (INIS)
Petruzzi, Alessandro; D'Auria, Francesco; Galetti, Regina; Bajs, Tomislav; Reventos, Francesc
2011-01-01
Thermal-hydraulic system computer codes are extensively used worldwide for analysis of nuclear facilities by utilities, regulatory bodies, nuclear power plant designers, vendors, and research organizations. Computer code user represents a source of uncertainty that may significantly affect the results of system code calculations. Code user training and qualification represent an effective means for reducing the variation of results caused by the application of the codes by different users. This paper describes the experience in applying a systematic approach to training code users who, upon completion of the training, should be able to perform calculations making the best possible use of the capabilities of best estimate codes. In addition, this paper presents the organization and the main features of the 3D S.UN.COP (scaling, uncertainty, and 3D coupled code calculations) seminars during which particular emphasis is given to practical applications in connection with the licensing process of best estimate plus uncertainty methodologies, showing the designer, utility and regulatory approaches. (author)
Ruan, Zhongyuan; Iñiguez, Gerardo; Karsai, Márton; Kertész, János
2015-11-01
Diffusion of information, behavioral patterns or innovations follows diverse pathways depending on a number of conditions, including the structure of the underlying social network, the sensitivity to peer pressure and the influence of media. Here we study analytically and by simulations a general model that incorporates threshold mechanism capturing sensitivity to peer pressure, the effect of "immune" nodes who never adopt, and a perpetual flow of external information. While any constant, nonzero rate of dynamically introduced spontaneous adopters leads to global spreading, the kinetics by which the asymptotic state is approached shows rich behavior. In particular, we find that, as a function of the immune node density, there is a transition from fast to slow spreading governed by entirely different mechanisms. This transition happens below the percolation threshold of network fragmentation, and has its origin in the competition between cascading behavior induced by adopters and blocking due to immune nodes. This change is accompanied by a percolation transition of the induced clusters.
The temperature hydration kinetics
Directory of Open Access Journals (Sweden)
Mircea Oroian
2017-07-01
Full Text Available The aim of this study is to evaluate the hydration kinetics of lentil seeds (Lens culinaris in water at different temperatures (25, 32.5, 40, 55, 70 and 80 °C for assessing the adequacy of models for describing the absorption phenomena during soaking. The diffusion coefficient values were calculated using Fick’s model for spherical and hemispherical geometries and the values were in the range of 10−6 m2/s. The experimental data were fitted to Peleg, Sigmoidal, Weibull and Exponential models. The models adequacy was determined using regression coefficients (R2, root mean square error (RMSE and reduced chi-square (χ2. The Peleg model is the suitable one for predicting the experimental data. Temperature had a positive and significant effect on the water absorption capacities and absorption was an endothermic process.
Kinetic theory of Jeans instability
Trigger, S.A.; Ershkovic, A.I.; Heijst, van G.J.F.; Schram, P.P.J.M.
2004-01-01
Kinetic treatment of the Jeans gravitational instability, with collisions taken into account, is presented. The initial-value problem for the distribution function which obeys the kinetic equation, with the collision integral conserving the number of particles, is solved. Dispersion relation is
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
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 ...
Kinetics model development of cocoa bean fermentation
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.
Kinetic inductance detectors (KIDs) for the SAFARI instrument on SPICA
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.
International Nuclear Information System (INIS)
Inada, Mitsuo; Nishikawa, Mitsushige; Naito, Kimikazu; Ishii, Hitoshi; Tanaka, Kiyoshi
1980-01-01
Kinetics of thyroid hormones were outlined, and recent progress in metabolism of these hormones was also described. Recently, not only T 4 and T 3 but also rT 3 , 3,3'-T 2 , 3',5'-T 2 , and 3,5-T 2 can be measured by RIA. To clarify metabolic pathways of these hormones, metabolic clearance rate and production rate of these hormones were calculated. As single-compartment analysis was insufficient to clarify disappearance curves of thyroid hormones in blood such as T 3 and T 2 of which metabolic speed was so fast, multi-compartment analysis or non-compartment analysis were also performed. Thyroid hormones seemed to be measured more precisely by constant infusion method. At the first step of T 4 metabolism, T 3 was formed by 5'-monodeiodination of T 4 , and rT 3 was formed by 5-monodeiodination of T 4 . As metabolic pathways of T 3 and rT 3 , conversion of them to 3,3'-T 2 or to 3',5'-T 2 and 3,5-T 2 was supposed. This subject will be an interesting research theme in future. (Tsunoda, M.)
Group-kinetic theory of turbulence
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.
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.)
Domain growth kinetics in stratifying foam films
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.
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.
Kinetic effects on magnetohydrodynamic phenomena
International Nuclear Information System (INIS)
Naito, Hiroshi; Matsumoto, Taro
2001-01-01
Resistive and ideal magnetohydrodynamic (MHD) theories are insufficient to adequately explain MHD phenomena in the high-temperature plasma. Recent progress in numerical simulations concerning kinetic effects on magnetohydrodynamic phenomena is summarized. The following three topics are studied using various models treating extended-MHD phenomena. (1) Kinetic modifications of internal kink modes in tokamaks with normal and reversed magnetic shear configurations. (2) Temporal evolution of the toroidal Alfven eigenmode and fishbone mode in tokamaks with energetic ions. (3) Kinetic stabilization of a title mode in field-reversed configurations by means of anchoring ions and beam ions. (author)
CH4/air homogeneous autoignition: A comparison of two chemical kinetics mechanisms
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
Catastrophic Disruption Threshold and Maximum Deflection from Kinetic Impact
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.
Bicarbonate kinetics in Indian males
Indian Academy of Sciences (India)
Madhu
ized kinetics of bicarbonate using a three-compartment model, to assess which compartmental fluxes changed dur- .... total VCO2 was < 3 % and the average respiratory quotient ..... a part of the nonrespiratory losses of 13CO2 occur to this.
Kinetic equations in dirty superconductors
International Nuclear Information System (INIS)
Kraehenbuehl, Y.
1981-01-01
Kinetic equations for superconductors in the dirty limit are derived using a method developed for superfluid systems, which allows a systematic expansion in small parameters; exact charge conservation is obeyed. (orig.)
Cell kinetics and therapeutic efficiency
International Nuclear Information System (INIS)
Andreeff, M.; Abenhardt, W.; Gruner, B.; Stoffner, D.; Mainz Univ.
1976-01-01
The study shows that cell kinetics effects correlate with the effects of cytostatic drugs in the tumour model investigated here. It should, however, be noted that even genetically related tumour cell types may react differently to the same cytostatic drug, and that the cell kinetics effects, due to the changes in the cell cycle, cannot be predicted but should be followed with a very fast method, e.g. sequential flan fluorescence cytophotometry, for optimal therapeutic results. (orig./GSE) [de
Directory of Open Access Journals (Sweden)
Bruno Botelho Saléh
2009-01-01
temperature were: 44, 35, 30, 26 and 20 hours, after the system stabilization phase, with atemperature range varying from 24.8 ± 1.8ºC. The reactor volume was 394 L. From the COD (mg L-1 data, COD t (mg L-1, Total Fixed and Volatile Solids (mg L-1, Temperature (oC, Flow rate (L day-1, and Sludge Profile (Total Volatile Solids, mg L-1, monitored along all the research period in a pilot scale in each, the study was conducted in order to obtain the following kinetic parameters: yield coefficient ‘Y’ ‘(mg DQO mg SVT-1 d-1, the decay coefficient ‘Kd’(d-1, and maximum growth rate ‘μmáx’(d-1 and the limited growth rate ‘Ks’(mg DQO L-1. The determined kinetic parameters were based on linear regression studies, giving technical support to the physical-chemical data collected during system operation.
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
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.
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
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.
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.
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
Towards scale-independent land-surface flux estimates in Noah-MP
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
Kinetic Theory of Granular Gases
Energy Technology Data Exchange (ETDEWEB)
Trizac, Emmanuel [Center of Theoretical Biological Physics, UC San Diego, La Jolla, CA 92093-0374 (United States); Laboratoire de Physique Theorique et Modeles Statistiques, Campus Universitaire, 91405 Orsay (France)
2005-11-25
inelasticity of inter-grain encounters-as velocity independent is inconsistent with the mechanical point of view. An asymptotic expression for the impact velocity dependence of {epsilon} is therefore derived for visco-elastic spheres. The important inelastic Boltzmann equation is introduced in part II and the associated velocity distribution characterized for a force-free medium (so-called free cooling regime). Transport processes can then be analyzed in part III at the single particle level, and part IV from a more macroscopic viewpoint. The corresponding Chapman-Enskog-like hydrodynamic approach is worked out in detail, in a clear fashion. Finally, the tendency of granular gases to develop instabilities is illustrated in part V where the hydrodynamic picture plays a pivotal role. This book clearly sets the stage. For the sake of simplicity, the authors have discarded some subtle points, such as the open questions underlying the hydrodynamic description (why include the temperature among the hydrodynamic modes, and what about the separation of space and time scales between kinetic and hydrodynamic excitations?). Such omissions are understandable. To a certain extent however, the scope of the book is centered on previous work by the authors, and I have a few regrets. Special emphasis is put on the (variable {epsilon}) visco-elastic model, which enhances the technical difficulty of the presentation. On the other hand, the important physical effects including scaling laws, hydrodynamic behaviour and structure formation, can be understood in two steps, from the results derived within the much simpler constant {epsilon} model, allowing subsequently {epsilon} to depend on the granular temperature. The authors justify their choice with the inconsistency of the constant {epsilon} route. The improvements brought by the visco-elastic model remain to be assessed, since the rotational degrees of freedom, discarded in the book, play an important role and require due consideration of both
Kinetic Theory of Granular Gases
International Nuclear Information System (INIS)
Trizac, Emmanuel
2005-01-01
inter-grain encounters-as velocity independent is inconsistent with the mechanical point of view. An asymptotic expression for the impact velocity dependence of ε is therefore derived for visco-elastic spheres. The important inelastic Boltzmann equation is introduced in part II and the associated velocity distribution characterized for a force-free medium (so-called free cooling regime). Transport processes can then be analyzed in part III at the single particle level, and part IV from a more macroscopic viewpoint. The corresponding Chapman-Enskog-like hydrodynamic approach is worked out in detail, in a clear fashion. Finally, the tendency of granular gases to develop instabilities is illustrated in part V where the hydrodynamic picture plays a pivotal role. This book clearly sets the stage. For the sake of simplicity, the authors have discarded some subtle points, such as the open questions underlying the hydrodynamic description (why include the temperature among the hydrodynamic modes, and what about the separation of space and time scales between kinetic and hydrodynamic excitations?). Such omissions are understandable. To a certain extent however, the scope of the book is centered on previous work by the authors, and I have a few regrets. Special emphasis is put on the (variable ε) visco-elastic model, which enhances the technical difficulty of the presentation. On the other hand, the important physical effects including scaling laws, hydrodynamic behaviour and structure formation, can be understood in two steps, from the results derived within the much simpler constant ε model, allowing subsequently ε to depend on the granular temperature. The authors justify their choice with the inconsistency of the constant ε route. The improvements brought by the visco-elastic model remain to be assessed, since the rotational degrees of freedom, discarded in the book, play an important role and require due consideration of both tangential and normal restitution
Chemistry resolved kinetic flow modeling of TATB based explosives
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.
Continuum-Kinetic Models and Numerical Methods for Multiphase Applications
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.
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.
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
Crystallization Kinetics within a Generic Modelling Framework
DEFF Research Database (Denmark)
Meisler, Kresten Troelstrup; von Solms, Nicolas; Gernaey, Krist
2013-01-01
An existing generic modelling framework has been expanded with tools for kinetic model analysis. The analysis of kinetics is carried out within the framework where kinetic constitutive models are collected, analysed and utilized for the simulation of crystallization operations. A modelling...... procedure is proposed to gain the information of crystallization operation kinetic model analysis and utilize this for faster evaluation of crystallization operations....
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.
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)
Kinetics of niobium carbide precipitation in ferrite
International Nuclear Information System (INIS)
Gendt, D.
2001-01-01
The aim of this study is to develop a NbC precipitation modelling in ferrite. This theoretical study is motivated by the fact it considers a ternary system and focus on the concurrence of two different diffusion mechanisms. An experimental study with TEP, SANS and Vickers micro-hardening measurements allows a description of the NbC precipitation kinetics. The mean radius of the precipitates is characterized by TEM observations. To focus on the nucleation stage, we use the Tomographic Atom Probe that analyses, at an atomistic scale, the position of the solute atoms in the matrix. A first model based on the classical nucleation theory and the diffusion-limited growth describes the precipitation of spherical precipitates. To solve the set of equations, we use a numerical algorithm that furnishes an evaluation of the precipitated fraction, the mean radius and the whole size distribution of the particles. The parameters that are the interface energy, the solubility product and the diffusion coefficients are fitted with the data available in the literature and our experimental results. It allows a satisfactory agreement as regards to the simplicity of the model. Monte Carlo simulations are used to describe the evolution of a ternary alloy Fe-Nb-C on a cubic centred rigid lattice with vacancy and interstitial mechanisms. This is realized with an atomistic description of the atoms jumps and their related frequencies. The model parameters are fitted with phase diagrams and diffusion coefficients. For the sake of simplicity, we consider that the precipitation of NbC is totally coherent and we neglect any elastic strain effect. We can observe different kinetic paths: for low supersaturations, we find an expected precipitation of NbC but for higher supersaturations, the very fast diffusivity of carbon atoms conducts to the nucleation of iron carbide particles. We establish that the occurrence of this second phenomenon depends on the vacancy arrival kinetics and can be related
Thermodynamics and kinetics of vesicles formation processes.
Guida, Vincenzo
2010-12-15
Vesicles are hollow aggregates, composed of bilayers of amphiphilic molecules, dispersed into and filled with a liquid solvent. These aggregates can be formed either as equilibrium or as out of equilibrium meta-stable structures and they exhibit a rich variety of different morphologies. The surprising richness of structures, the vast range of industrial applications and the presence of vesicles in a number of biological systems have attracted the interest of numerous researchers and scientists. In this article, we review both the thermodynamics and the kinetics aspects of the phenomena of formation of vesicles. We start presenting the thermodynamics of bilayer membranes formation and deformation, with the aim of deriving the conditions for the existence of equilibrium vesicles. Specifically, we use the results from continuum thermodynamics to discuss the possibility of formation of stable equilibrium vesicles, from both mixed amphiphiles and single component systems. We also link the bilayer membrane properties to the molecular structure of the starting amphiphiles. In the second part of this article, we focus on the dynamics and kinetics of vesiculation. We review the process of vesicles formation both from planar lamellar phase under shear and from isotropic micelles. In order to clarify the physical mechanisms of vesicles formation, we continuously draw a parallel between emulsification and vesiculation processes. Specifically, we compare the experimental results, the driving forces and the relative scaling laws identified for the two processes. Describing the dynamics of vesicles formation, we also discuss why non equilibrium vesicles can be formed by kinetics control and why they are meta-stable. Understanding how to control the properties, the stability and the formation process of vesicles is of fundamental importance for a vast number of industrial applications. Copyright © 2009. Published by Elsevier B.V.
Simulation of ITG instabilities with fully kinetic ions and drift-kinetic electrons in tokamaks
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.
Mark, T A; Gallistel, C R
1994-01-01
Rats responded on concurrent variable interval schedules of brain stimulation reward in 2-trial sessions. Between trials, there was a 16-fold reversal in the relative rate of reward. In successive, narrow time windows, the authors compared the ratio of the times spent on the 2 levers to the ratio of the rewards received. Time-allocation ratios tracked wide, random fluctuations in the reward ratio. The adjustment to the midsession reversal in relative rate of reward was largely completed within 1 interreward interval on the leaner schedule. Both results were unaffected by a 16-fold change in the combined rates of reward. The large, rapid, scale-invariant shifts in time-allocation ratios that underlie matching behavior imply that the subjective relative rate of reward can be determined by a very few of the most recent interreward intervals and that this estimate can directly determine the ratio of the expected stay durations.
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.
Ultrafast Carbon Dioxide Sorption Kinetics Using Lithium Silicate Nanowires.
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.
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)
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
Transformation kinetics for nucleus clusters
International Nuclear Information System (INIS)
Villa, Elena; Rios, Paulo R.
2009-01-01
A rigorous mathematical approach based on stochastic geometry concepts is presented to extend previous Johnson-Mehl, Avrami, Kolmogorov treatment of transformation kinetics to situations in which nuclei are not homogeneously located in space but are located in clusters. An exact analytical solution is presented here for the first time assuming that nucleation sites follow a Matern cluster process. The influence of Matern cluster process parameters on subsequent growth kinetics and the microstructural path are illustrated by means of numerical examples. Moreover, using the superposition principle, exact analytical solutions are also obtained when nucleation takes place by a combination of a Matern cluster process and an inhomogeneous Poisson point process. The new solutions presented here significantly increase the number of exactly solvable cases available to formal kinetics.
Chapter 22. Cell population kinetics
International Nuclear Information System (INIS)
Tubiana, M.
1975-01-01
The main contribution of radioisotopes to the development of a new discipline, cell population kinetics, was shown. The aim of this science is to establish, for each tissue of the organism, the life span of its component cells and the mechanisms governing its growth, its differentiation and its homeostasis with respect to outside attacks. Labelling techniques have been used to follow the cells during these various processes. The case of non-dividing cells was considered first, taking as example, the red blood cells of which the lifetime was studied, after which the case of proliferating cells was examined using 14 C- or tritium-labelled thymidine. The methods used to measure the cell cycle parameters were described: labelled-mitosis curve method, double-labelling and continuous labelling methods, proliferation coefficient measurement. Cell kinetics were shown to allow an interpretation of radiobiological data. Finally the practical value of cell kinetics research was shown [fr
Selected readings in chemical kinetics
Back, Margaret H
2013-01-01
Selected Readings in Chemical Kinetics covers excerpts from 12 papers in the field of general and gas-phase kinetics. The book discusses papers on the laws of connexion between the conditions of a chemical change and its amount; on the reaction velocity of the inversion of the cane sugar by acids; and the calculation in absolute measure of velocity constants and equilibrium constants in gaseous systems. The text then tackles papers on simple gas reactions; on the absolute rate of reactions in condensed phases; on the radiation theory of chemical action; and on the theory of unimolecular reacti
Chemical kinetics and reaction dynamics
Houston, Paul L
2006-01-01
This text teaches the principles underlying modern chemical kinetics in a clear, direct fashion, using several examples to enhance basic understanding. It features solutions to selected problems, with separate sections and appendices that cover more technical applications.Each chapter is self-contained and features an introduction that identifies its basic goals, their significance, and a general plan for their achievement. This text's important aims are to demonstrate that the basic kinetic principles are essential to the solution of modern chemical problems, and to show how the underlying qu
Chemical kinetics and combustion modeling
Energy Technology Data Exchange (ETDEWEB)
Miller, J.A. [Sandia National Laboratories, Livermore, CA (United States)
1993-12-01
The goal of this program is to gain qualitative insight into how pollutants are formed in combustion systems and to develop quantitative mathematical models to predict their formation rates. The approach is an integrated one, combining low-pressure flame experiments, chemical kinetics modeling, theory, and kinetics experiments to gain as clear a picture as possible of the process in question. These efforts are focused on problems involved with the nitrogen chemistry of combustion systems and on the formation of soot and PAH in flames.
Deuteration kinetics of the graphene
Energy Technology Data Exchange (ETDEWEB)
Nefedov, Alexei; Woell, Christof [KIT, Leopoldshafen (Germany); Paris, Alessio; Calliari, Lucia [FBK-CMM, Trento (Italy); Verbitskiy, Nikolay [MSU, Moscow (Russian Federation); University of Vienna, Vienna (Austria); Wang, Ying; Irle, Stephan [Nagoya University, Nagoya (Japan); Fedorov, Alexander [IFW Dresden, Dresden (Germany); St. Petersburg University, St. Petersburg (Russian Federation); Haberer, Danny; Knupfer, Martin; Buechner, Bernd [IFW Dresden, Dresden (Germany); Oetzelt, Martin [BESSY II, Berlin (Germany); Petaccia, Luca [Elettra, Trieste (Italy); Usachov, Dmitry [St. Petersburg University, St. Petersburg (Russian Federation); Vyalikh, Denis [St. Petersburg University, St. Petersburg (Russian Federation); TU Dresden, Dresden (Germany); Sagdev, Hermann [MPI fuer Polymerforschung, Mainz (Germany); Yashina, Lada [MSU, Moscow (Russian Federation); Grueneis, Alexander [IFW Dresden, Dresden (Germany); University of Vienna, Vienna (Austria)
2013-07-01
The kinetics of the hydrogenation/deuteration reaction of graphene was studied by time-dependent x-ray photoemission spectroscopy (XPS). The graphene layer was then exposed to hydrogen or deuterium atomic gas beams, obtained by thermal cracking in a tungsten capillary at T=3000 K. After each step XPS of the C1s line was performed in order to measure H/C and D/C ratios. We have observed a strong kinetic isotope effect for the hydrogenation/deuteration reaction leading to substantially faster adsorption and higher maximum D/C ratios as compared to H/C (D/C 35% vs. H/C 25%).
Blood platelet kinetics and platelet transfusion.
Aster, Richard H
2013-11-01
The discovery of citrate anticoagulant in the 1920s and the development of plastic packs for blood collection in the 1960s laid the groundwork for platelet transfusion therapy on a scale not previously possible. A major limitation, however, was the finding that platelet concentrates prepared from blood anticoagulated with citrate were unsuitable for transfusion because of platelet clumping. We found that this could be prevented by simply reducing the pH of platelet-rich plasma to about 6.5 prior to centrifugation. We used this approach to characterize platelet kinetics and sites of platelet sequestration in normal and pathologic states and to define the influence of variables such as anticoagulant and ABO incompatibility on post-transfusion platelet recovery. The "acidification" approach enabled much wider use of platelet transfusion therapy until alternative means of producing concentrates suitable for transfusion became available.
Crystallization kinetics of the borax decahydrate
Ceyhan, A. A.; Sahin, Ö.; Bulutcu, A. N.
2007-03-01
The growth and dissolution rates of borax decahydrate have been measured as a function of supersaturation for various particle sizes at different temperature ranges of 13 and 50 °C in a laboratory-scale fluidized bed crystallizer. The values of mass transfer coefficient, K, reaction rate constant, kr and reaction rate order, r were determined. The relative importances of diffusion and integration resistance were described by new terms named integration and diffusion concentration fraction. It was found that the overall growth rate of borax decahydrate is mainly controlled by integration (reaction) steps. It was also estimated that the dissolution region of borax decahydrate, apart from other materials, is controlled by diffusion and surface reaction. Increasing the temperature and particle size cause an increase in the values of kinetic parameters ( Kg, kr and K). The activation energies of overall, reaction and mass transfer steps were determined as 18.07, 18.79 and 8.26 kJmol -1, respectively.
Generic analysis of kinetically driven inflation
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.
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.
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....
Kinetics of particle ensembles with variable charges
International Nuclear Information System (INIS)
Ivlev, A. V.; Zhdanov, S.; Klumov, B.; Morfill, G.; Tsytovich, V. N.; Angelis, U. de
2005-01-01
One of the remarkable features distinguishing complex (dusty) plasmas from usual plasmas is that charges on the grains are not constant, but fluctuate in time around some equilibrium value which, in then, is some function of spatial coordinates. Generally, ensembles of particles with variable charges are non-Hamiltonian systems where the mutual collisions do not conserve energy. Therefore, the use of thermodynamic potentials to describe such systems is not really valid. An appropriate way to investigate their evolution is to employ the kinetic approach. We studied (both analytical and numerically) two cases: (a) inhomogeneous charge-it depends on the particle coordinate but does not change in time, and (b)fluctuating charge-it changes in time around the equilibrium value, which is constant in space. For both cases we used the Fokker-Planck approach to derive the collision integral which describes the momentum and energy transfer in mutual particle collisions as well as in the collisions with neutrals. We obtained that the mean particle energy grows in time when the neutral friction is below a certain threshold (as shown in Fig. 1). In case (a) the energy changes as ∞(t c r-t)''2, in case (b) it scales as ∞(t c r-t)''-1, exhibiting the explosion-like growth with t c r a critical time scale. The obtained solutions can be of significant importance for laboratory dusty plasmas as well as for space plasma environments, where inhomogeneous charge distributions are often present. For instance, the instability can cause dust heating in low-pressure complex plasma experiments, it can be responsible for the melting of plasma crystals, it might operate in protoplanetary disks and effect the kinetics of the planet formation, etc. (Author)
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.
Multi-scale analysis of compressible fluctuations in the solar wind
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.
Energy Technology Data Exchange (ETDEWEB)
Song, Hua [Joint Center for Earth Systems Technology, University of Maryland, Baltimore County, Baltimore, Maryland; Zhang, Zhibo [Joint Center for Earth Systems Technology, and Physics Department, University of Maryland, Baltimore County, Baltimore, Maryland; Ma, Po-Lun [Atmospheric Sciences and Global Change Division, Pacific Northwest National Laboratory, Richland, Washington; Ghan, Steven J. [Atmospheric Sciences and Global Change Division, Pacific Northwest National Laboratory, Richland, Washington; Wang, Minghuai [Institute for Climate and Global Change Research, and School of Atmospheric Sciences, Nanjing University, Nanjing, China
2018-03-01
This paper presents a two-step evaluation of the marine boundary layer (MBL) cloud properties from two Community Atmospheric Model (version 5.3, CAM5) simulations, one based on the CAM5 standard parameterization schemes (CAM5-Base), and the other on the Cloud Layers Unified By Binormals (CLUBB) scheme (CAM5-CLUBB). In the first step, we compare the cloud properties directly from model outputs between the two simulations. We find that the CAM5-CLUBB run produces more MBL clouds in the tropical and subtropical large-scale descending regions. Moreover, the stratocumulus (Sc) to cumulus (Cu) cloud regime transition is much smoother in CAM5-CLUBB than in CAM5-Base. In addition, in CAM5-Base we find some grid cells with very small low cloud fraction (<20%) to have very high in-cloud water content (mixing ratio up to 400mg/kg). We find no such grid cells in the CAM5-CLUBB run. However, we also note that both simulations, especially CAM5-CLUBB, produce a significant amount of “empty” low cloud cells with significant cloud fraction (up to 70%) and near-zero in-cloud water content. In the second step, we use satellite observations from CERES, MODIS and CloudSat to evaluate the simulated MBL cloud properties by employing the COSP satellite simulators. We note that a feature of the COSP-MODIS simulator to mimic the minimum detection threshold of MODIS cloud masking removes much more low clouds from CAM5-CLUBB than it does from CAM5-Base. This leads to a surprising result — in the large-scale descending regions CAM5-CLUBB has a smaller COSP-MODIS cloud fraction and weaker shortwave cloud radiative forcing than CAM5-Base. A sensitivity study suggests that this is because CAM5-CLUBB suffers more from the above-mentioned “empty” clouds issue than CAM5-Base. The COSP-MODIS cloud droplet effective radius in CAM5-CLUBB shows a spatial increase from coastal St toward Cu, which is in qualitative agreement with MODIS observations. In contrast, COSP-MODIS cloud droplet
Elements of plasma kinetic theory
International Nuclear Information System (INIS)
Guasp, J.
1976-01-01
The physical foundations of plasma kinetic equations are exposed inside a series of seminars on plasma and fusion physics. The Vlasov and collisional equations with its application range have been discussed. The momenta equations for the macroscopic magnitudes and the more usual approximations have been obtained: two fluid equations for cold and warm plasmas, magnetohydrodynamic equations and the double-adiabatic theory. (author)
Kinetic studies on leucite precursors
Czech Academy of Sciences Publication Activity Database
Mrázová, M.; Kloužková, A.; Kohoutková, Martina
2009-01-01
Roč. 7, č. 2 (2009), s. 205-210 ISSN 1895-1066 R&D Projects: GA MPO 2A-1TP1/063 Institutional research plan: CEZ:AV0Z40320502 Keywords : leucite * crystallization kinetics * hydrothermal Subject RIV: JH - Ceramics, Fire-Resistant Materials and Glass Impact factor: 1.065, year: 2009
Some parameters of radionuclide kinetics
International Nuclear Information System (INIS)
Prokof'ev, O.N.; Smirnov, V.A.; Belen'kij, E.I.
1978-01-01
Numerical values of the rates of radionuclide absorption into, and elimination from, bovine organs were determined. Kinetic rate constants of radionuclides such as 89 Sr, 99 Mo, 131 I, 132 Tl, and 140 Be were calculated. The calculations were done for muscle, liver, and kidney
Solving Simple Kinetics without Integrals
de la Pen~a, Lisandro Herna´ndez
2016-01-01
The solution of simple kinetic equations is analyzed without referencing any topic from differential equations or integral calculus. Guided by the physical meaning of the rate equation, a systematic procedure is used to generate an approximate solution that converges uniformly to the exact solution in the case of zero, first, and second order…
Robustness Analysis of Kinetic Structures
DEFF Research Database (Denmark)
Kirkegaard, Poul Henning; Sørensen, John Dalsgaard
2009-01-01
Kinetic structures in architecture follows a new trend which is emerging in responsive architecture coined by Nicholas Negroponte when he proposed that architecture may benefit from the integration of computing power into built spaces and structures, and that better performing, more rational...
DEFF Research Database (Denmark)
Villadsen, John
2015-01-01
his chapter predicts the specific rates of reaction by means of a mathematical expression, the kinetics of the reaction. This expression can be derived through a mechanistic interpretation of an enzymatically catalyzed reaction, but it is essentially of empirical nature for cell reactions. The mo...
Resonance transport and kinetic entropy
International Nuclear Information System (INIS)
Ivanov, Yu.B.; Knoll, J.; Voskresensky, D.N.
2000-01-01
We continue the description of the dynamics of unstable particles within the real-time formulation of nonequilibrium field theory initiated in a previous paper . There we suggest to use Baym's PHI-functional method in order to achieve approximation schemes with 'built in' consistency with respect to conservation laws and thermodynamics even in the case of particles with finite damping width. Starting from Kadanoff-Baym equations we discuss a consistent first order gradient approach to transport which preserves the PHI-derivable properties. The validity conditions for the resulting quantum four-phase-space kinetic theory are discussed under the perspective to treat particles with broad damping widths. This non-equilibrium dynamics naturally includes all those quantum features already inherent in the corresponding equilibrium limit (e.g. Matsubara formalism) at the same level of PHI-derivable approximation. Various collision-term diagrams are discussed including those of higher order which lead to memory effects. As an important novel part we derive a generalized nonequilibrium expression for the kinetic entropy flow, which includes contributions from fluctuations and mass-width effects. In special cases an H-theorem is derived implying that the entropy can only increase with time. Memory effects in the kinetic terms provide contributions to the kinetic entropy flow that in the equilibrium limit recover the famous bosonic type T 3 lnT correction to the specific heat in the case of Fermi liquids like Helium-3
Kinetic modeling of Nernst effect in magnetized hohlraums
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...
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
Liu, X.; Zhang, M.; Zhang, D.; Wang, Z.; Wang, Y.
2017-12-01
Mixed-phase clouds are persistently observed over the Arctic and the phase partitioning between cloud liquid and ice hydrometeors in mixed-phase clouds has important impacts on the surface energy budget and Arctic climate. In this study, we test the NCAR Community Atmosphere Model Version 5 (CAM5) with the single-column and weather forecast configurations and evaluate the model performance against observation data from the DOE Atmospheric Radiation Measurement (ARM) Program's M-PACE field campaign in October 2004 and long-term ground-based multi-sensor remote sensing measurements. Like most global climate models, we find that CAM5 also poorly simulates the phase partitioning in mixed-phase clouds by significantly underestimating the cloud liquid water content. Assuming pocket structures in the distribution of cloud liquid and ice in mixed-phase clouds as suggested by in situ observations provides a plausible solution to improve the model performance by reducing the Wegner-Bergeron-Findeisen (WBF) process rate. In this study, the modification of the WBF process in the CAM5 model has been achieved with applying a stochastic perturbation to the time scale of the WBF process relevant to both ice and snow to account for the heterogeneous mixture of cloud liquid and ice. Our results show that this modification of WBF process improves the modeled phase partitioning in the mixed-phase clouds. The seasonal variation of mixed-phase cloud properties is also better reproduced in the model in comparison with the long-term ground-based remote sensing observations. Furthermore, the phase partitioning is insensitive to the reassignment time step of perturbations.
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.
Some Aspects of Extended Kinetic Equation
Directory of Open Access Journals (Sweden)
Dilip Kumar
2015-09-01
Full Text Available Motivated by the pathway model of Mathai introduced in 2005 [Linear Algebra and Its Applications, 396, 317–328] we extend the standard kinetic equations. Connection of the extended kinetic equation with fractional calculus operator is established. The solution of the general form of the fractional kinetic equation is obtained through Laplace transform. The results for the standard kinetic equation are obtained as the limiting case.
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)
Kinetic modelling of enzymatic starch hydrolysis
Bednarska, K.A.
2015-01-01
Kinetic modelling of enzymatic starch hydrolysis – a summary
K.A. Bednarska
The dissertation entitled ‘Kinetic modelling of enzymatic starch hydrolysis’ describes the enzymatic hydrolysis and kinetic modelling of liquefaction and saccharification of wheat starch.
TopoSCALE v.1.0: downscaling gridded climate data in complex terrain
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
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...
Effect of LES models on the entrainment of a passive scalar in a turbulent planar jet
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.
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
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....
Prediction of free turbulent mixing using a turbulent kinetic energy method
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.
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...
Kinetic energy budgets near the turbulent/nonturbulent interface in jets
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
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.
Morphogenesis of Kinetic Reciprocal Frames
DEFF Research Database (Denmark)
Parigi, Dario; Sassone, Mario
2011-01-01
Kinetic structures in civil engineering and architecture gained considerable more attention in the very recent years as a practical solution to face time dependant performances. Realized projects are mostly bridges, retractable roofs, while in architecture the trend follows the category of intera......Kinetic structures in civil engineering and architecture gained considerable more attention in the very recent years as a practical solution to face time dependant performances. Realized projects are mostly bridges, retractable roofs, while in architecture the trend follows the category...... (RF) were studied in the past as a practical solution to span distances with shorter elements. Leonardo da Vinci discovered interesting RF patterns and studied three dimensional arch structures for bridges. RF are generally defined as structures that forms closed circuits of forces, and where elements...
Kinetic approach to relativistic dissipation
Gabbana, A.; Mendoza, M.; Succi, S.; Tripiccione, R.
2017-08-01
Despite a long record of intense effort, the basic mechanisms by which dissipation emerges from the microscopic dynamics of a relativistic fluid still elude complete understanding. In particular, several details must still be finalized in the pathway from kinetic theory to hydrodynamics mainly in the derivation of the values of the transport coefficients. In this paper, we approach the problem by matching data from lattice-kinetic simulations with analytical predictions. Our numerical results provide neat evidence in favor of the Chapman-Enskog [The Mathematical Theory of Non-Uniform Gases, 3rd ed. (Cambridge University Press, Cambridge, U.K., 1970)] procedure as suggested by recent theoretical analyses along with qualitative hints at the basic reasons why the Chapman-Enskog expansion might be better suited than Grad's method [Commun. Pure Appl. Math. 2, 331 (1949), 10.1002/cpa.3160020403] to capture the emergence of dissipative effects in relativistic fluids.
Kinetic theory of tearing instability
International Nuclear Information System (INIS)
Hazeltine, R.D.; Dobrott, D.; Wang, T.S.
1975-01-01
The guiding-center kinetic equation with Fokker-Planck collision term is used to study, in cylindrical geometry, a class of dissipative instabilities of which the classical tearing mode is an archetype. Variational solution of the kinetic equation obviates the use of an approximate Ohm's law or adiabatic assumption, as used in previous studies, and it provides a dispersive relation which is uniformly valid for any ratio of wave frequency to collision frequency. One result of using the rigorous collision operator is the prediction of a new instability. This instability, driven by the electron temperature gradient, is predicted to occur under the long mean-free path conditions of present tokamak experiments, and has significant features in common with the kink-like oscillations observed in such experiments
Kinetics of cadmium hydroxide precipitation
International Nuclear Information System (INIS)
Patterson, J.W.; Marani, D.; Luo, B.; Swenson, P.
1987-01-01
This paper presents some preliminary results on the kinetics of Cd(OH)/sub 2/ precipitation, both in the absence and the presence of citric acid as an inhibiting agent. Batch and continuous stirred tank reactor (CSTR) precipitation studies are performed by mixing equal volumes of NaOH and Cd(NO/sub 3/)/sub 2/ solutions, in order to avoid localized supersaturation conditions. The rate of metal removal from the soluble phase is calculated from the mass balance for the CSTR precipitation tests. In addition, precipitation kinetics are studied in terms of nucleation and crystal growth rates, by means of a particle counter that allows a population balance analysis for the precipitation reactor at steady state conditions
Art Engineering and Kinetic Art
Directory of Open Access Journals (Sweden)
Barış Yılmaz
2014-12-01
Full Text Available Performing an art, either by painting or by sculpturing, requires to be interdisciplinary. When an artist creates his/her work of art, the process he/she realizes is supported by different engineering disciplines. Therefore, especially modern artists need to understand engineering science and this results in transforming artists into engineers. Opportunities provided by technology and science enable artists to expand his/her vision and to improve his/her works. Especially kinetic art has become an approach that combines art with engineering. Kinetic art, which is nourished with varied disciplines, is an excellent example to prove that art is interdisciplinary and to show the relationship between artist/art and engineering.
Modeling the isochronal crystallization kinetics
International Nuclear Information System (INIS)
Sahay, S.S.; Krishnan, Karthik
2004-01-01
The classical Johnson-Mehl-Avrami-Kolmogorov (JMAK) model, originally formulated for the isothermal condition, is often used in conjunction with additivity principle for modeling the non-isothermal crystallization kinetics. This approach at times results in significant differences between the model prediction and experimental data. In this article, a modification to this approach has been imposed via an additional functional relationship between the activation energy and heating rate. The methodology has been validated with experimental isochronal crystallization kinetic data in Se 71 Te 20 Sb 9 glass and Ge 20 Te 80 systems. It has been shown that the functional relationship between heating rate and activation energy, ascribed to the reduction in apparent activation energy due to increasing non-isothermality, provides better phenomenological description and therefore improves the prediction capability of the JMAK model under isochronal condition
Muscular Oxygen Uptake Kinetics in Aged Adults.
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.
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)
Bumetanide kinetics in renal failure
International Nuclear Information System (INIS)
Pentikaeinen, P.J.P.; Pasternack, A.; Lampainen, E.; Neuvonen, P.J.; Penttilae, A.
1985-01-01
To study the effects of renal failure on bumetanide kinetics, the authors administered single intravenous doses of 1.0 mg/3.08 microCi 14 C-bumetanide to six healthy subjects and 22 patients with variable degrees of renal failure. The kinetics of 14 C-bumetanide and total 14 C were adequately described by a two-compartment open model in the control subjects and in the patients. The volume of the central compartment and the distribution t1/2 were of the same order in both groups, whereas the mean (+/- SE) volume at steady state was larger (22.1 +/- 1.6 and 16.9 +/- 1.0 L) and the elimination t1/2 was longer (1.9 +/- 0.2 and 1.4 +/- 0.1 hours) in patients with renal failure than in healthy controls. Bumetanide renal clearance was lower (10 +/- 3 and 90 +/- 13 ml/min) in patients than in subjects and correlated with creatinine clearance (r = 0.784) and log serum creatinine level (r = -0.843), whereas nonrenal clearance was significantly higher in the patients (153 +/- 14 and 99 +/- 6 ml/min). Bumetanide total plasma clearance did not significantly change. The non-protein-bound, free fraction of bumetanide was higher in patients and correlated with plasma albumin levels (r = -0.777). The kinetics of total 14 C showed similar but greater changes than those of 14C-bumetanide. Thus the most important changes in bumetanide kinetics in patients with renal failure are low renal clearance and a high free fraction, with a consequent increase in nonrenal clearance, volume of distribution, and elimination t1/2
Production kinetics of zirconium tetrachloride
International Nuclear Information System (INIS)
Sudjoko, D.; Masduki, B.; Sunardjo; Sulistyo, B.
1996-01-01
This research was intended to study the kinetics of zirconium tetrachloride production. The process was carried out in semi continuous reactor, equipped with heater, temperature controller, sublimator and scrubber. The variables investigated were time, temperature and the pellet forming pressure. Within the range of variables studied, the expression of the process in the chemical reaction controller region and diffusion controller region were both presented. (author)
International Nuclear Information System (INIS)
Lombard, R.J.; Mas, D.; Moszkowski, S.A.
1991-01-01
We discuss two expressions for the density of kinetic energy which differ by an integration by parts. Using the Wigner transform we shown that the arithmetic mean of these two terms is closely analogous to the classical value. Harmonic oscillator wavefunctions are used to illustrate the radial dependence of these expressions. We study the differences they induce through effective mass terms when performing self-consistent calculations. (author)
International Nuclear Information System (INIS)
Ristic, M.M.
1962-01-01
Detailed conclusions related to the UO 2 sintering can be drawn from investigating the kinetics of the sintering process. This report gives an thorough analysis of the the data concerned with sintering available in the literature taking into account the Jander and Arrhenius laws. This analysis completes the study of influence of the O/U ratio and the atmosphere on the sintering. Results presented are fundamentals of future theoretical and experimental work related to characterisation of the UO 2 sintering process
Howard, Matt C.
2018-01-01
Scale pretests analyze the suitability of individual scale items for further analysis, whether through judging their face validity, wording concerns, and/or other aspects. The current article reviews scale pretests, separated by qualitative and quantitative methods, in order to identify the differences, similarities, and even existence of the…
KINETIC ALGORITHMS FOR HARBOUR MANAGEMENT
Directory of Open Access Journals (Sweden)
C. M. Gold
2012-07-01
Full Text Available Modern harbour management for a busy port needs to resolve a variety of simultaneous problems. Harbour traffic may be busy and the waterways congested, both by the major shipping and by the attendant harbour tugs. The harbour channel may be narrow and tortuous, and rapidly changing tides may require frequent course adjustments. Navigation aids must be clearly specified and immediately identifiable, in order to permit safe passage for the vessels. This requires a GIS with attributes not easily available with traditional products. The GeoVS system is a kinetic GIS with full three-dimensional visualisation, so that ships, bathymetry and landscape may be viewed in a form that is immediately understandable to both harbour pilots and the harbour authority. The system is kinetic because the data structures used to preserve the topological relationships between ships, seafloor and coastline are able to be maintained on a real-time basis, taking account of ship movement recorded on the compulsory AIS (Automatic Information System beacons. Maintenance of this real-time topology allows for easy detection of potential collisions, as well as real-time bathymetric estimations, necessary to prevent ship grounding in highly tidal environments. The system, based on previous research into kinetic Voronoi diagrams, as well as development of a completely new graphical engine, is now in commercial production, where its advantages over simpler twodimensional models without automatic collision and grounding detection are becoming evident. Other applications are readily envisaged, and will be addressed in the near future.
Oxidation kinetics of corium pool
Energy Technology Data Exchange (ETDEWEB)
Sulatsky, A.A., E-mail: andrei314@mail.ru [Alexandrov Research Institute of Technologies (NITI), Sosnovy Bor (Russian Federation); Smirnov, S.A. [D.V. Efremov Scientific Research Institute of Electrophysical Apparatus (NIIEFA), St. Petersburg (Russian Federation); Granovsky, V.S.; Khabensky, V.B.; Krushinov, E.V.; Vitol, S.A.; Kotova, S.Yu. [Alexandrov Research Institute of Technologies (NITI), Sosnovy Bor (Russian Federation); Fischer, M.; Hellmann, S. [AREVA NP GmbH, Erlangen (Germany); Tromm, W.; Miassoedov, A. [Forschungzentrum Karlsruhe (FZK), Karlsruhe (Germany); Bottomley, D. [EUROPÄISCHE KOMMISSION, Joint Research Centre Institut für Transurane (ITU), Karlsruhe (Germany); Piluso, P. [CEA Cadarache-DEN/DTN/STRI, St.Paul-lez-Durance (France); Barrachin, M. [Institut de Radioprotection et Sûreté Nucléaire, St.Paul-lez-Durance (France)
2013-09-15
Highlights: • The analysis of experimental data on molten corium oxidation was been carried out. • The analysis has revealed the main factors influencing the oxidation kinetics. • The analysis was used for developing a qualitative analytical model. • The numerical modeling has confirmed the results of experimental data analysis. -- Abstract: Experimental, theoretical and numerical studies of oxidation kinetics of an open surface corium pool have been reported. The experiments have been carried out within OECD MASCA program and ISTC METCOR, METCOR-P and EVAN projects. It has been shown that the melt oxidation is controlled by an oxidant supply to the melt free surface from the atmosphere, not by the reducer supply from the melt. The project experiments have not detected any input of the zirconium oxidation kinetics into the process chemistry. The completed analysis puts forward a simple analytical model, which gives an explanation of the main features of melt oxidation process. The numerical modeling results are in good agreement with experimental data and theoretical considerations.
Oxidation kinetics of corium pool
International Nuclear Information System (INIS)
Sulatsky, A.A.; Smirnov, S.A.; Granovsky, V.S.; Khabensky, V.B.; Krushinov, E.V.; Vitol, S.A.; Kotova, S.Yu.; Fischer, M.; Hellmann, S.; Tromm, W.; Miassoedov, A.; Bottomley, D.; Piluso, P.; Barrachin, M.
2013-01-01
Highlights: • The analysis of experimental data on molten corium oxidation was been carried out. • The analysis has revealed the main factors influencing the oxidation kinetics. • The analysis was used for developing a qualitative analytical model. • The numerical modeling has confirmed the results of experimental data analysis. -- Abstract: Experimental, theoretical and numerical studies of oxidation kinetics of an open surface corium pool have been reported. The experiments have been carried out within OECD MASCA program and ISTC METCOR, METCOR-P and EVAN projects. It has been shown that the melt oxidation is controlled by an oxidant supply to the melt free surface from the atmosphere, not by the reducer supply from the melt. The project experiments have not detected any input of the zirconium oxidation kinetics into the process chemistry. The completed analysis puts forward a simple analytical model, which gives an explanation of the main features of melt oxidation process. The numerical modeling results are in good agreement with experimental data and theoretical considerations
Aluminum corrosion product release kinetics
Energy Technology Data Exchange (ETDEWEB)
Edwards, Matt, E-mail: Matthew.Edwards@cnl.ca; Semmler, Jaleh; Guzonas, Dave; Chen, Hui Qun; Toor, Arshad; Hoendermis, Seanna
2015-07-15
Highlights: • Release of Al corrosion product was measured in simulated post-LOCA sump solutions. • Increased boron was found to enhance Al release kinetics at similar pH. • Models of Al release as functions of time, temperature, and pH were developed. - Abstract: The kinetics of aluminum corrosion product release was examined in solutions representative of post-LOCA sump water for both pressurized water and pressurized heavy-water reactors. Coupons of AA 6061 T6 were exposed to solutions in the pH 7–11 range at 40, 60, 90 and 130 °C. Solution samples were analyzed by inductively coupled plasma atomic emission spectroscopy, and coupon samples were analyzed by secondary ion mass spectrometry. The results show a distinct “boron effect” on the release kinetics, expected to be caused by an increase in the solubility of the aluminum corrosion products. New models were developed to describe both sets of data as functions of temperature, time, and pH (where applicable)
Kinetic Simulations of Type II Radio Burst Emission Processes
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.
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.
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.
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.
Suppression of Phase Mixing in Drift-Kinetic Plasma Turbulence
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
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.
Integrated stoichiometric, thermodynamic and kinetic modelling of steady state metabolism.
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.
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.
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.
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
Nonlinear Kinetics on Lattices Based on the Kinetic Interaction Principle
Directory of Open Access Journals (Sweden)
Giorgio Kaniadakis
2018-06-01
Full Text Available Master equations define the dynamics that govern the time evolution of various physical processes on lattices. In the continuum limit, master equations lead to Fokker–Planck partial differential equations that represent the dynamics of physical systems in continuous spaces. Over the last few decades, nonlinear Fokker–Planck equations have become very popular in condensed matter physics and in statistical physics. Numerical solutions of these equations require the use of discretization schemes. However, the discrete evolution equation obtained by the discretization of a Fokker–Planck partial differential equation depends on the specific discretization scheme. In general, the discretized form is different from the master equation that has generated the respective Fokker–Planck equation in the continuum limit. Therefore, the knowledge of the master equation associated with a given Fokker–Planck equation is extremely important for the correct numerical integration of the latter, since it provides a unique, physically motivated discretization scheme. This paper shows that the Kinetic Interaction Principle (KIP that governs the particle kinetics of many body systems, introduced in G. Kaniadakis, Physica A 296, 405 (2001, univocally defines a very simple master equation that in the continuum limit yields the nonlinear Fokker–Planck equation in its most general form.
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
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.
Kinetic modeling of Nernst effect in magnetized hohlraums.
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.
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.
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)
Thermal contact through a two-temperature kinetic Ising chain
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.
The curved kinetic boundary layer of active matter.
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.
Thermodynamic basis for cluster kinetics
DEFF Research Database (Denmark)
Hu, Lina; Bian, Xiufang; Qin, Xubo
2006-01-01
Due to the inaccessibility of the supercooled region of marginal metallic glasses (MMGs) within the experimental time window, we study the cluster kinetics above the liquidus temperature, Tl, to acquire information on the fragility of the MMG systems. Thermodynamic basis for the stability...... of locally ordered structure in the MMG liquids is discussed in terms of the two-order-parameter model. It is found that the Arrhenius activation energy of clusters, h, is proportional to the chemical mixing enthalpy of alloys, Hchem. Fragility of the MMG forming liquids can be described by the ratio...
Kinetics of heterogeneous catalytic reactions
Boudart, Michel
2014-01-01
This book is a critical account of the principles of the kinetics of heterogeneous catalytic reactions in the light of recent developments in surface science and catalysis science. Originally published in 1984. The Princeton Legacy Library uses the latest print-on-demand technology to again make available previously out-of-print books from the distinguished backlist of Princeton University Press. These paperback editions preserve the original texts of these important books while presenting them in durable paperback editions. The goal of the Princeton Legacy Library is to vastly increase acc
Kinetic equations with pairing correlations
International Nuclear Information System (INIS)
Fauser, R.
1995-12-01
The Gorkov equations are derived for a general non-equilibrium system. The Gorkov factorization is generalized by the cumulant expansion of the 2-particle correlation and by a generalized Wick theorem in the case of a perturbation expansion. A stationary solution for the Green functions in the Schwinger-Keldysh formalism is presented taking into account pairing correlations. Especially the effects of collisional broadening on the spectral functions and Green functions is discussed. Kinetic equations are derived in the quasi-particle approximation and in the case of particles with width. Explicit expressions for the self-energies are given. (orig.)
Kinetic theory of radiation effects
International Nuclear Information System (INIS)
Mansur, L.K.
1987-01-01
To help achieve the quantitative and mechanistic understanding of these processes, the kinetic theory of radiation effects has been developed in the DOE basic energy sciences radiation effects and fusion reactor materials programs, as well as in corresponding efforts in other countries. This discipline grapples with a very wide range of phenomena and draws on numerous sub-fields of theory such as defect physics, diffusion, elasticity, chemical reaction rates, phase transformations and thermodynamics. The theory is cast in a mathematical framework of continuum dynamics. Issues particularly relevant to the present inquiry can be viewed from the standpoints of applications of the theory and areas requiring further progress
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
Understanding Yield Anomalies in ICF Implosions via Fully Kinetic Simulations
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
Beyond scale separation in gyrokinetic turbulence
International Nuclear Information System (INIS)
Garbet, X.; Sarazin, Y.; Grandgirard, V.; Dif-Pradalier, G.; Darmet, G.; Ghendrih, Ph.; Angelino, P.; Bertrand, P.; Besse, N.; Gravier, E.; Morel, P.; Sonnendruecker, E.; Crouseilles, N.; Dischler, J.-M.; Latu, G.; Violard, E.; Brunetti, M.; Brunner, S.; Lapillonne, X.; Tran, T.-M.; Villard, L.; Boulet, M.
2007-01-01
This paper presents the results obtained with a set of gyrokinetic codes based on a semi-Lagrangian scheme. Several physics issues are addressed, namely, the comparison between fluid and kinetic descriptions, the intermittent behaviour of flux driven turbulence and the role of large scale flows in toroidal ITG turbulence. The question of the initialization of full-F simulations is also discussed
Falk, C.; And Others
The development of the Maslowian Scale, a method of revealing a picture of one's needs and concerns based on Abraham Maslow's levels of self-actualization, is described. This paper also explains how the scale is supported by the theories of L. Kohlberg, C. Rogers, and T. Rusk. After a literature search, a list of statements was generated…
A kinetic model for hydrodesulfurisation
Energy Technology Data Exchange (ETDEWEB)
Sau, M.; Narasimhan, C.S.L.; Verma, R.P. [Indian Oil Corporation Limited, Research and Development Centre, Faridabad (India)
1997-07-01
Due to stringent environmental considerations and related insistence on low sulfur fuels, hydrodesulfurisation has emerged as an important component of any refining scheme globally. The process is used ranging from Naphta/Kerosine hydrotreating to heavy oil hydrotreating. Processes such as Deep gas oil desulfurisation aiming at reduction of sulfur levels to less than 500 ppm have emerged as major players in the scenario. Hydrodesulfurisation (HDS) involves parallel desulfurisation of different organo-sulfur compounds present in the complex petroleum mixtures. In order to design, monitor, optimise and control the HDS reactor, it is necessary to have a detailed, yet simple model which follows the reaction chemistry accurately. In the present paper, a kinetic model is presented for HDS using continuum theory of lumping. The sulfur distribution in the reaction mixture is treated as continuum and parallel reaction networks are devised for kinetic modelling using continuum theory of lumping approach. The model based on the above approach follows the HDS chemistry reasonably well and hence the model parameters are almost feed invariant. Methods are also devised to incorporate heat and pressure effects into the model. The model has been validated based on commercial kero-HDS data. It is found that the model predictions agree with the experimental/commercial data. 17 refs.
Kinetic Profiles in NSTX Plasmas
International Nuclear Information System (INIS)
Bell, R.E.; LeBlanc, B.P.; Bourdelle, C.; Ernst, D.R.; Fredrickson, E.D.; Gates, D.A.; Hosea, J.C.; Johnson, D.W.; Kaye, S.M.; Maingi, R.; Medley, S.; Menard, J.E.; Mueller, D.; Ono, M.; Paoletti, F.; Peng, M.; Sabbagh, S.A.; Stutman, D.; Swain, D.W.; Synakowski, E.J.; Wilson, J.R.
2001-01-01
The National Spherical Torus Experiment (NSTX) is a low aspect ratio (R/a approximately 1.3) device with auxiliary heating from neutral-beam injection (NBI) and high-harmonic fast-wave heating (HHFW). Typical NSTX parameters are R(subscript ''0'') = 85 cm, a = 67 cm, I(subscript ''p'') = 0.7-1.4 MA, B(subscript ''phi'') = 0.25-0.45 T. Three co-directed deuterium neutral-beam sources have injected P(subscript ''NB'') less than or equal to 4.7 MW. HHFW plasmas typically have delivered P(subscript ''RF'') less than or equal to 3 MW. Important to the understanding of NSTX confinement are the new kinetic profile diagnostics: a multi-pulse Thomson scattering system (MPTS) and a charge-exchange recombination spectroscopy (CHERS) system. The MPTS diagnostic currently measures electron density and temperature profiles at 30 Hz at ten spatial locations. The CHERS system has recently become available to measure carbon ion temperature and toroidal flow at 17 radial positions spanning the outer half of the minor radius with 20 msec time resolution during NBI. Experiments conducted during the last year have produced a wide range of kinetic profiles in NSTX. Some interesting examples are presented below
Conformational kinetics of aliphatic tails
Ferrarini, Alberta; Moro, Giorgio; Nordio, Pier Luigi
The master equation describing the random walk between sites identified with the stable conformers of a chain molecule, represents the extension to the time domain of the Rotational Isomeric State model. The asymptotic analysis of the multidimensional diffusion equation in the continuous torsional variables subjected to the configurational potential, provides a rigorous justification for the discrete models, and it supplies, without resorting to phenomenological parameters, molecular definitions of the kinetic rates for the conformational transitions occurring at each segment of the chain. The coupling between the torsional variables is fully taken into account, giving rise to cooperative effects. A complete calculation of the specific correlation functions which describe the time evolution of the angular functions probed by N.M.R. and dielectric relaxation measurements, has been performed for alkyl chains attached to a massive core. The resulting behaviour has been compared with the decay of trans and gauche populations of specific bonds, expressed in terms of suitable correlation functions whose time integrals lead quite naturally to the definition of effective kinetic constants for the conformational transitions.
International Nuclear Information System (INIS)
Skrable, K.W.; Chabot, G.E.; French, C.S.; Wrenn, M.E.; Lipsztein, J.; Sasso, T.L.; Durbin, P.W.
1980-01-01
Exact and approximate kinetics equations relating to the transfer and elimination of radionuclides from the blood and various organs in the body are presented. These expressions may be used to estimate the instantaneous activity or the total number of disintegrations of a radionuclide in the blood or various organs of reference in the body, hence, also the respective dose rates and doses. The exact kinetics equations may be used to relate measurements of radionuclides in excreta to burdens in the body. They do give better results for exposure intervals long compared to the effective mean lives of the radionuclide in the various organs of reference, and they yield the exact steady state expressions. Fortunately, this condition is often satisfied for the relatively long standard exposure interval of 50 years that is applied to occupational exposure. In addition, the steady state expressions may be used along with metabolic data of the distribution of elements in the body, diet and excreta to estimate values of the rate constants used in both the exact and approximate expressions. A comparison of the exact and approximate expressions is given for the uranium metabolic model of Wrenn et al. and a comparison is made with current ICRP models. (author)
Combustion kinetics and reaction pathways
Energy Technology Data Exchange (ETDEWEB)
Klemm, R.B.; Sutherland, J.W. [Brookhaven National Laboratory, Upton, NY (United States)
1993-12-01
This project is focused on the fundamental chemistry of combustion. The overall objectives are to determine rate constants for elementary reactions and to elucidate the pathways of multichannel reactions. A multitechnique approach that features three independent experiments provides unique capabilities in performing reliable kinetic measurements over an exceptionally wide range in temperature, 300 to 2500 K. Recent kinetic work has focused on experimental studies and theoretical calculations of the methane dissociation system (CH{sub 4} + Ar {yields} CH{sub 3} + H + Ar and H + CH{sub 4} {yields} CH{sub 3} + H{sub 2}). Additionally, a discharge flow-photoionization mass spectrometer (DF-PIMS) experiment is used to determine branching fractions for multichannel reactions and to measure ionization thresholds of free radicals. Thus, these photoionization experiments generate data that are relevant to both reaction pathways studies (reaction dynamics) and fundamental thermochemical research. Two distinct advantages of performing PIMS with high intensity, tunable vacuum ultraviolet light at the National Synchrotron Light Source are high detection sensitivity and exceptional selectivity in monitoring radical species.
Numerical Simulation of the Kinetic Critical Nucleus
Sanada, Masaaki; Nishioka, Kazumi; Okada, Masahumi; Maksimov, Igor, L.
1997-01-01
Our main interest is to see whether the number density indicates a peak at the kinetically stable critical nucleus due to its kinetical stability. We have numerically calculated the time evolution of the number densities of clusters in the case of water vapor nucleation. We employ the condition in which the difference between the size of the thermodynamic crtitical nucleus and that of the kinetic one is appreciable. The results show that the peak does not appear in the number densities of clu...
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.
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.
Drug-Target Kinetics in Drug Discovery.
Tonge, Peter J
2018-01-17
The development of therapies for the treatment of neurological cancer faces a number of major challenges including the synthesis of small molecule agents that can penetrate the blood-brain barrier (BBB). Given the likelihood that in many cases drug exposure will be lower in the CNS than in systemic circulation, it follows that strategies should be employed that can sustain target engagement at low drug concentration. Time dependent target occupancy is a function of both the drug and target concentration as well as the thermodynamic and kinetic parameters that describe the binding reaction coordinate, and sustained target occupancy can be achieved through structural modifications that increase target (re)binding and/or that decrease the rate of drug dissociation. The discovery and deployment of compounds with optimized kinetic effects requires information on the structure-kinetic relationships that modulate the kinetics of binding, and the molecular factors that control the translation of drug-target kinetics to time-dependent drug activity in the disease state. This Review first introduces the potential benefits of drug-target kinetics, such as the ability to delineate both thermodynamic and kinetic selectivity, and then describes factors, such as target vulnerability, that impact the utility of kinetic selectivity. The Review concludes with a description of a mechanistic PK/PD model that integrates drug-target kinetics into predictions of drug activity.
Nonlocal nonlinear coupling of kinetic sound waves
Directory of Open Access Journals (Sweden)
O. Lyubchyk
2014-11-01
Full Text Available We study three-wave resonant interactions among kinetic-scale oblique sound waves in the low-frequency range below the ion cyclotron frequency. The nonlinear eigenmode equation is derived in the framework of a two-fluid plasma model. Because of dispersive modifications at small wavelengths perpendicular to the background magnetic field, these waves become a decay-type mode. We found two decay channels, one into co-propagating product waves (forward decay, and another into counter-propagating product waves (reverse decay. All wavenumbers in the forward decay are similar and hence this decay is local in wavenumber space. On the contrary, the reverse decay generates waves with wavenumbers that are much larger than in the original pump waves and is therefore intrinsically nonlocal. In general, the reverse decay is significantly faster than the forward one, suggesting a nonlocal spectral transport induced by oblique sound waves. Even with low-amplitude sound waves the nonlinear interaction rate is larger than the collisionless dissipation rate. Possible applications regarding acoustic waves observed in the solar corona, solar wind, and topside ionosphere are briefly discussed.
Hydrogen peroxide kinetics in water radiolysis
Iwamatsu, Kazuhiro; Sundin, Sara; LaVerne, Jay A.
2018-04-01
The kinetics of the formation and reaction of hydrogen peroxide in the long time γ- radiolysis of water is examined using a combination of experiment with model calculations. Escape yields of hydrogen peroxide on the microsecond time scale are easily measured with added radical scavengers even with substantial amounts of initial added hydrogen peroxide. The γ-radiolysis of aqueous hydrogen peroxide solutions without added radical scavengers reach a steady state limiting concentration of hydrogen peroxide with increasing dose, and that limit is directly proportional to the initial concentration of added hydrogen peroxide. The dose necessary to reach that limiting hydrogen peroxide concentration is also proportional to the initial concentration, but dose rate has a very small effect. The addition of molecular hydrogen to aqueous solutions of hydrogen peroxide leads to a decrease in the high dose limiting hydrogen peroxide concentration that is linear with the initial hydrogen concentration, but the amount of decrease is not stoichiometric. Proton irradiations of solutions with added hydrogen peroxide and hydrogen are more difficult to predict because of the decreased yields of radicals; however, with a substantial increase in dose rate there is a sufficient decrease in radical yields that hydrogen addition has little effect on hydrogen peroxide decay.
Turbulence generation through intense kinetic energy sources
Maqui, Agustin F.; Donzis, Diego A.
2016-06-01
Direct numerical simulations (DNS) are used to systematically study the development and establishment of turbulence when the flow is initialized with concentrated regions of intense kinetic energy. This resembles both active and passive grids which have been extensively used to generate and study turbulence in laboratories at different Reynolds numbers and with different characteristics, such as the degree of isotropy and homogeneity. A large DNS database was generated covering a wide range of initial conditions with a focus on perturbations with some directional preference, a condition found in active jet grids and passive grids passed through a contraction as well as a new type of active grid inspired by the experimental use of lasers to photo-excite the molecules that comprise the fluid. The DNS database is used to assert under what conditions the flow becomes turbulent and if so, the time required for this to occur. We identify a natural time scale of the problem which indicates the onset of turbulence and a single Reynolds number based exclusively on initial conditions which controls the evolution of the flow. It is found that a minimum Reynolds number is needed for the flow to evolve towards fully developed turbulence. An extensive analysis of single and two point statistics, velocity as well as spectral dynamics and anisotropy measures is presented to characterize the evolution of the flow towards realistic turbulence.
Slowest kinetic modes revealed by metabasin renormalization
Okushima, Teruaki; Niiyama, Tomoaki; Ikeda, Kensuke S.; Shimizu, Yasushi
2018-02-01
Understanding the slowest relaxations of complex systems, such as relaxation of glass-forming materials, diffusion in nanoclusters, and folding of biomolecules, is important for physics, chemistry, and biology. For a kinetic system, the relaxation modes are determined by diagonalizing its transition rate matrix. However, for realistic systems of interest, numerical diagonalization, as well as extracting physical understanding from the diagonalization results, is difficult due to the high dimensionality. Here, we develop an alternative and generally applicable method of extracting the long-time scale relaxation dynamics by combining the metabasin analysis of Okushima et al. [Phys. Rev. E 80, 036112 (2009), 10.1103/PhysRevE.80.036112] and a Jacobi method. We test the method on an illustrative model of a four-funnel model, for which we obtain a renormalized kinematic equation of much lower dimension sufficient for determining slow relaxation modes precisely. The method is successfully applied to the vacancy transport problem in ionic nanoparticles [Niiyama et al., Chem. Phys. Lett. 654, 52 (2016), 10.1016/j.cplett.2016.04.088], allowing a clear physical interpretation that the final relaxation consists of two successive, characteristic processes.
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
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
Framing scales and scaling frames
van Lieshout, M.; Dewulf, A.; Aarts, N.; Termeer, K.
2009-01-01
Policy problems are not just out there. Actors highlight different aspects of a situation as problematic and situate the problem on different scales. In this study we will analyse the way actors apply scales in their talk (or texts) to frame the complex decision-making process of the establishment
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.
Disordering kinetics in surface overlayers
International Nuclear Information System (INIS)
Jesina, A.; Tringides, M.C.
1993-01-01
The disordering kinetics of the O/W(110)-p(2x1)+p(2x2) overlayer, prepared initially in a well-ordered state, are studied with low-energy electron diffraction profile analysis. The decay of the peak intensity, used as a measure of the growing disorder, cannot be fitted to a power law as in the case of ordering processes. The full width at half maximum of the time-dependent structure factor S(q,t) is constant with time, which suggests that the average size remains constant. Diffusion activation energy extracted for the temperature dependence of the disordering is 1.0±0.05 eV, which is different from the value of 0.6 eV measured in ordering processes. The difference can be explained by the adsorbate-adsorbate interactions, which contribute differently to the diffusion barrier, in the two experiments
Analysis of kinetic reaction mechanisms
Turányi, Tamás
2014-01-01
Chemical processes in many fields of science and technology, including combustion, atmospheric chemistry, environmental modelling, process engineering, and systems biology, can be described by detailed reaction mechanisms consisting of numerous reaction steps. This book describes methods for the analysis of reaction mechanisms that are applicable in all these fields. Topics addressed include: how sensitivity and uncertainty analyses allow the calculation of the overall uncertainty of simulation results and the identification of the most important input parameters, the ways in which mechanisms can be reduced without losing important kinetic and dynamic detail, and the application of reduced models for more accurate engineering optimizations. This monograph is invaluable for researchers and engineers dealing with detailed reaction mechanisms, but is also useful for graduate students of related courses in chemistry, mechanical engineering, energy and environmental science and biology.
Nuclear reactor kinetics and control
International Nuclear Information System (INIS)
Lewins, J.
1978-01-01
A consistent, integrated account of modern developments in the study of nuclear reactor kinetics and the problem of their efficient and safe control. It aims to prepare the student for advanced study and research or practical work in the field. Special features include treatments of noise theory, reliability theory and safety related studies. It covers all aspects of the operation and control of nuclear reactors, power and research and is complete in providing physical data methods of calculation and solution including questions of equipment reliability. The work uses illustrations of the main types of reactors in use in the UK, USA and Europe. Each chapter contains problems and worked examples suitable for course work and study. The subject is covered in chapters, entitled: introductory review; neutron and precursor equations; elementary solutions at low power; linear reactor process dynamics with feedback; power reactor control systems; fluctuations and reactor noise; safety and reliability; nonlinear systems (safety and control); analogue computing. (author)
Method of molybdenum kinetic determination
International Nuclear Information System (INIS)
Krejngol'd, S.U.; Dzotsenidze, N.E.; Ruseishviyai, T.G.; Nelen', I.M.
1980-01-01
The method molybdenum kinetic determination according to oxidation of pyrogallol with bromate in the medium of 0.05-0.15 M perchloric or sulphuric acids is presented. 1 mg of Ni, Co, Mn, Mg, Zn, Cr(3); 100 μg of Ca, Al, Cu, 10 μg of Cr(4), W; 10 μg of Fe in the presence of 22x10 - 4 M solution of EDTA, as well as 10 - 4 M solutions of chlorides and fluorides, 10 - 5 M solutions of bromides do not interfere with molybdenum determination using the given method. The method is rather simple, it takes 30 min to carry out the analysis. Determination limit of molybdenum constitutes 0.01 μg/ml
Quantum-statistical kinetic equations
International Nuclear Information System (INIS)
Loss, D.; Schoeller, H.
1989-01-01
Considering a homogeneous normal quantum fluid consisting of identical interacting fermions or bosons, the authors derive an exact quantum-statistical generalized kinetic equation with a collision operator given as explicit cluster series where exchange effects are included through renormalized Liouville operators. This new result is obtained by applying a recently developed superoperator formalism (Liouville operators, cluster expansions, symmetrized projectors, P q -rule, etc.) to nonequilibrium systems described by a density operator ρ(t) which obeys the von Neumann equation. By means of this formalism a factorization theorem is proven (being essential for obtaining closed equations), and partial resummations (leading to renormalized quantities) are performed. As an illustrative application, the quantum-statistical versions (including exchange effects due to Fermi-Dirac or Bose-Einstein statistics) of the homogeneous Boltzmann (binary collisions) and Choh-Uhlenbeck (triple collisions) equations are derived
Growth kinetics in multicomponent fluids
International Nuclear Information System (INIS)
Chen, S.; Lookman, T.
1995-01-01
The hydrodynamic effects on the late-stage kinetics in spinodal decomposition of multicomponent fluids are examined using a lattice Boltzmann scheme with stochastic fluctuations in the fluid and at the interface. In two dimensions, the three- and four-component immiscible fluid mixture (with a 1024 2 lattice) behaves like an off-critical binary fluid with an estimated domain growth of t 0.4 +/= 0.03 rather than t 1/3 as previously estimated, showing the significant influence of hydrodynamics. In three dimensions (with a 256 3 lattice), we estimate the growth as t 0.96 +/= 0.05 for both critical and off-critical quenches, in agreement with phenomenological theory
International Nuclear Information System (INIS)
Al-Chalabi, R.M.; Turinsky, P.J.; Faure, F.-X.; Sarsour, H.N.; Engrand, P.R.
1993-01-01
The NESTLE nodal kinetics code has been developed for utilization as a stand-alone code for steady-state and transient reactor neutronic analysis and for incorporation into system transient codes, such as TRAC and RELAP. The latter is desirable to increase the simulation fidelity over that obtained from currently employed zero- and one-dimensional neutronic models and now feasible due to advances in computer performance and efficiency of nodal methods. As a stand-alone code, requirements are that it operate on a range of computing platforms from memory-limited personal computers (PCs) to supercomputers with vector processors. This paper summarizes the features of NESTLE that reflect the utilization and requirements just noted
Influence of Sub-grid-Scale Isentropic Transports on McRAS Evaluations using ARM-CART SCM Datasets
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.
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
Global fully kinetic models of planetary magnetospheres with iPic3D
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
Kinetics model for lutate dosimetry
International Nuclear Information System (INIS)
Lima, M.F.; Mesquita, C.H.
2013-01-01
The use of compartmental analysis to predict the behavior of drugs in the organism is considered the better option among numerous methods employed in pharmacodynamics. A six compartments model was developed to determinate the kinetic constants of 177Lu-DOTATATO biodistribution using data from one published study with 67 patients treated by PRRT (Peptide receptor radionuclide therapy) and followed by CT during 68,25 hours. The compartmental analysis was made using the software AnaComp®. The influence of the time pos-injection over the dose assessment was studied taking into account the renal excretion management by aminoacid coinfusion, whose direct effects persist in the first day. The biodistribution curve was split in five sectors: 0-0.25h; 0-3.25h; 3.25-24.25h; 24.25-68.25h and 3.25-68.25h. After the examination of that influence, the study was concentrated in separate the biodistribution curve in two phases. Phase 1: governed by uptake from the blood, considering the time pos-injection until 3.25h and phase 2: governed by renal excretion, considering the time pos-injection from 3.25h to 68.25h. The model considered the organs and tissues superposition in the CT image acquisition by sampling parameters as the contribution of the the activity concentration in blood and relation between the sizes of the whole body and measured organs. The kinetic constants obtained from each phase (1 and 2) were used in dose assessment to patients in 26 organs and tissues described by MIRD. Dosimetry results were in agreement with the available results from literature, restrict to whole body, kidneys, bone marrow, spleen and liver. The advantage of the proposed model is the compartmental method quickness and power to estimate dose in organs and tissues, including tumor that, in the most part, were not discriminate by voxels of phantoms built using CT images. (author)
Nanoparticle shape, thermodynamics and kinetics
International Nuclear Information System (INIS)
Marks, L D; Peng, L
2016-01-01
Nanoparticles can be beautiful, as in stained glass windows, or they can be ugly as in wear and corrosion debris from implants. We estimate that there will be about 70 000 papers in 2015 with nanoparticles as a keyword, but only one in thirteen uses the nanoparticle shape as an additional keyword and research focus, and only one in two hundred has thermodynamics. Methods for synthesizing nanoparticles have exploded over the last decade, but our understanding of how and why they take their forms has not progressed as fast. This topical review attempts to take a critical snapshot of the current understanding, focusing more on methods to predict than a purely synthetic or descriptive approach. We look at models and themes which are largely independent of the exact synthetic method whether it is deposition, gas-phase condensation, solution based or hydrothermal synthesis. Elements are old dating back to the beginning of the 20th century—some of the pioneering models developed then are still relevant today. Others are newer, a merging of older concepts such as kinetic-Wulff constructions with methods to understand minimum energy shapes for particles with twins. Overall we find that while there are still many unknowns, the broad framework of understanding and predicting the structure of nanoparticles via diverse Wulff constructions, either thermodynamic, local minima or kinetic has been exceedingly successful. However, the field is still developing and there remain many unknowns and new avenues for research, a few of these being suggested towards the end of the review. (topical review)
Kinetics model for lutate dosimetry
Energy Technology Data Exchange (ETDEWEB)
Lima, M.F.; Mesquita, C.H., E-mail: mflima@ipen.br, E-mail: chmesqui@ipen.br [Instituto de Pesquisas Energeticas (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)
2013-11-01
The use of compartmental analysis to predict the behavior of drugs in the organism is considered the better option among numerous methods employed in pharmacodynamics. A six compartments model was developed to determinate the kinetic constants of 177Lu-DOTATATO biodistribution using data from one published study with 67 patients treated by PRRT (Peptide receptor radionuclide therapy) and followed by CT during 68,25 hours. The compartmental analysis was made using the software AnaComp Registered-Sign . The influence of the time pos-injection over the dose assessment was studied taking into account the renal excretion management by aminoacid coinfusion, whose direct effects persist in the first day. The biodistribution curve was split in five sectors: 0-0.25h; 0-3.25h; 3.25-24.25h; 24.25-68.25h and 3.25-68.25h. After the examination of that influence, the study was concentrated in separate the biodistribution curve in two phases. Phase 1: governed by uptake from the blood, considering the time pos-injection until 3.25h and phase 2: governed by renal excretion, considering the time pos-injection from 3.25h to 68.25h. The model considered the organs and tissues superposition in the CT image acquisition by sampling parameters as the contribution of the the activity concentration in blood and relation between the sizes of the whole body and measured organs. The kinetic constants obtained from each phase (1 and 2) were used in dose assessment to patients in 26 organs and tissues described by MIRD. Dosimetry results were in agreement with the available results from literature, restrict to whole body, kidneys, bone marrow, spleen and liver. The advantage of the proposed model is the compartmental method quickness and power to estimate dose in organs and tissues, including tumor that, in the most part, were not discriminate by voxels of phantoms built using CT images. (author)
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.
Small velocity and finite temperature variations in kinetic relaxation models
Markowich, Peter; Jü ngel, Ansgar; Aoki, Kazuo
2010-01-01
A small Knuden number analysis of a kinetic equation in the diffusive scaling is performed. The collision kernel is of BGK type with a general local Gibbs state. Assuming that the flow velocity is of the order of the Knudsen number, a Hilbert expansion yields a macroscopic model with finite temperature variations, whose complexity lies in between the hydrodynamic and the energy-transport equations. Its mathematical structure is explored and macroscopic models for specific examples of the global Gibbs state are presented. © American Institute of Mathematical Sciences.
Methane Steam Reforming Kinetics for a Rhodium-Based Catalyst
DEFF Research Database (Denmark)
Jakobsen, Jon Geest; Jakobsen, M.; Chorkendorff, Ib
2010-01-01
Methane steam reforming is the key reaction to produce synthesis gas and hydrogen at the industrial scale. Here the kinetics of methane steam reforming over a rhodium-based catalyst is investigated in the temperature range 500-800 A degrees C and as a function of CH4, H2O and H-2 partial pressures....... The methane steam reforming reaction cannot be modeled without taking CO and H coverages into account. This is especially important at low temperatures and higher partial pressures of CO and H-2. For methane CO2 reforming experiments, it is also necessary to consider the repulsive interaction of CO...
Group-kinetic theory and modeling of atmospheric turbulence
Tchen, C. M.
1989-01-01
A group kinetic method is developed for analyzing eddy transport properties and relaxation to equilibrium. The purpose is to derive the spectral structure of turbulence in incompressible and compressible media. Of particular interest are: direct and inverse cascade, boundary layer turbulence, Rossby wave turbulence, two phase turbulence; compressible turbulence, and soliton turbulence. Soliton turbulence can be found in large scale turbulence, turbulence connected with surface gravity waves and nonlinear propagation of acoustical and optical waves. By letting the pressure gradient represent the elementary interaction among fluid elements and by raising the Navier-Stokes equation to higher dimensionality, the master equation was obtained for the description of the microdynamical state of turbulence.
Conformational Diffusion and Helix Formation Kinetics
International Nuclear Information System (INIS)
Hummer, Gerhard; Garcia, Angel E.; Garde, Shekhar
2000-01-01
The time, temperature, and sequence dependences of helix formation kinetics of fully atomistic peptide models in explicit solvent are described quantitatively by a diffusive search within the coil state with barrierless transitions into the helical state. Conformational diffusion leads to nonexponential kinetics and jump-width dependences in temperature jump experiments. (c) 2000 The American Physical Society
Towards Free-Form Kinetic Structures
DEFF Research Database (Denmark)
Parigi, Dario; Kirkegaard, Poul Henning
2012-01-01
of pin-slot paths starting from the local displacements of element [2] [3]. In the design of kinetic structures, in particular when complex three dimensional and non regular configurations are involved, the functionality is frequently related to a global displacement capability of the assembly rather...... for the generation of free-form kinetic structures....
Modeling composting kinetics: A review of approaches
Hamelers, H.V.M.
2004-01-01
Composting kinetics modeling is necessary to design and operate composting facilities that comply with strict market demands and tight environmental legislation. Current composting kinetics modeling can be characterized as inductive, i.e. the data are the starting point of the modeling process and
Saffman-Taylor fingers with kinetic undercooling
Gardiner, Bennett P. J.
2015-02-23
© 2015 American Physical Society. The mathematical model of a steadily propagating Saffman-Taylor finger in a Hele-Shaw channel has applications to two-dimensional interacting streamer discharges which are aligned in a periodic array. In the streamer context, the relevant regularization on the interface is not provided by surface tension but instead has been postulated to involve a mechanism equivalent to kinetic undercooling, which acts to penalize high velocities and prevent blow-up of the unregularized solution. Previous asymptotic results for the Hele-Shaw finger problem with kinetic undercooling suggest that for a given value of the kinetic undercooling parameter, there is a discrete set of possible finger shapes, each analytic at the nose and occupying a different fraction of the channel width. In the limit in which the kinetic undercooling parameter vanishes, the fraction for each family approaches 1/2, suggesting that this "selection" of 1/2 by kinetic undercooling is qualitatively similar to the well-known analog with surface tension. We treat the numerical problem of computing these Saffman-Taylor fingers with kinetic undercooling, which turns out to be more subtle than the analog with surface tension, since kinetic undercooling permits finger shapes which are corner-free but not analytic. We provide numerical evidence for the selection mechanism by setting up a problem with both kinetic undercooling and surface tension and numerically taking the limit that the surface tension vanishes.
Chemical kinetics and oil shale process design
Energy Technology Data Exchange (ETDEWEB)
Burnham, A.K.
1993-07-01
Oil shale processes are reviewed with the goal of showing how chemical kinetics influences the design and operation of different processes for different types of oil shale. Reaction kinetics are presented for organic pyrolysis, carbon combustion, carbonate decomposition, and sulfur and nitrogen reactions.
A Comprehensive Enzyme Kinetic Exercise for Biochemistry
Barton, Janice S.
2011-01-01
This article describes a comprehensive treatment of experimental enzyme kinetics strongly coupled to electronic data acquisition and use of spreadsheets to organize data and perform linear and nonlinear least-squares analyses, all in a manner that promotes development of important reasoning skills. Kinetic parameters are obtained for the stable…
Kinetic equations for the collisional plasma model
International Nuclear Information System (INIS)
Rij, W.I. Van; Meier, H.K.; Beasley, C.O. Jr.; McCune, J.E.
1977-01-01
Using the Collisional Plasma Model (CPM) representation, expressions are derived for the Vlasov operator, both in its general form and in the drift-kinetic approximation following the recursive derivation by Hazeltine. The expressions for the operators give easily calculated couplings between neighbouring components of the CPM representation. Expressions for various macroscopic observables in the drift-kinetics approximation are also given. (author)
Chemistry and reaction kinetics of biowaste torrefaction
Stelt, van der M.J.C.
2011-01-01
This thesis addresses the question of how the chemistry and reaction kinetics of torrefaction are influenced by reaction conditions and the effects occuring during the reaction. This research question can be specified by questions such as, what controls their kinetics during torrefaction and what
Determination of the kinetics of ethene epoxidation
Schouten, E.P.S.; Schouten, E.P.S.; Borman, P.C.; Borman, P.C.; Westerterp, K.R.
1996-01-01
Several problems and pitfalls in the use of laboratory reactors for the determination of the kinetics of ethene epoxidation over industrial silver on α-alumina catalyst are discussed. Also, commonly used methodologies for kinetic studies are dealt with because of the general nature of some problems.
Kinetic spectrophotometric determination of some fluoroquinolone ...
African Journals Online (AJOL)
A simple and sensitive kinetic spectrophotometric method was developed for the determination of some fluoroquinolonea antibiotics; gemifloxacin mesylate, moxifloxacin hydrochloride and gatifloxacin in bulk and in pharmaceutical preparations. The method is based upon a kinetic investigation of the oxidation reaction of ...
Saffman-Taylor fingers with kinetic undercooling
Gardiner, Bennett P. J.; McCue, Scott W.; Dallaston, Michael C.; Moroney, Timothy J.
2015-01-01
© 2015 American Physical Society. The mathematical model of a steadily propagating Saffman-Taylor finger in a Hele-Shaw channel has applications to two-dimensional interacting streamer discharges which are aligned in a periodic array. In the streamer context, the relevant regularization on the interface is not provided by surface tension but instead has been postulated to involve a mechanism equivalent to kinetic undercooling, which acts to penalize high velocities and prevent blow-up of the unregularized solution. Previous asymptotic results for the Hele-Shaw finger problem with kinetic undercooling suggest that for a given value of the kinetic undercooling parameter, there is a discrete set of possible finger shapes, each analytic at the nose and occupying a different fraction of the channel width. In the limit in which the kinetic undercooling parameter vanishes, the fraction for each family approaches 1/2, suggesting that this "selection" of 1/2 by kinetic undercooling is qualitatively similar to the well-known analog with surface tension. We treat the numerical problem of computing these Saffman-Taylor fingers with kinetic undercooling, which turns out to be more subtle than the analog with surface tension, since kinetic undercooling permits finger shapes which are corner-free but not analytic. We provide numerical evidence for the selection mechanism by setting up a problem with both kinetic undercooling and surface tension and numerically taking the limit that the surface tension vanishes.
Concepts of radial and angular kinetic energies
DEFF Research Database (Denmark)
Dahl, Jens Peder; Schleich, W.P.
2002-01-01
We consider a general central-field system in D dimensions and show that the division of the kinetic energy into radial and angular parts proceeds differently in the wave-function picture and the Weyl-Wigner phase-space picture, Thus, the radial and angular kinetic energies are different quantities...