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Sample records for modeling coupled transport

  1. Finite difference methods for coupled flow interaction transport models

    Directory of Open Access Journals (Sweden)

    Shelly McGee

    2009-04-01

    Full Text Available Understanding chemical transport in blood flow involves coupling the chemical transport process with flow equations describing the blood and plasma in the membrane wall. In this work, we consider a coupled two-dimensional model with transient Navier-Stokes equation to model the blood flow in the vessel and Darcy's flow to model the plasma flow through the vessel wall. The advection-diffusion equation is coupled with the velocities from the flows in the vessel and wall, respectively to model the transport of the chemical. The coupled chemical transport equations are discretized by the finite difference method and the resulting system is solved using the additive Schwarz method. Development of the model and related analytical and numerical results are presented in this work.

  2. Modeling Reactive Transport in Coupled Groundwater-Conduit Systems

    Science.gov (United States)

    Spiessl, S. M.; Sauter, M.; Zheng, C.; Viswanathan, H. S.

    2002-05-01

    Modeling reactive transport in coupled groundwater-conduit systems requires consideration of two transport time scales in the flow and transport models. Consider for example a subsurface mine consisting of a network of highly conductive shafts, drifts or ventilation raises (i.e., conduits) within the considerably less permeable ore material (i.e., matrix). In the conduits, potential contaminants can travel much more rapidly than in the background aquifer (matrix). Since conduits cannot necessarily be regarded as a continuum, double continuum models are only of limited use for simulation of contaminant transport in such coupled groundwater-conduit systems. This study utilizes a "hybrid" flow and transport model in which contaminants can in essence be transported at a slower time scale in the matrix and at a faster time scale in the conduits. The hybrid flow model uses an approach developed by Clemens et al. (1996), which is based on the modelling of flow in a discrete pipe network, coupled to a continuum representing the low-permeability inter-conduit matrix blocks. Laminar or turbulent flow can be simulated in the different pipes depending on the flow conditions in the model domain. The three-dimensional finite-difference groundwater flow model MODFLOW (Harbaugh and McDonald, 1996) is used to simulate flow in the continuum. Contaminant transport within the matrix is simulated with a continuum approach using the three-dimensional multi-species solute transport model MT3DMS (Zheng and Wang, 1999), while that in the conduit system is simulated with a one-dimensional advective transport model. As a first step for reactive transport modeling in such systems, only equilibrium reactions among multiple species are considered by coupling the hybrid transport model to a geochemical speciation package. An idealized mine network developed by Viswanathan and Sauter (2001) is used as a test problem in this study. The numerical experiment is based on reference date collected from

  3. A coupled energy transport and hydrological model for urban canopies

    Science.gov (United States)

    Wang, Z.; Bou-Zeid, E.; Smith, J. A.

    2011-12-01

    Urban land-atmosphere interaction has been attracting more research efforts in order to understand the complex physics of flow and mass and heat transport in urban surfaces and the lower urban atmosphere. In this work, we developed and implemented a new physically-based single-layer urban canopy model, coupling the surface exchange of energy and the subsurface transport of water/soil moisture. The new model incorporates sub-facet heterogeneity for each urban surface (roof, wall or ground). This better simulates the energy transport in urban canopy layers, especially over low-intensity built (suburban type) terrains that include a significant fraction of vegetated surfaces. We implemented detailed urban hydrological models for both natural terrains (bare soil and vegetation) and porous engineered materials with water-holding capacity (concrete, gravel, etc). The skill of the new scheme was tested against experimental data collected through a wireless sensor network deployed over the campus of Princeton University. The model performance was found to be robust and insensitive to changes in weather conditions or seasonal variability. Predictions of the volumetric soil water content were also in good agreement with field measurements, highlighting the model capability of capturing subsurface water transport for urban lawns. The new model was also applied to a case study assessing different strategies, i.e. white versus green roofs, in the mitigation of urban heat island effect.

  4. A Coupled Model of Multiphase Flow, Reactive Biogeochemical Transport, Thermal Transport and Geo-Mechanics.

    Science.gov (United States)

    Tsai, C. H.; Yeh, G. T.

    2015-12-01

    In this investigation, a coupled model of multiphase flow, reactive biogeochemical transport, thermal transport and geo-mechanics in subsurface media is presented. It iteratively solves the mass conservation equation for fluid flow, thermal transport equation for temperature, reactive biogeochemical transport equations for concentration distributions, and solid momentum equation for displacement with successive linearization algorithm. With species-based equations of state, density of a phase in the system is obtained by summing up concentrations of all species. This circumvents the problem of having to use empirical functions. Moreover, reaction rates of all species are incorporated in mass conservation equation for fluid flow. Formation enthalpy of all species is included in the law of energy conservation as a source-sink term. Finite element methods are used to discretize the governing equations. Numerical experiments are presented to examine the accuracy and robustness of the proposed model. The results demonstrate the feasibility and capability of present model in subsurface media.

  5. Kinetic modelling of coupled transport across biological membranes.

    Science.gov (United States)

    Korla, Kalyani; Mitra, Chanchal K

    2014-04-01

    In this report, we have modelled a secondary active co-transporter (symport and antiport), based on the classical kinetics model. Michaelis-Menten model of enzyme kinetics for a single substrate, single intermediate enzyme catalyzed reaction was proposed more than a hundred years ago. However, no single model for the kinetics of co-transport of molecules across a membrane is available in the literature We have made several simplifying assumptions and have followed the basic Michaelis-Menten approach. The results have been simulated using GNU Octave. The results will be useful in general kinetic simulations and modelling.

  6. Coupling of Groundwater Transport and Plant Uptake Models

    DEFF Research Database (Denmark)

    Rein, Arno; Bauer-Gottwein, Peter; Trapp, Stefan

    2010-01-01

    Plants significantly influence contaminant transport and fate. Important processes are uptake of soil and groundwater contaminants, as well as biodegradation in plants and their root zones. Models for the prediction of chemical uptake into plants are required for the setup of mass balances...... to groundwater transport simulation tools. Exemplary simulations of plant uptake were carried out, in order to estimate concentrations in the soilplant- air system and the influence of plants on contaminant mass fluxes from soil to groundwater....

  7. Lattice Boltzmann based multicomponent reactive transport model coupled with geochemical solver for scale simulations

    NARCIS (Netherlands)

    Patel, R.A.; Perko, J.; Jaques, D.; De Schutter, G.; Ye, G.; Van Breugel, K.

    2013-01-01

    A Lattice Boltzmann (LB) based reactive transport model intended to capture reactions and solid phase changes occurring at the pore scale is presented. The proposed approach uses LB method to compute multi component mass transport. The LB multi-component transport model is then coupled with the well

  8. A Coupled Chemical and Mass Transport Model for Concrete Durability

    DEFF Research Database (Denmark)

    Jensen, Mads Mønster; Johannesson, Björn; Geiker, Mette Rica

    2012-01-01

    curves which is established from a set of mathematical criteria. The chemical degradation is modelled with the geochemical code iphreeqc, which provides a general tool for evaluating different paste compositions. The governing system of equations is solved by the finite element method with a Newton......-Raphson iteration scheme arising from the non-linearity. The overall model is a transient problem, solved using a single parameter formulation. The sorption hysteresis and chemical equilibrium is included as source or sink terms. The advantages with this formulation is that each node in the discrete system has......In this paper a general continuum theory is used to evaluate the service life of cement based materials, in terms of mass transport processes and chemical degradation of the solid matrix. The model established is a reactive mass transport model, based on an extended version of the Poisson...

  9. On Limiting Behavior of Contaminant Transport Models in Coupled Surface and Groundwater Flows

    Directory of Open Access Journals (Sweden)

    Vincent J. Ervin

    2015-11-01

    Full Text Available There has been a surge of work on models for coupling surface-water with groundwater flows which is at its core the Stokes-Darcy problem. The resulting (Stokes-Darcy fluid velocity is important because the flow transports contaminants. The analysis of models including the transport of contaminants has, however, focused on a quasi-static Stokes-Darcy model. Herein we consider the fully evolutionary system including contaminant transport and analyze its quasi-static limits.

  10. A minimal coupled fluid-discrete element model for bedload transport

    CERN Document Server

    Maurin, Raphael; Chareyre, Bruno; Frey, Philippe

    2016-01-01

    A minimal Lagragian two-phase model to study turbulent bedload transport focusing on the granular phase is presented, and validated with experiments. The model intends to describe bedload transport of massive particles in fully rough flows at relatively low Shields numbers, for which no suspension occurs. A discrete element method for the granular phase is coupled with a one dimensional volume-averaged two-phase momentum equation for the fluid phase. The coupling between the discrete granular phase and the continuous fluid phase is discussed, and a consistent averaging formulation adapted to bedload transport is introduced. An original simple discrete random walk model is proposed to account for the fluid velocity fluctuations. The model is compared with experiments considering both classical sediment transport rate as a function of the Shields number, and depth profiles of solid velocity, volume fraction, and transport rate density, from existing bedload transport experiments in inclined flume. The results s...

  11. Geometry and transport in a model of two coupled quadratic nonlinear waveguides

    DEFF Research Database (Denmark)

    Stirling, James R.; Bang, Ole; Christiansen, Peter Leth;

    2008-01-01

    This paper applies geometric methods developed to understand chaos and transport in Hamiltonian systems to the study of power distribution in nonlinear waveguide arrays. The specific case of two linearly coupled X(2) waveguides is modeled and analyzed in terms of transport and geometry in the pha...

  12. WRF fire simulation coupled with a fuel moisture model and smoke transport by WRF-Chem

    CERN Document Server

    Kochanski, Adam K; Mandel, Jan; Kim, Minjeong

    2012-01-01

    We describe two recent additions to WRF coupled with a fire spread model. Fire propagation is strongly dependent on fuel moisture, which in turn depends on the history of the atmosphere. We have implemented a equilibrium time-lag model of fuel moisture driven by WRF variables. The code allows the user to specify fuel parameters, with the defaults calibrated to the Canadian fire danger rating system for 10-hour fuel. The moisture model can run coupled with the atmosphere-fire model, or offline from WRF output to equilibrate the moisture over a period of time and to provide initial moisture conditions for a coupled atmosphere-fire-moisture simulation. The fire model also inserts smoke tracers into WRF-Chem to model the transport of fire emissions. The coupled model is available from OpenWFM.org. An earlier version of the fire model coupled with atmosphere is a part of WRF release.

  13. Coupled groundwater flow and transport: 1. Verification of variable density flow and transport models

    Science.gov (United States)

    Kolditz, Olaf; Ratke, Rainer; Diersch, Hans-Jörg G.; Zielke, Werner

    This work examines variable density flow and corresponding solute transport in groundwater systems. Fluid dynamics of salty solutions with significant density variations are of increasing interest in many problems of subsurface hydrology. The mathematical model comprises a set of non-linear, coupled, partial differential equations to be solved for pressure/hydraulic head and mass fraction/concentration of the solute component. The governing equations and underlying assumptions are developed and discussed. The equation of solute mass conservation is formulated in terms of mass fraction and mass concentration. Different levels of the approximation of density variations in the mass balance equations are used for convection problems (e.g. the Boussinesq approximation and its extension, fully density approximation). The impact of these simplifications is studied by use of numerical modelling. Numerical models for nonlinear problems, such as density-driven convection, must be carefully verified in a particular series of tests. Standard benchmarks for proving variable density flow models are the Henry, Elder, and salt dome (HYDROCOIN level 1 case 5) problems. We studied these benchmarks using two finite element simulators - ROCKFLOW, which was developed at the Institute of Fluid Mechanics and Computer Applications in Civil Engineering and FEFLOW, which was developed at the Institute for Water Resources Planning and Systems Research Ltd. Although both simulators are based on the Galerkin finite element method, they differ in many approximation details such as temporal discretization (Crank-Nicolson vs predictor-corrector schemes), spatial discretization (triangular and quadrilateral elements), finite element basis functions (linear, bilinear, biquadratic), iteration schemes (Newton, Picard) and solvers (direct, iterative). The numerical analysis illustrates discretization effects and defects arising from the different levels of the density of approximation. We contribute

  14. GrundRisk - Coupling of vertical and horizontal transport models

    DEFF Research Database (Denmark)

    Locatelli, Luca; Rosenberg, Louise; Bjerg, Poul Løgstrup

    This report presents the development of the GrundRisk model for contaminated site risk assessment.......This report presents the development of the GrundRisk model for contaminated site risk assessment....

  15. Coupled Particle Transport and Pattern Formation in a Nonlinear Leaky-Box Model

    Science.gov (United States)

    Barghouty, A. F.; El-Nemr, K. W.; Baird, J. K.

    2009-01-01

    Effects of particle-particle coupling on particle characteristics in nonlinear leaky-box type descriptions of the acceleration and transport of energetic particles in space plasmas are examined in the framework of a simple two-particle model based on the Fokker-Planck equation in momentum space. In this model, the two particles are assumed coupled via a common nonlinear source term. In analogy with a prototypical mathematical system of diffusion-driven instability, this work demonstrates that steady-state patterns with strong dependence on the magnetic turbulence but a rather weak one on the coupled particles attributes can emerge in solutions of a nonlinearly coupled leaky-box model. The insight gained from this simple model may be of wider use and significance to nonlinearly coupled leaky-box type descriptions in general.

  16. FLUID-SOLID COUPLING MATHEMATICAL MODEL OF CONTAMINANT TRANSPORT IN UNSATURATED ZONE AND ITS ASYMPTOTICAL SOLUTION

    Institute of Scientific and Technical Information of China (English)

    薛强; 梁冰; 刘晓丽; 李宏艳

    2003-01-01

    The process of contaminant transport is a problem of multicomponent and multiphase flow in unsaturated zone. Under the presupposition that gas existence affects water transport , a coupled mathematical model of contaminant transport in unsaturated zone has been established based on fluid-solid interaction mechanics theory. The asymptotical solutions to the nonlinear coupling mathematical model were accomplished by the perturbation and integral transformation method. The distribution law of pore pressure,pore water velocity and contaminant concentration in unsaturated zone has been presented under the conditions of with coupling and without coupling gas phase. An example problem was used to provide a quantitative verification and validation of the model. The asymptotical solution was compared with Faust model solution. The comparison results show reasonable agreement between asymptotical solution and Faust solution, and the gas effect and media deformation has a large impact on the contaminant transport. The theoretical basis is provided for forecasting contaminant transport and the determination of the relationship among pressure-saturation-permeability in laboratory.

  17. Coupled Modeling of Flow, Transport, and Deformation during Hydrodynamically Unstable Displacement in Fractured Rocks

    Science.gov (United States)

    Jha, B.; Juanes, R.

    2015-12-01

    Coupled processes of flow, transport, and deformation are important during production of hydrocarbons from oil and gas reservoirs. Effective design and implementation of enhanced recovery techniques such as miscible gas flooding and hydraulic fracturing requires modeling and simulation of these coupled proceses in geologic porous media. We develop a computational framework to model the coupled processes of flow, transport, and deformation in heterogeneous fractured rock. We show that the hydrocarbon recovery efficiency during unstable displacement of a more viscous oil with a less viscous fluid in a fractured medium depends on the mechanical state of the medium, which evolves due to permeability alteration within and around fractures. We show that fully accounting for the coupling between the physical processes results in estimates of the recovery efficiency in agreement with observations in field and lab experiments.

  18. A minimal coupled fluid-discrete element model for bedload transport

    Science.gov (United States)

    Maurin, R.; Chauchat, J.; Chareyre, B.; Frey, P.

    2015-11-01

    A minimal Lagrangian two-phase model to study turbulent bedload transport focusing on the granular phase is presented and validated with experiments. The model intends to describe bedload transport of massive particles in fully rough flows at relatively low Shields numbers, for which no suspension occurs. A discrete element method for the granular phase is coupled with a one dimensional volume-averaged two-phase momentum equation for the fluid phase. The coupling between the discrete granular phase and the continuous fluid phase is discussed, and a consistent averaging formulation adapted to bedload transport is introduced. An original simple discrete random walk model is proposed to account for the fluid velocity fluctuations. The model is compared with experiments considering both classical sediment transport rate as a function of the Shields number, and depth profiles of solid velocity, volume fraction, and transport rate density, from existing bedload transport experiments in inclined flume. The results successfully reproduce the classical 3/2 power law, and more importantly describe well the depth profiles of the granular phase, showing that the model is able to reproduce the particle scale mechanisms. From a sensitivity analysis, it is shown that the fluctuation model allows to reproduce a realistic critical Shields number, and that the influence of the granular parameters on the macroscopic results is weak. Nevertheless, the analysis of the corresponding depth profiles reveals an evolution of the depth structure of the granular phase with varying restitution and friction coefficients, which denotes the non-trivial underlying physical mechanisms.

  19. Simulation of variability in atmospheric carbon dioxide using a global coupled Eulerian – Lagrangian transport model

    Directory of Open Access Journals (Sweden)

    Y. Koyama

    2011-04-01

    Full Text Available This study assesses the advantages of using a coupled atmospheric-tracer transport model, comprising a global Eulerian model and a global Lagrangian particle dispersion model, to improve the reproducibility of tracer-gas variations affected by the near-field surface emissions and transport around observation sites. The ability to resolve variability in atmospheric composition on an hourly time-scale and a spatial scale of several kilometers would be beneficial for analyzing data from continuous ground-based monitoring and from upcoming space-based observations. The coupled model yields an increase in the horizontal resolution of transport and fluxes, and has been tested in regional-scale studies of atmospheric chemistry. By applying the Lagrangian component to the global domain, we extend this approach to the global scale, thereby enabling computationally efficient global inverse modeling and data assimilation. To validate the coupled model, we compare model-simulated CO2 concentrations with continuous observations at three sites: two operated by the National Oceanic and Atmospheric Administration, USA, and one operated by the National Institute for Environmental Studies, Japan. As the goal of this study is limited to introducing the new modeling approach, we selected a transport simulation at these three sites to demonstrate how the model may perform at various geographical areas. The coupled model provides improved agreement between modeled and observed CO2 concentrations in comparison to the Eulerian model. In an area where variability in CO2 concentration is dominated by a fossil fuel signal, the correlation coefficient between modeled and observed concentrations increases by between 0.05 to 0.1 from the original values of 0.5–0.6 achieved with the Eulerian model.

  20. A COMSOL-GEMS interface for modeling coupled reactive-transport geochemical processes

    Science.gov (United States)

    Azad, Vahid Jafari; Li, Chang; Verba, Circe; Ideker, Jason H.; Isgor, O. Burkan

    2016-07-01

    An interface was developed between COMSOL MultiphysicsTM finite element analysis software and (geo)chemical modeling platform, GEMS, for the reactive-transport modeling of (geo)chemical processes in variably saturated porous media. The two standalone software packages are managed from the interface that uses a non-iterative operator splitting technique to couple the transport (COMSOL) and reaction (GEMS) processes. The interface allows modeling media with complex chemistry (e.g. cement) using GEMS thermodynamic database formats. Benchmark comparisons show that the developed interface can be used to predict a variety of reactive-transport processes accurately. The full functionality of the interface was demonstrated to model transport processes, governed by extended Nernst-Plank equation, in Class H Portland cement samples in high pressure and temperature autoclaves simulating systems that are used to store captured carbon dioxide (CO2) in geological reservoirs.

  1. Long-range correlations in a simple stochastic model of coupled transport

    Energy Technology Data Exchange (ETDEWEB)

    Larralde, Hernan [Instituto de Ciencias Fisicas, Universidad Nacional Autonoma de Mexico, Apartado Postal 48-3, 62551 Cuernavaca, Morelos (Mexico); Sanders, David P [Departamento de Fisica, Facultad de Ciencias, Universidad Nacional Autonoma de Mexico, Ciudad Universitaria, 04510 Mexico DF (Mexico)], E-mail: hernan@fis.unam.mx, E-mail: dps@fciencias.unam.mx

    2009-08-21

    We study coupled transport in the nonequilibrium stationary state of a model consisting of independent random walkers, moving along a one-dimensional channel, which carry a conserved energy-like quantity, with density and temperature gradients imposed by reservoirs at the ends of the channel. In our model, walkers interact with other walkers at the same site by sharing energy at each time step, but the amount of energy carried does not affect the motion of the walkers. We find that already in this simple model long-range correlations arise in the nonequilibrium stationary state which are similar to those observed in more realistic models of coupled transport. We derive an analytical expression for the source of these correlations, which we use to obtain semi-analytical results for the correlations themselves assuming a local-equilibrium hypothesis. These are in very good agreement with results from direct numerical simulations.

  2. Simulation of atmospheric carbon dioxide variability with a global coupled Eulerian-Lagrangian transport model

    Directory of Open Access Journals (Sweden)

    Y. Koyama

    2010-11-01

    Full Text Available This study assesses the advantages of using a coupled atmospheric-tracer transport model, comprising a global Eulerian model and a global Lagrangian particle dispersion model, for reproducibility of tracer gas variation affected by near field around observation sites. The ability to resolve variability in atmospheric composition on an hourly time scale and a spatial scale of several kilometers would be beneficial for analyzing data from continuous ground-based monitoring and upcoming space-based observations. The coupled model yields increased horizontal resolution of transport and fluxes, and has been tested in regional-scale studies of atmospheric chemistry. By applying the Lagrangian component to the global domain, we extend this approach to the global scale, thereby enabling global inverse modeling and data assimilation. To validate the coupled model, we compare model-simulated CO2 concentrations with continuous observations at two sites operated by the National Oceanic and Atmospheric Administration, USA and one site operated by National Institute for Environmental Studies, Japan. As the purpose of this study is limited to demonstration of the new modeling approach, we select a small subset of 3 sites to highlight use of the model in various geographical areas. To explore the capability of the coupled model in simulating synoptic-scale meteorological phenomena, we calculate the correlation coefficients and variance ratios between deseasonalized model-simulated and observed CO2 concentrations. Compared with the Eulerian model alone, the coupled model yields improved agreement between modeled and observed CO2 concentrations.

  3. A turbulent transport network model in MULTIFLUX coupled with TOUGH2

    Energy Technology Data Exchange (ETDEWEB)

    Danko, G.; Bahrami, D.; Birkholzer, J.T.

    2011-02-15

    A new numerical method is described for the fully iterated, conjugate solution of two discrete submodels, involving (a) a transport network model for heat, moisture, and airflows in a high-permeability, air-filled cavity; and (b) a variably saturated fractured porous medium. The transport network submodel is an integrated-parameter, computational fluid dynamics solver, describing the thermal-hydrologic transport processes in the flow channel system of the cavity with laminar or turbulent flow and convective heat and mass transport, using MULTIFLUX. The porous medium submodel, using TOUGH2, is a solver for the heat and mass transport in the fractured rock mass. The new model solution extends the application fields of TOUGH2 by integrating it with turbulent flow and transport in a discrete flow network system. We present demonstrational results for a nuclear waste repository application at Yucca Mountain with the most realistic model assumptions and input parameters including the geometrical layout of the nuclear spent fuel and waste with variable heat load for the individual containers. The MULTIFLUX and TOUGH2 model elements are fully iterated, applying a programmed reprocessing of the Numerical Transport Code Functionalization model-element in an automated Outside Balance Iteration loop. The natural, convective airflow field and the heat and mass transport in a representative emplacement drift during postclosure are explicitly solved in the new model. The results demonstrate that the direction and magnitude of the air circulation patterns and all transport modes are strongly affected by the heat and moisture transport processes in the surrounding rock, justifying the need for a coupled, fully iterated model solution such as the one presented in the paper.

  4. An analytical model for predicting transport in a coupled vadose/phreatic system

    Energy Technology Data Exchange (ETDEWEB)

    Tomasko, D.

    1997-05-01

    A simple analytical model is presented for predicting the transport of a contaminant in both the unsaturated (vadose) and saturated (phreatic) zones following a surficial spill. The model incorporates advection, dispersion, adsorption, and first-order decay in both zones and couples the transport processes at the water table. The governing equation is solved by using the method of Laplace transforms, with numerical inversion of the Laplace space equation for concentration. Because of the complexity of the functional form for the Laplace space solution, a numerical methodology using the real and imaginary parts of a Fourier series was implemented. To reduce conservatism in the model, dilution at the water table was also included. Verification of the model is demonstrated by its ability to reproduce the source history at the surface and to replicate appropriate one-dimensional transport through either the vadose or phreatic zone. Because of its simplicity and lack of detailed input data requirements, the model is recommended for scoping calculations.

  5. Linking phloem function to structure: analysis with a coupled xylem-phloem transport model.

    Science.gov (United States)

    Hölttä, T; Mencuccini, M; Nikinmaa, E

    2009-07-21

    We carried out a theoretical analysis of phloem transport based on Münch hypothesis by developing a coupled xylem-phloem transport model. Results showed that the maximum sugar transport rate of the phloem was limited by solution viscosity and that transport requirements were strongly affected by prevailing xylem water potential. The minimum number of xylem and phloem conduits required to sustain transpiration and assimilation, respectively, were calculated. At its maximum sugar transport rate, the phloem functioned with a high turgor pressure difference between the sugar sources and sinks but the turgor pressure difference was reduced if additional parallel conduits were added or solute relays were introduced. Solute relays were shown to decrease the number of parallel sieve tubes needed for phloem transport, leading to a more uniform turgor pressure and allowing faster information transmission within the phloem. Because xylem water potential affected both xylem and phloem transport, the conductance of the two systems was found to be coupled such that large structural investments in the xylem reduced the need for investment in the phloem and vice versa.

  6. Heat and Moisture Transport in Unsaturated Porous Media -- A Coupled Model in Terms of Chemical Potential

    CERN Document Server

    Sullivan, Eric

    2013-01-01

    Transport phenomena in porous media are commonplace in our daily lives. Examples and applications include heat and moisture transport in soils, baking and drying of food stuffs, curing of cement, and evaporation of fuels in wild fires. Of particular interest to this study are heat and moisture transport in unsaturated soils. Historically, mathematical models for these processes are derived by coupling classical Darcy's, Fourier's, and Fick's laws with volume averaged conservation of mass and energy and empirically based source and sink terms. Recent experimental and mathematical research has proposed modifications and suggested limitations in these classical equations. The primary goal of this thesis is to derive a thermodynamically consistent system of equations for heat and moisture transport in terms of the chemical potential that addresses some of these limitations. The physical processes of interest are primarily diffusive in nature and, for that reason, we focus on using the macroscale chemical potentia...

  7. Long-term modeling of alteration-transport coupling: Application to a fractured Roman glass

    Science.gov (United States)

    Verney-Carron, Aurélie; Gin, Stéphane; Frugier, Pierre; Libourel, Guy

    2010-04-01

    To improve confidence in glass alteration models, as used in nuclear and natural applications, their long-term predictive capacity has to be validated. For this purpose, we develop a new model that couples geochemical reactions with transport and use a fractured archaeological glass block that has been altered for 1800 years under well-constrained conditions in order to test the capacity of the model. The chemical model considers three steps in the alteration process: (1) formation of a hydrated glass by interdiffusion, whose kinetics are controlled by a pH and temperature dependent diffusion coefficient; (2) the dissolution of the hydrated glass, whose kinetics are based on an affinity law; (3) the precipitation of secondary phases if thermodynamic saturation is reached. All kinetic parameters were determined from experiments. The model was initially tested on alteration experiments in different solutions (pure water, Tris, seawater). It was then coupled with diffusive transport in solution to simulate alteration in cracks within the glass. Results of the simulations run over 1800 years are in good agreement with archaeological glass block observations concerning the nature of alteration products (hydrated glass, smectites, and carbonates) and crack alteration thicknesses. External cracks in direct contact with renewed seawater were altered at the forward dissolution rate and are filled with smectites (400-500 μm). Internal cracks are less altered (by 1 or 2 orders of magnitude) because of the strong coupling between alteration chemistry and transport. The initial crack aperture, the distance to the surface, and sealing by secondary phases account for these low alteration thicknesses. The agreement between simulations and observations thus validates the predictive capacity of this coupled geochemical model and increases more generally the robustness and confidence in glass alteration models to predict long-term behavior of nuclear waste in geological disposal or

  8. Development of a three-dimensional, regional, coupled wave, current, and sediment-transport model

    Science.gov (United States)

    Warner, J.C.; Sherwood, C.R.; Signell, R.P.; Harris, C.K.; Arango, H.G.

    2008-01-01

    We are developing a three-dimensional numerical model that implements algorithms for sediment transport and evolution of bottom morphology in the coastal-circulation model Regional Ocean Modeling System (ROMS v3.0), and provides a two-way link between ROMS and the wave model Simulating Waves in the Nearshore (SWAN) via the Model-Coupling Toolkit. The coupled model is applicable for fluvial, estuarine, shelf, and nearshore (surfzone) environments. Three-dimensional radiation-stress terms have been included in the momentum equations, along with effects of a surface wave roller model. The sediment-transport algorithms are implemented for an unlimited number of user-defined non-cohesive sediment classes. Each class has attributes of grain diameter, density, settling velocity, critical stress threshold for erosion, and erodibility constant. Suspended-sediment transport in the water column is computed with the same advection-diffusion algorithm used for all passive tracers and an additional algorithm for vertical settling that is not limited by the CFL criterion. Erosion and deposition are based on flux formulations. A multi-level bed framework tracks the distribution of every size class in each layer and stores bulk properties including layer thickness, porosity, and mass, allowing computation of bed morphology and stratigraphy. Also tracked are bed-surface properties including active-layer thickness, ripple geometry, and bed roughness. Bedload transport is calculated for mobile sediment classes in the top layer. Bottom-boundary layer submodels parameterize wave-current interactions that enhance bottom stresses and thereby facilitate sediment transport and increase bottom drag, creating a feedback to the circulation. The model is demonstrated in a series of simple test cases and a realistic application in Massachusetts Bay. ?? 2008 Elsevier Ltd. All rights reserved.

  9. Greenhouse gas simulations with a coupled meteorological and transport model: the predictability of CO2

    Science.gov (United States)

    Polavarapu, Saroja M.; Neish, Michael; Tanguay, Monique; Girard, Claude; de Grandpré, Jean; Semeniuk, Kirill; Gravel, Sylvie; Ren, Shuzhan; Roche, Sébastien; Chan, Douglas; Strong, Kimberly

    2016-09-01

    A new model for greenhouse gas transport has been developed based on Environment and Climate Change Canada's operational weather and environmental prediction models. When provided with realistic posterior fluxes for CO2, the CO2 simulations compare well to NOAA's CarbonTracker fields and to near-surface continuous measurements, columns from the Total Carbon Column Observing Network (TCCON) and NOAA aircraft profiles. This coupled meteorological and tracer transport model is used to study the predictability of CO2. Predictability concerns the quantification of model forecast errors and thus of transport model errors. CO2 predictions are used to compute model-data mismatches when solving flux inversion problems and the quality of such predictions is a major concern. Here, the loss of meteorological predictability due to uncertain meteorological initial conditions is shown to impact CO2 predictability. The predictability of CO2 is shorter than that of the temperature field and increases near the surface and in the lower stratosphere. When broken down into spatial scales, CO2 predictability at the very largest scales is mainly due to surface fluxes but there is also some sensitivity to the land and ocean surface forcing of meteorological fields. The predictability due to the land and ocean surface is most evident in boreal summer when biospheric uptake produces large spatial gradients in the CO2 field. This is a newly identified source of uncertainty in CO2 predictions but it is expected to be much less significant than uncertainties in fluxes. However, it serves as an upper limit for the more important source of transport error and loss of predictability, which is due to uncertain meteorological analyses. By isolating this component of transport error, it is demonstrated that CO2 can only be defined on large spatial scales due to the presence of meteorological uncertainty. Thus, for a given model, there is a spatial scale below which fluxes cannot be inferred simply

  10. A Coupled Transport and Chemical Model for Durability Predictions of Cement Based Materials

    DEFF Research Database (Denmark)

    Jensen, Mads Mønster; Johannesson, Björn; Geiker, Mette Rica;

    initial and exposure conditions. Different numerical calcium silicate hydrate reaction approaches are studied and reactive transport modeling results using these are compared. Modeling results of ion ingress are compared with experimental results where mortar samples has been exposed to a NaCl solution...... are coupled by a sorption hysteresis function and the chemical equilibrium is solved in terms of mass actions laws using the geochemical code phreeqc. The overall durability model accounts for, ion diffusion, ion migration, two phase moisture transport including for hysteresis, ionic convection and chemical...... of the algorithm established. A calculated test example shows the model response to varying vapor content at the boundary, where saturated conditions occurs in periods and leaching of ions is only allowed in this period. The effect of the sorption hysteresis function is demonstrated in this test by a comparison...

  11. Modeling the coupled mechanics, transport, and growth processes in collagen tissues.

    Energy Technology Data Exchange (ETDEWEB)

    Holdych, David J.; Nguyen, Thao D.; Klein, Patrick A.; in' t Veld, Pieter J.; Stevens, Mark Jackson

    2006-11-01

    The purpose of this project is to develop tools to model and simulate the processes of self-assembly and growth in biological systems from the molecular to the continuum length scales. The model biological system chosen for the study is the tendon fiber which is composed mainly of Type I collagen fibrils. The macroscopic processes of self-assembly and growth at the fiber scale arise from microscopic processes at the fibrillar and molecular length scales. At these nano-scopic length scales, we employed molecular modeling and simulation method to characterize the mechanical behavior and stability of the collagen triple helix and the collagen fibril. To obtain the physical parameters governing mass transport in the tendon fiber we performed direct numerical simulations of fluid flow and solute transport through an idealized fibrillar microstructure. At the continuum scale, we developed a mixture theory approach for modeling the coupled processes of mechanical deformation, transport, and species inter-conversion involved in growth. In the mixture theory approach, the microstructure of the tissue is represented by the species concentration and transport and material parameters, obtained from fibril and molecular scale calculations, while the mechanical deformation, transport, and growth processes are governed by balance laws and constitutive relations developed within a thermodynamically consistent framework.

  12. Coupled hydrogeological and reactive transport modelling of the Simpevarp area (Sweden)

    Energy Technology Data Exchange (ETDEWEB)

    Molinero, Jorge [Amphos XXI Consulting, S.L. Pg. de Rubi, 29-31, 08197 Valldoreix, Barcelona (Spain)], E-mail: jorge.molinero@amphos21.com; Raposo, Juan R.; Galindez, Juan M. [Escola Politecnica Superior, Universidade de Santiago de Compostela, Campus Universitario s/n, 27002 Lugo (Spain); Arcos, David; Guimera, Jordi [Amphos XXI Consulting, S.L. Pg. de Rubi, 29-31, 08197 Valldoreix, Barcelona (Spain)

    2008-07-15

    The Simpevarp area is one of the alternative sites being considered for the deep geological disposal of high level radioactive waste in Sweden. In this paper, a coupled regional groundwater flow and reactive solute transport model of the Simpevarp area is presented that integrates current hydrogeological and hydrochemical data of the area. The model simulates the current hydrochemical pattern of the groundwater system in the area. To that aim, a conceptual hydrochemical model was developed in order to represent the dominant chemical processes. Groundwater flow conditions were reproduced by taking into account fluid-density-dependent groundwater flow and regional hydrogeologic boundary conditions. Reactive solute transport calculations were performed on the basis of the velocity field so obtained. The model was calibrated and sensitivity analyses were carried out in order to investigate the effects of heterogeneities of hydraulic conductivity in the subsurface medium. Results provided by the reactive transport model are in good agreement with much of the measured hydrochemical data. This paper emphasizes the appropriateness of the use of reactive solute transport models when water-rock interaction reactions are involved, and demonstrates what powerful tools they are for the interpretation of hydrogeological and hydrochemical data from site geological repository characterization programs, by providing a qualitative framework for data analysis and testing of conceptual assumptions in a process-oriented approach.

  13. Coupled porohyperelastic mass transport (PHEXPT) finite element models for soft tissues using ABAQUS.

    Science.gov (United States)

    Vande Geest, Jonathan P; Simon, B R; Rigby, Paul H; Newberg, Tyler P

    2011-04-01

    Finite element models (FEMs) including characteristic large deformations in highly nonlinear materials (hyperelasticity and coupled diffusive/convective transport of neutral mobile species) will allow quantitative study of in vivo tissues. Such FEMs will provide basic understanding of normal and pathological tissue responses and lead to optimization of local drug delivery strategies. We present a coupled porohyperelastic mass transport (PHEXPT) finite element approach developed using a commercially available ABAQUS finite element software. The PHEXPT transient simulations are based on sequential solution of the porohyperelastic (PHE) and mass transport (XPT) problems where an Eulerian PHE FEM is coupled to a Lagrangian XPT FEM using a custom-written FORTRAN program. The PHEXPT theoretical background is derived in the context of porous media transport theory and extended to ABAQUS finite element formulations. The essential assumptions needed in order to use ABAQUS are clearly identified in the derivation. Representative benchmark finite element simulations are provided along with analytical solutions (when appropriate). These simulations demonstrate the differences in transient and steady state responses including finite deformations, total stress, fluid pressure, relative fluid, and mobile species flux. A detailed description of important model considerations (e.g., material property functions and jump discontinuities at material interfaces) is also presented in the context of finite deformations. The ABAQUS-based PHEXPT approach enables the use of the available ABAQUS capabilities (interactive FEM mesh generation, finite element libraries, nonlinear material laws, pre- and postprocessing, etc.). PHEXPT FEMs can be used to simulate the transport of a relatively large neutral species (negligible osmotic fluid flux) in highly deformable hydrated soft tissues and tissue-engineered materials.

  14. A Mathematical Model of Solute Coupled Water Transport in Toad Intestine Incorporating Recirculation of the Actively Transported Solute

    DEFF Research Database (Denmark)

    Larsen, Erik Hviid; Sørensen, Jakob Balslev; Sørensen, Jens Nørkær

    2000-01-01

    A mathematical model of an absorbing leaky epithelium is developed for analysis of solute coupled water transport. The non-charged driving solute diffuses into cells and is pumped from cells into the lateral intercellular space (lis). All membranes contain water channels with the solute passing...... concentration of fluid emerging from lis is then significantly larger than the concentration in lis. Thus, in absence of external driving forces the model generates isotonic transport provided a component of the solute flux emerging downstream lis is taken up by cells through the serosal membrane and pumped...... back into lis, i.e., the solute would have to be recirculated. With input variables from toad intestine (Nedergaard, S., E.H. Larsen, and H.H. Ussing, J. Membr. Biol. 168:241-251), computations predict that 60-80% of the pumped flux stems from serosal bath in agreement with the experimental estimate...

  15. Coupling ANIMO and MT3DMS for 3D regional-scale modeling of nutrient transport in soil and groundwater

    NARCIS (Netherlands)

    Jansen, Gijs M.C.; Del Val Alonso, Laura; Griffioen, Jasper; Groenendijk, P.

    2012-01-01

    We developed an on-line coupling between the 1D/quasi-2D nutrient transport model ANIMO and the 3D groundwater transport model code MT3DMS. ANIMO is a detailed, process-oriented simulation model code for the simulation of nitrate leaching to groundwater, N- and P-loads on surface waters and emission

  16. Coupled incompressible Smoothed Particle Hydrodynamics model for continuum-based modelling sediment transport

    Science.gov (United States)

    Pahar, Gourabananda; Dhar, Anirban

    2017-04-01

    A coupled solenoidal Incompressible Smoothed Particle Hydrodynamics (ISPH) model is presented for simulation of sediment displacement in erodible bed. The coupled framework consists of two separate incompressible modules: (a) granular module, (b) fluid module. The granular module considers a friction based rheology model to calculate deviatoric stress components from pressure. The module is validated for Bagnold flow profile and two standardized test cases of sediment avalanching. The fluid module resolves fluid flow inside and outside porous domain. An interaction force pair containing fluid pressure, viscous term and drag force acts as a bridge between two different flow modules. The coupled model is validated against three dambreak flow cases with different initial conditions of movable bed. The simulated results are in good agreement with experimental data. A demonstrative case considering effect of granular column failure under full/partial submergence highlights the capability of the coupled model for application in generalized scenario.

  17. Development of a Coupled Ocean-Hydrologic Model to Simulate Pollutant Transport in Singapore Coastal Waters

    Science.gov (United States)

    Chua, V. P.

    2015-12-01

    Intensive agricultural, economic and industrial activities in Singapore and Malaysia have made our coastal areas under high risk of water pollution. A coupled ocean-hydrologic model is employed to perform three-dimensional simulations of flow and pollutant transport in Singapore coastal waters. The hydrologic SWAT model is coupled with the coastal ocean SUNTANS model by outputting streamflow and pollutant concentrations from the SWAT model and using them as inputs for the SUNTANS model at common boundary points. The coupled model is calibrated with observed sea surface elevations and velocities, and high correlation coefficients that exceed 0.97 and 0.91 are found for sea surface elevations and velocities, respectively. The pollutants are modeled as Gaussian passive tracers, and are released at five upstream locations in Singapore coastal waters. During the Northeast monsoon, pollutants released in Source 1 (Johor River), Source 2 (Tiram River), Source 3 (Layang River) and Source 4 (Layau River) enter the Singapore Strait after 4 days of release and reach Sentosa Island within 9 days. Meanwhile, pollutants released in Source 5 (Kallang River) reach Sentosa Island after 4 days. During the Southwest monsoon, the dispersion time is roughly doubled, with pollutants from Sources 1 - 4 entering the Singapore Strait only after 12 days of release due to weak currents.

  18. Effect of wind forcing on the meridional heat transport in a coupled climate model: equilibrium response

    Science.gov (United States)

    Yang, Haijun; Dai, Haijin

    2015-09-01

    The effect of the ocean surface winds on the meridional heat transports is studied in a coupled model. Shutting down the global surface winds causes significant reductions in both wind-driven and thermohaline ocean circulations, resulting in a remarkable decrease in the poleward oceanic heat transport (OHT). The sea surface temperature responds with significant warming in the equator and cooling off the equator, causing an enhancement and equatorward shift in the Hadley cell. This increases the poleward atmospheric heat transport (AHT), which in turn compensates the decrease in the OHT. This compensation implies a fundamental constraint in changes of ocean-atmosphere energy transports. Several other compensation changes are also identified. For the OHT components, the changes in the Eulerian mean and bolus OHT are compensated with each other in the Southern Ocean, since a stronger wind driven Ekman transport is associated with a stronger meridional density gradient (stronger bolus circulation) and vice versa. For the AHT components, the changes in the dry static energy (DSE) and latent energy transports are compensated within the tropics (30°N/S), because a stronger Hadley cell causes a stronger equatorward convergence of moisture. In the extratropics, the changes in the mean and eddy DSE transports show perfect compensation, as a result of the equatorward shift of the Ferrell Cell and enhancement of atmospheric baroclinicity in mid-high latitudes, particularly over the North Atlantic. This work also shows how the Earth's climate is trying to maintain the balance between two hemispheres: the ocean in the Northern Hemisphere is colder than that in the Southern Hemisphere due to much reduced northward heat transports cross the Equator in the Atlantic, therefore, the atmosphere responds to the ocean with temperature colder in the Southern Hemisphere than in the Northern Hemisphere by transporting more heat northward cross the equator over the Pacific, in association

  19. Dual states estimation of a subsurface flow-transport coupled model using ensemble Kalman filtering

    KAUST Repository

    El Gharamti, Mohamad

    2013-10-01

    Modeling the spread of subsurface contaminants requires coupling a groundwater flow model with a contaminant transport model. Such coupling may provide accurate estimates of future subsurface hydrologic states if essential flow and contaminant data are assimilated in the model. Assuming perfect flow, an ensemble Kalman filter (EnKF) can be used for direct data assimilation into the transport model. This is, however, a crude assumption as flow models can be subject to many sources of uncertainty. If the flow is not accurately simulated, contaminant predictions will likely be inaccurate even after successive Kalman updates of the contaminant model with the data. The problem is better handled when both flow and contaminant states are concurrently estimated using the traditional joint state augmentation approach. In this paper, we introduce a dual estimation strategy for data assimilation into a one-way coupled system by treating the flow and the contaminant models separately while intertwining a pair of distinct EnKFs, one for each model. The presented strategy only deals with the estimation of state variables but it can also be used for state and parameter estimation problems. This EnKF-based dual state-state estimation procedure presents a number of novel features: (i) it allows for simultaneous estimation of both flow and contaminant states in parallel; (ii) it provides a time consistent sequential updating scheme between the two models (first flow, then transport); (iii) it simplifies the implementation of the filtering system; and (iv) it yields more stable and accurate solutions than does the standard joint approach. We conducted synthetic numerical experiments based on various time stepping and observation strategies to evaluate the dual EnKF approach and compare its performance with the joint state augmentation approach. Experimental results show that on average, the dual strategy could reduce the estimation error of the coupled states by 15% compared with the

  20. Cellular automaton model of precipitation/dissolution coupled with solute transport

    CERN Document Server

    Karapiperis, T

    1995-01-01

    ABSTRACT Precipitation/dissolution reactions coupled with solute transport are modelled as a cellular automaton in which solute molecules perform a random walk on a regular lattice and react according to a local probabilistic rule. Stationary solid particles dissolve with a certain probability and, provided solid is already present or the solution is saturated, solute particles have a probability to precipitate. In our simulation of the dissolution of a solid block inside uniformly flowing water we obtain solid precipitation downstream from the original solid edge, in contrast to the standard reaction-transport equations. The observed effect is the result of fluctuations in solute density and diminishes when we average over a larger ensemble. The additional precipitation of solid is accompanied by a substantial reduction in the relatively small solute concentration. The model is appropriate for the study of the rôle of intrinsic fluctuations in the presence of reaction thresholds and can be employed to inves...

  1. Modeling of Breaching Due to Overtopping Flow and Waves Based on Coupled Flow and Sediment Transport

    CERN Document Server

    He, Zhiguo; Zhao, Liang; Wu, Ganfeng; Pähtz, Thomas

    2015-01-01

    Breaching of earthen or sandy dams/dunes by overtopping flow and waves is a complicated process with strong, unsteady flow, high sediment transport, and rapid bed changes in which the interactions between flow and morphology should not be ignored. This study presents a depth-averaged two-dimensional (2D) coupled flow and sediment transport model to investigate the flow and breaching processes with and without waves. Bed change and variable flow density are included in the flow continuity and momentum equations to consider the impacts of sediment transport. The model adopts the non-equilibrium approach for total-load sediment transport and specifies different repose angles to handle non-cohesive embankment slope avalanching. The equations are solved using an explicit finite volume method on a rectangular grid with the improved Godunov-type central upwind scheme and the nonnegative reconstruction of the water depth method to handle mixed-regime flows near the breach. The model has been tested against two sets o...

  2. Generic Procedure for Coupling the PHREEQC Geochemical Modeling Framework with Flow and Solute Transport Simulators

    Science.gov (United States)

    Wissmeier, L. C.; Barry, D. A.

    2009-12-01

    Computer simulations of water availability and quality play an important role in state-of-the-art water resources management. However, many of the most utilized software programs focus either on physical flow and transport phenomena (e.g., MODFLOW, MT3DMS, FEFLOW, HYDRUS) or on geochemical reactions (e.g., MINTEQ, PHREEQC, CHESS, ORCHESTRA). In recent years, several couplings between both genres of programs evolved in order to consider interactions between flow and biogeochemical reactivity (e.g., HP1, PHWAT). Software coupling procedures can be categorized as ‘close couplings’, where programs pass information via the memory stack at runtime, and ‘remote couplings’, where the information is exchanged at each time step via input/output files. The former generally involves modifications of software codes and therefore expert programming skills are required. We present a generic recipe for remotely coupling the PHREEQC geochemical modeling framework and flow and solute transport (FST) simulators. The iterative scheme relies on operator splitting with continuous re-initialization of PHREEQC and the FST of choice at each time step. Since PHREEQC calculates the geochemistry of aqueous solutions in contact with soil minerals, the procedure is primarily designed for couplings to FST’s for liquid phase flow in natural environments. It requires the accessibility of initial conditions and numerical parameters such as time and space discretization in the input text file for the FST and control of the FST via commands to the operating system (batch on Windows; bash/shell on Unix/Linux). The coupling procedure is based on PHREEQC’s capability to save the state of a simulation with all solid, liquid and gaseous species as a PHREEQC input file by making use of the dump file option in the TRANSPORT keyword. The output from one reaction calculation step is therefore reused as input for the following reaction step where changes in element amounts due to advection

  3. Development of CO2 inversion system based on the adjoint of the global coupled transport model

    Science.gov (United States)

    Belikov, Dmitry; Maksyutov, Shamil; Chevallier, Frederic; Kaminski, Thomas; Ganshin, Alexander; Blessing, Simon

    2014-05-01

    We present the development of an inverse modeling system employing an adjoint of the global coupled transport model consisting of the National Institute for Environmental Studies (NIES) Eulerian transport model (TM) and the Lagrangian plume diffusion model (LPDM) FLEXPART. NIES TM is a three-dimensional atmospheric transport model, which solves the continuity equation for a number of atmospheric tracers on a grid spanning the entire globe. Spatial discretization is based on a reduced latitude-longitude grid and a hybrid sigma-isentropic coordinate in the vertical. NIES TM uses a horizontal resolution of 2.5°×2.5°. However, to resolve synoptic-scale tracer distributions and to have the ability to optimize fluxes at resolutions of 0.5° and higher we coupled NIES TM with the Lagrangian model FLEXPART. The Lagrangian component of the forward and adjoint models uses precalculated responses of the observed concentration to the surface fluxes and 3-D concentrations field simulated with the FLEXPART model. NIES TM and FLEXPART are driven by JRA-25/JCDAS reanalysis dataset. Construction of the adjoint of the Lagrangian part is less complicated, as LPDMs calculate the sensitivity of measurements to the surrounding emissions field by tracking a large number of "particles" backwards in time. Developing of the adjoint to Eulerian part was performed with automatic differentiation tool the Transformation of Algorithms in Fortran (TAF) software (http://www.FastOpt.com). This method leads to the discrete adjoint of NIES TM. The main advantage of the discrete adjoint is that the resulting gradients of the numerical cost function are exact, even for nonlinear algorithms. The overall advantages of our method are that: 1. No code modification of Lagrangian model is required, making it applicable to combination of global NIES TM and any Lagrangian model; 2. Once run, the Lagrangian output can be applied to any chemically neutral gas; 3. High-resolution results can be obtained over

  4. Solute transport modelling in a coupled water and heat flow system applied to cold regions hydrogeology

    Science.gov (United States)

    Frampton, Andrew; Destouni, Georgia

    2016-04-01

    In cold regions, flow in the unsaturated zone is highly dynamic with seasonal variability and changes in temperature, moisture, and heat and water fluxes, all of which affect ground freeze-thaw processes and influence transport of inert and reactive waterborne substances. In arctic permafrost environments, near-surface groundwater flow is further restricted to a relatively shallow and seasonally variable active layer, confined by perennially frozen ground below. The active layer is typically partially saturated with ice, liquid water and air, and is strongly dependent on seasonal temperature fluctuations, thermal forcing and infiltration patterns. Here there is a need for improved understanding of the mechanisms controlling subsurface solute transport in the partially saturated active layer zone. Studying solute transport in cold regions is relevant to improve the understanding of how natural and anthropogenic pollution may change as activities in arctic and sub-arctic regions increase. It is also particularly relevant for understanding how dissolved carbon is transported in coupled surface and subsurface hydrological systems under climate change, in order to better understand the permafrost-hydrological-carbon climate feedback. In this contribution subsurface solute transport under surface warming and degrading permafrost conditions is studied using a physically based model of coupled cryotic and hydrogeological flow processes combined with a particle tracking method. Changes in subsurface water flows and solute transport travel times are analysed for different modelled geological configurations during a 100-year warming period. Results show that for all simulated cases, the minimum and mean travel times increase non-linearly with warming irrespective of geological configuration and heterogeneity structure. The travel time changes are shown to depend on combined warming effects of increase in pathway length due to deepening of the active layer, reduced transport

  5. A three-dimensional, wave-current coupled, sediment transport model for POM

    Institute of Scientific and Technical Information of China (English)

    WANG Xiao-hua

    2010-01-01

    In the high-energy environment of coastal seas and estuaries,strong sediment resuspension/ deposition events are driven by surface waves,tides,winds and buoyancy driven currents.In recent years,A POM based three-dimensional ,wave-current coupled ,sediment transport model has been developed by the University of New South Wales.This paper presents several examples of the model applications to study sediment dynamics in the environments where forcings such as waves,tides, and winds are equally important to affect sediment fluxes and distributions.Firstly,the sediment transport model coupled to the Yellow Sea general circulation model and a third generation wave model SWAN was implemented in the Yellow Sea to study the dynamics of the sediment transport and resuspension in the northern Jiangsu shoal-water(NJSW).The sediment distributions and fluxes and their inter-annual variability were studied by realistic numerical simulations.The study found that the surface waves played a dominant role over the tides to form the turbidity maxima along the muddy coast of NJSW. Secondly,the sediment transport model was used to explore the effect of suspended sediment-induced stratificationin the bottom boundary layer(BBL).The model uses a re-parameterized bottom drag coefficient Cd that incorporates a linear stability function of flux Richardson number RsThe study has shown that the sediment induced stratification in the BBL reduces the vertical eddy viscosity and bottom shear stress in comparison with the model prediction in a neutrally stratified BBL.In response to these apparent reductions,the tidal current shear is increased and sediments are abnormally concentrated within a thin wall layer that is overlain by a thicker layer with much smaller concentration.The formation of this fluid-mud layer near the seabed has led to a significant reduction in the total sediment transport.This study contributes to the understanding of formations of tidal flats along the coasts of turbid seas

  6. A Coupling Kinetics Model for Pollutant Release and Transport in the Process of Landfill Settlement

    Directory of Open Access Journals (Sweden)

    Ying Zhao

    2012-09-01

    Full Text Available A coupling kinetics model is developed to simulate the release and transport of landfill leachate pollutants in a deformable municipal solid waste landfill by taking into account of landfill settlement, seepage of leachate water, hydrolyse of insoluble and degradable organic pollutants in solid phase, biodegradation of soluble and degradable organic pollutants in solid phase and aqueous one, growth of aerobic and anaerobic microorganism, and consumption of dissolved oxygen. The release and transport of organic pollutants and microorganisms in landfills in the process of landfill settlement was simulated by considering no hydraulic effect. Simulation results demonstrated that the interaction between landfill settlement and the release, transport and biodegradation of landfill leachate pollutants was significant. Porosity and saturated hydraulic conductivity were not constants because of the landfill settlement, which affected the release, transport and biodegradation of landfill leachate pollutants, and furthermore acted on the landfill settlement. The simulation results accorded with the practical situation, which preliminarily verified the reliability of the mathematical model and the numerical program in this paper.

  7. Modeling substrate-bacteria-grazer interactions coupled to substrate transport in groundwater

    Science.gov (United States)

    Bajracharya, Bijendra M.; Lu, Chuanhe; Cirpka, Olaf A.

    2014-05-01

    Models of microbial dynamics coupled to solute transport in aquifers typically require the introduction of a bacterial capacity term to prevent excessive microbial growth close to substrate-injection boundaries. The factors controlling this carrying capacity, however, are not fully understood. In this study, we propose that grazers or bacteriophages may control the density of bacterial biomass in continuously fed porous media. We conceptualize the flow-through porous medium as a series of retentostats, in which the dissolved substrate is advected with water flow whereas the biomasses of bacteria and grazers are considered essentially immobile. We first model a single retentostat with Monod kinetics of bacterial growth and a second-order grazing law, which shows that the system oscillates but approaches a stable steady state with nonzero concentrations of substrate, bacteria, and grazers. The steady state concentration of the bacteria biomass is independent of the substrate concentration in the inflow. When coupling several retentostats in a series to mimic a groundwater column, the steady state bacteria concentrations thus remain at a constant level over a significant travel distance. The one-dimensional reactive transport model also accounts for substrate dispersion and a random walk of grazers influenced by the bacteria concentration. These dispersive-diffusive terms affect the oscillations until steady state is reached, but hardly the steady state value itself. We conclude that grazing, or infection by bacteriophages, is a possible explanation of the maximum biomass concentration frequently needed in bioreactive transport models. Its value depends on parameters related to the grazers or bacteriophages and is independent of bacterial growth parameters or substrate concentration, provided that there is enough substrate to sustain bacteria and grazers.

  8. Modeling of Breaching Due to Overtopping Flow and Waves Based on Coupled Flow and Sediment Transport

    Directory of Open Access Journals (Sweden)

    Zhiguo He

    2015-08-01

    Full Text Available Breaching of earthen or sandy dams/dunes by overtopping flow and waves is a complicated process with strong, unsteady flow, high sediment transport, and rapid bed changes in which the interactions between flow and morphology should not be ignored. This study presents a depth-averaged two-dimensional (2D coupled flow and sediment transport model to investigate the flow and breaching processes with and without waves. Bed change and variable flow density are included in the flow continuity and momentum equations to consider the impacts of sediment transport. The model adopts the non-equilibrium approach for total-load sediment transport and specifies different repose angles to handle non-cohesive embankment slope avalanching. The equations are solved using an explicit finite volume method on a rectangular grid with the improved Godunov-type central upwind scheme and the nonnegative reconstruction of the water depth method to handle mixed-regime flows near the breach. The model has been tested against two sets of experimental data which show that it well simulates the flow characteristics, bed changes, and sediment transport. It is then applied to analyze flow and morphologic changes by overtopping flow with and without waves. The simulated bed change and breach cross-section shape show a significant difference if waves are considered. Erosion by flow without waves mainly occurs at the breach and is dominated by vertical erosion at the initial stage followed by the lateral erosion. With waves, the flow overtops the entire length of the dune to cause faster erosion along the entire length. Erosion mainly takes place at the upper layer at the initial stage and gradually accelerates as the height of the dune reduces and flow discharge increases, which indicates the simulated results with waves shall be further verified by physical experimental evidence.

  9. Reactive transport modeling of coupled inorganic and organic processes in groundwater

    Energy Technology Data Exchange (ETDEWEB)

    Brun, Adam

    1997-12-31

    The main goals of this project are to develop and apply a reactive transport code for simulation of coupled organic and inorganic processes in the pollution plume in the ground water down-gradient from the Vejen landfill, Denmark. The detailed field investigations in this aquifer have previously revealed a complex pattern of strongly interdependent organic and inorganic processes. These processes occur simultaneously in a flow and transport system where the mixing of reactive species is influenced by the rather complex geology in the vicinity of the landfill. The removal of organic matter is influenced by the presence of various electron acceptors that also are involved in various inorganic geochemical reactions. It was concluded from the investigations that degradation of organic matter, complexation, mineral precipitation and dissolution, ion-exchange and inorganic redox reactions, as a minimum, should be included in the formulation of the model. The coupling of the organic and inorganic processes is developed based on a literature study. All inorganic processes are as an approximation described as equilibriumm processes. The organic processes are described by a maximum degradation rate that is decreased according to the availability of the participants in the processes, the actual pH, and the presence of inhibiting species. The reactive transport code consists of three separate codes, a flow and transport code, a geochemical code, and a biodegradation code. An iterative solution scheme couples the three codes. The coupled code was successfully verified for simple problems for which analytical solutions exist. For more complex problems the code was tested on synthetic cases and expected plume behavior was successfully simulated. Application of the code to the Vejen landfill aquifer was successful to the degree that the redox zonation down-gradient from the landfill was simulated correctly and that several of the simulated plumes showed a reasonable agreement with

  10. A CONSERVATIVE COUPLED FLOW/TRANSPORT MODEL WITH ZERO MASS ERROR

    Institute of Scientific and Technical Information of China (English)

    BAI Lu-hai; JIN Sheng

    2009-01-01

    A fully conservative form applied to a coupled system of two-dimensional water flow and solute motion is presented. A cell-centred finite volume method based on Roe's approximate Riemann solver with unstructured grids is formulated. The bed slope source terms are discretized following an upwind approach and a semi-implicit treatment is used for the friction source terms. The centered discretization of the diffusion terms is in an implicit way. It is shown that this numerical technique reproduces almost exactly the steady state of still water and enables to achieve zero numerical errors in unsteady flow over configurations with strong variations on bed slope. The model ensures a global conservation and positive values of both water level and solute concentration. Numerical results show the effectiveness of the model in solute transport over real complex geometries.

  11. Model of polar auxin transport coupled to mechanical forces retrieves robust morphogenesis along the Arabidopsis root

    Science.gov (United States)

    Romero-Arias, J. Roberto; Hernández-Hernández, Valeria; Benítez, Mariana; Alvarez-Buylla, Elena R.; Barrio, Rafael A.

    2017-03-01

    Stem cells are identical in many scales, they share the same molecular composition, DNA, genes, and genetic networks, yet they should acquire different properties to form a functional tissue. Therefore, they must interact and get some external information from their environment, either spatial (dynamical fields) or temporal (lineage). In this paper we test to what extent coupled chemical and physical fields can underlie the cell's positional information during development. We choose the root apical meristem of Arabidopsis thaliana to model the emergence of cellular patterns. We built a model to study the dynamics and interactions between the cell divisions, the local auxin concentration, and physical elastic fields. Our model recovers important aspects of the self-organized and resilient behavior of the observed cellular patterns in the Arabidopsis root, in particular, the reverse fountain pattern observed in the auxin transport, the PIN-FORMED (protein family of auxin transporters) polarization pattern and the accumulation of auxin near the region of maximum curvature in a bent root. Our model may be extended to predict altered cellular patterns that are expected under various applied auxin treatments or modified physical growth conditions.

  12. Coupled flow and salinity transport modelling in semi-arid environments: The Shashe River Valley, Botswana

    Science.gov (United States)

    Bauer, Peter; Held, Rudolf J.; Zimmermann, Stephanie; Linn, Flenner; Kinzelbach, Wolfgang

    2006-01-01

    Numerical groundwater modelling is used as the base for sound aquifer system analysis and water resources assessment. In many cases, particularly in semi-arid and arid regions, groundwater flow is intricately linked to salinity transport. A case in point is the Shashe River Valley in Botswana. A freshwater aquifer located around an ephemeral stream is depleted by the combined effect of transpiration and pumping. Quantitative system analysis reveals that the amount of water taken by transpiration is far more than the quantities pumped for water supply. Furthermore, the salinity distribution in and around Shashe River Valley as well as its temporal dynamics can be satisfactorily reproduced if the transpiration is modelled as a function of groundwater salinity. The location and dynamics of the saltwater-freshwater interface are highly sensitive to the parameterization of evaporative and transpirative salt enrichment. An existing numerical code for coupled flow/transport simulations (SEAWAT) was adapted to this situation. Model results were checked against a large set of field data including water levels, water chemistry, isotope data and ground and airborne geophysical data. The resulting groundwater model was able to reproduce the long-term development of the freshwater lens located in Shashe River Valley as well as the decline in piezometric heads observed over the last decade. Furthermore, the old age of the saline water surrounding the central freshwater lens could be explained.

  13. Bedload Transport on Steep Slopes with Coupled Modeling Based on the Discrete Element Method

    Science.gov (United States)

    Chauchat, J.; Maurin, R.; Chareyre, B.; Frey, P.

    2014-12-01

    After more than a century of research, a clear understanding of the physical processes involved in sediment transport problems is still lacking. In particular, modeling of intergranular interactions and fluid-particle interactions in bedload transport need to be improved. In this contribution, we propose a simple numerical model coupling a Discrete Element Method (DEM) for the grain dynamics with a simple 1D vertical fluid phase model inspired from the two-phase approach [1] in order to contribute to this open question. The Reynolds stress is parameterized by a mixing length model which depends on the integral of the grain volume fraction. The coupling between the grains and the fluid phase is essentially achieved through buoyancy and drag forces. The open source DEM code Yade [2] is used with a linear spring-dashpot contact law that allows the description of the behavior of the particles from the quasi-static to the dynamical state. The model is compared with classical results [3] and with particle-scale experimental results obtained in the quasi-2D flume at IRSTEA, Grenoble [4]. We discuss the closures of the model and the sensitivity to the different physical and numerical parameters. [1] Revil-Baudard, T. and J. Chauchat. A two-phase model for sheet flow regime based on dense granular flow rheology. Journal of Geophysical Research: Oceans, 118(2):619-634, 2013. [2] Šmilauer V. , E. Catalano, B. Chareyre, S. Dorofeenko, J. Duriez, A. Gladky, J. Kozicki, C . Modenese, L. Scholtès, L. Sibille, J. Str.nský, and K. Thoeni. Yade Documentation (V. Šmilauer, ed.), The Yade Project, 1st ed., http://yade-dem.org/doc/., 2010. [3] Meyer-Peter, E. and R. Müller. Formulas for bed-load transport. In Proc. 2nd Meeting, pages 39-64. IAHR, 1948. [4] Frey, P. Particle velocity and concentration profiles in bedload experiments on a steep slope. Earth Surface Processes and Landforms, 39(5):646-655, 2014.

  14. Final Report Coupling in silico microbial models with reactive transport models to predict the fate of contaminants in the subsurface.

    Energy Technology Data Exchange (ETDEWEB)

    Lovley, Derek R.

    2012-10-31

    This project successfully accomplished its goal of coupling genome-scale metabolic models with hydrological and geochemical models to predict the activity of subsurface microorganisms during uranium bioremediation. Furthermore, it was demonstrated how this modeling approach can be used to develop new strategies to optimize bioremediation. The approach of coupling genome-scale metabolic models with reactive transport modeling is now well enough established that it has been adopted by other DOE investigators studying uranium bioremediation. Furthermore, the basic principles developed during our studies will be applicable to much broader investigations of microbial activities, not only for other types of bioremediation, but microbial metabolism in diversity of environments. This approach has the potential to make an important contribution to predicting the impact of environmental perturbations on the cycling of carbon and other biogeochemical cycles.

  15. Hydrology and phosphorus transport simulation in a lowland polder by a coupled modeling system.

    Science.gov (United States)

    Yan, Renhua; Huang, Jiacong; Li, Lingling; Gao, Junfeng

    2017-08-01

    Modeling the rain-runoff processes and phosphorus transport processes in lowland polders is critical in finding reasonable measures to alleviate the eutrophication problem of downstream rivers and lakes. This study develops a lowland Polder Hydrology and Phosphorus modeling System (PHPS) by coupling the WALRUS-paddy model and an improved phosphorus module of a Phosphorus Dynamic model for lowland Polder systems (PDP). It considers some important hydrological characteristics, such as groundwater-unsaturated zone coupling, groundwater-surface water feedback, human-controlled irrigation and discharge, and detailed physical and biochemical cycles of phosphorus in surface water. The application of the model in the Jianwei polder shows that the simulated phosphorus matches well with the measured values. The high precision of this model combined with its low input data requirement and efficient computation make it practical and easy to the water resources management of Chinese polders. Parameter sensitivity analysis demonstrates that Kuptake, cQ2, cW1, and cQ1 exert a significant effect on the modeled results, whereas KresuspensionMax, Ksettling, and Kmineralization have little effect on the modeled total phosphorus. Among the three types of uncertainties (i.e., parameter, initial condition, and forcing uncertainties), forcing uncertainty produces the strongest effect on the simulated phosphorus. Based on the analysis result of annual phosphorus balance when considering the high import from irrigation and fertilization, lowland polder is capable of retaining phosphorus and reducing phosphorus export to surrounding aquatic ecosystems because of their special hydrological regulation regime. Copyright © 2016 Elsevier Ltd. All rights reserved.

  16. Coupled Transport/Reaction Modelling of Copper Canister Corrosion Aided by Microbial Processes

    Energy Technology Data Exchange (ETDEWEB)

    Jinsong Liu [Royal Institute of Technology, Stockholm (Sweden). Dept. of Chemical Engineering and Technology

    2006-04-15

    Copper canister corrosion is an important issue in the concept of a nuclear fuel repository. Previous studies indicate that the oxygen-free copper canister could hold its integrity for more than 100,000 years in the repository environment. Microbial processes may reduce sulphate to sulphide and considerably increase the amount of sulphides available for corrosion. In this paper, a coupled transport/reaction model is developed to account for the transport of chemical species produced by microbial processes. The corroding agents like sulphide would come not only from the groundwater flowing in a fracture that intersects the canister, but also from the reduction of sulphate near the canister. The reaction of sulphate-reducing bacteria and the transport of sulphide in the bentonite buffer are included in the model. The depth of copper canister corrosion is calculated by the model. With representative 'central values' of the concentrations of sulphate and methane at repository depth at different sites in Fennoscandian Shield the corrosion depth predicted by the model is a few millimetres during 10{sup 5} years. As the concentrations of sulphate and methane are extremely site-specific and future climate changes may significantly influence the groundwater compositions at potential repository sites, sensitivity analyses have been conducted. With a broad perspective of the measured concentrations at different sites in Sweden and in Finland, and some possible mechanisms (like the glacial meltwater intrusion and interglacial seawater intrusion) that may introduce more sulphate into the groundwater at intermediate depths during future climate changes, higher concentrations of either/both sulphate and methane than what is used as the representative 'central' values would be possible. In worst cases. locally, half of the canister thickness could possibly be corroded within 10{sup 5} years.

  17. Development of the universal and simplified soil model coupling heat and water transport

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    It is very important to develop a universal soil model with higher simplicity and more accuracy, which can be widely applied to very general cases such as wet or dry soil, frozen or unfrozen soil and homogeneous or heterogeneous soil. Firstly in this study, based on analysis of both magnitude order and the numerical simulation results, the universal and simplified soil model (USSM) coupling heat and mass transport processes is developed. Secondly, in order to avoid the greater uncertainty caused by the phase change term in numerical iteration process for the model solution obtaining, new version of the universal simplified soil model (NUSSM) is further derived through variables transformation, and accordingly a more efficient numerical scheme for the new version is designed well. The simulation results from the NUSSM agree with the results from more complicated and accurate soil model very well, also reasonably reproduce the observed data under widely real conditions. The new version model, because of its simplicity, will match for the development of land surface model.

  18. Transport in semiconductor nanowire superlattices described by coupled quantum mechanical and kinetic models.

    Science.gov (United States)

    Alvaro, M; Bonilla, L L; Carretero, M; Melnik, R V N; Prabhakar, S

    2013-08-21

    In this paper we develop a kinetic model for the analysis of semiconductor superlattices, accounting for quantum effects. The model consists of a Boltzmann-Poisson type system of equations with simplified Bhatnagar-Gross-Krook collisions, obtained from the general time-dependent Schrödinger-Poisson model using Wigner functions. This system for superlattice transport is supplemented by the quantum mechanical part of the model based on the Ben-Daniel-Duke form of the Schrödinger equation for a cylindrical superlattice of finite radius. The resulting energy spectrum is used to characterize the Fermi-Dirac distribution that appears in the Bhatnagar-Gross-Krook collision, thereby coupling the quantum mechanical and kinetic parts of the model. The kinetic model uses the dispersion relation obtained by the generalized Kronig-Penney method, and allows us to estimate radii of quantum wire superlattices that have the same miniband widths as in experiments. It also allows us to determine more accurately the time-dependent characteristics of superlattices, in particular their current density. Results, for several experimentally grown superlattices, are discussed in the context of self-sustained coherent oscillations of the current density which are important in an increasing range of current and potential applications.

  19. Direct coupling of a genome-scale microbial in silico model and a groundwater reactive transport model

    Science.gov (United States)

    Fang, Yilin; Scheibe, Timothy D.; Mahadevan, Radhakrishnan; Garg, Srinath; Long, Philip E.; Lovley, Derek R.

    2011-03-01

    The activity of microorganisms often plays an important role in dynamic natural attenuation or engineered bioremediation of subsurface contaminants, such as chlorinated solvents, metals, and radionuclides. To evaluate and/or design bioremediated systems, quantitative reactive transport models are needed. State-of-the-art reactive transport models often ignore the microbial effects or simulate the microbial effects with static growth yield and constant reaction rate parameters over simulated conditions, while in reality microorganisms can dynamically modify their functionality (such as utilization of alternative respiratory pathways) in response to spatial and temporal variations in environmental conditions. Constraint-based genome-scale microbial in silico models, using genomic data and multiple-pathway reaction networks, have been shown to be able to simulate transient metabolism of some well studied microorganisms and identify growth rate, substrate uptake rates, and byproduct rates under different growth conditions. These rates can be identified and used to replace specific microbially-mediated reaction rates in a reactive transport model using local geochemical conditions as constraints. We previously demonstrated the potential utility of integrating a constraint-based microbial metabolism model with a reactive transport simulator as applied to bioremediation of uranium in groundwater. However, that work relied on an indirect coupling approach that was effective for initial demonstration but may not be extensible to more complex problems that are of significant interest (e.g., communities of microbial species and multiple constraining variables). Here, we extend that work by presenting and demonstrating a method of directly integrating a reactive transport model (FORTRAN code) with constraint-based in silico models solved with IBM ILOG CPLEX linear optimizer base system (C library). The models were integrated with BABEL, a language interoperability tool. The

  20. Modeling multicomponent ionic transport in groundwater with IPhreeqc coupling: Electrostatic interactions and geochemical reactions in homogeneous and heterogeneous domains

    Science.gov (United States)

    Muniruzzaman, Muhammad; Rolle, Massimo

    2016-12-01

    The key role of small-scale processes like molecular diffusion and electrochemical migration has been increasingly recognized in multicomponent reactive transport in saturated porous media. In this study, we propose a two-dimensional multicomponent reactive transport model taking into account the electrostatic interactions during transport of charged ions in physically and chemically heterogeneous porous media. The modeling approach is based on the local charge balance and on the description of compound-specific and spatially variable diffusive/dispersive fluxes. The multicomponent ionic transport code is coupled with the geochemical code PHREEQC-3 by utilizing the IPhreeqc module, thus enabling to perform the geochemical calculations included in the PHREEQC's reaction package. The multicomponent reactive transport code is benchmarked with different 1-D and 2-D transport problems. Successively, conservative and reactive transport examples are presented to demonstrate the capability of the proposed model to simulate transport of charged species in heterogeneous porous media with spatially variable physical and chemical properties. The results reveal that the Coulombic cross-coupling between dispersive fluxes can significantly influence conservative as well as reactive transport of charged species both at the laboratory and at the field scale.

  1. Coupled Normal Heat and Matter Transport in a Simple Model System

    Energy Technology Data Exchange (ETDEWEB)

    Mejia-Monasterio, C.; Larralde, H.; Leyvraz, F.

    2001-06-11

    We introduce the first simple mechanical system that shows fully realistic transport behavior while still being exactly solvable at the level of equilibrium statistical mechanics. The system is a Lorentz gas with fixed freely rotating circular scatterers which scatter point particles via perfectly rough collisions. Upon imposing either a temperature gradient and/or a chemical potential gradient, a stationary state is attained for which local thermal equilibrium holds. Transport in this system is normal in the sense that the transport coefficients which characterize the flow of heat and matter are finite in the thermodynamic limit. Moreover, the two flows are nontrivially coupled, satisfying Onsager{close_quote}s reciprocity relations.

  2. Salt tectonics and shallow subseafloor fluid convection: models of coupled fluid-heat-salt transport

    Science.gov (United States)

    Wilson, A.; Ruppel, C.

    2007-01-01

    Thermohaline convection associated with salt domes has the potential to drive significant fluid flow and mass and heat transport in continental margins, but previous studies of fluid flow associated with salt structures have focused on continental settings or deep flow systems of importance to petroleum exploration. Motivated by recent geophysical and geochemical observations that suggest a convective pattern to near-seafloor pore fluid flow in the northern Gulf of Mexico (GoMex), we devise numerical models that fully couple thermal and chemical processes to quantify the effects of salt geometry and seafloor relief on fluid flow beneath the seafloor. Steady-state models that ignore halite dissolution demonstrate that seafloor relief plays an important role in the evolution of shallow geothermal convection cells and that salt at depth can contribute a thermal component to this convection. The inclusion of faults causes significant, but highly localized, increases in flow rates at seafloor discharge zones. Transient models that include halite dissolution show the evolution of flow during brine formation from early salt-driven convection to later geothermal convection, characteristics of which are controlled by the interplay of seafloor relief and salt geometry. Predicted flow rates are on the order of a few millimeters per year or less for homogeneous sediments with a permeability of 10−15 m2, comparable to compaction-driven flow rates. Sediment permeabilities likely fall below 10−15 m2 at depth in the GoMex basin, but such thermohaline convection can drive pervasive mass transport across the seafloor, affecting sediment diagenesis in shallow sediments. In more permeable settings, such flow could affect methane hydrate stability, seafloor chemosynthetic communities, and the longevity of fluid seeps.

  3. A Biophysical Model for Hawaiian Coral Reefs: Coupling Local Ecology, Larval Transport and Climate Change

    Science.gov (United States)

    Kapur, M. R.

    2016-02-01

    Simulative models of reef ecosystems have been used to evaluate ecological responses to a myriad of disturbance events, including fishing pressure, coral bleaching, invasion by alien species, and nutrient loading. The Coral Reef Scenario Evaluation Tool (CORSET), has been developed and instantiated for both the Meso-American Reef (MAR) and South China Sea (SCS) regions. This model is novel in that it accounts for the many scales at which reef ecosystem processes take place; is comprised of a "bottom-up" structure wherein complex behaviors are not pre-programmed, but emergent and highly portable to new systems. Local-scale dynamics are coupled across regions through larval connectivity matrices, derived sophisticated particle transport simulations that include key elements of larval behavior. By this approach, we are able to directly evaluate some of the potential consequences of larval connectivity patterns across a range of spatial scales and under multiple climate scenarios. This work develops and applies the CORSET (Coral Reef Scenario Evaluation Tool) to the Main Hawaiian Islands under a suite of climate and ecological scenarios. We introduce an adaptation constant into reef-building coral dynamics to simulate observed resiliencies to bleaching events. This presentation will share results from the model's instantiation under two Resource Concentration Pathway climate scenarios, with emphasis upon larval connectivity dynamics, emergent coral tolerance to increasing thermal anomalies, and patterns of spatial fishing closures. Results suggest that under a business-as-usual scenario, thermal tolerance and herbivore removal will have synergistic effects on reef resilience.

  4. Lessons from a low-order coupled chemistry meteorology model and applications to a high-dimensional chemical transport model

    Science.gov (United States)

    Haussaire, Jean-Matthieu; Bocquet, Marc

    2016-04-01

    Atmospheric chemistry models are becoming increasingly complex, with multiphasic chemistry, size-resolved particulate matter, and possibly coupled to numerical weather prediction models. In the meantime, data assimilation methods have also become more sophisticated. Hence, it will become increasingly difficult to disentangle the merits of data assimilation schemes, of models, and of their numerical implementation in a successful high-dimensional data assimilation study. That is why we believe that the increasing variety of problems encountered in the field of atmospheric chemistry data assimilation puts forward the need for simple low-order models, albeit complex enough to capture the relevant dynamics, physics and chemistry that could impact the performance of data assimilation schemes. Following this analysis, we developped a low-order coupled chemistry meteorology model named L95-GRS [1]. The advective wind is simulated by the Lorenz-95 model, while the chemistry is made of 6 reactive species and simulates ozone concentrations. With this model, we carried out data assimilation experiments to estimate the state of the system as well as the forcing parameter of the wind and the emissions of chemical compounds. This model proved to be a powerful playground giving insights on the hardships of online and offline estimation of atmospheric pollution. Building on the results on this low-order model, we test advanced data assimilation methods on a state-of-the-art chemical transport model to check if the conclusions obtained with our low-order model still stand. References [1] Haussaire, J.-M. and Bocquet, M.: A low-order coupled chemistry meteorology model for testing online and offline data assimilation schemes, Geosci. Model Dev. Discuss., 8, 7347-7394, doi:10.5194/gmdd-8-7347-2015, 2015.

  5. Discontinuous finite volume element discretization for coupled flow-transport problems arising in models of sedimentation

    Science.gov (United States)

    Bürger, Raimund; Kumar, Sarvesh; Ruiz-Baier, Ricardo

    2015-10-01

    The sedimentation-consolidation and flow processes of a mixture of small particles dispersed in a viscous fluid at low Reynolds numbers can be described by a nonlinear transport equation for the solids concentration coupled with the Stokes problem written in terms of the mixture flow velocity and the pressure field. Here both the viscosity and the forcing term depend on the local solids concentration. A semi-discrete discontinuous finite volume element (DFVE) scheme is proposed for this model. The numerical method is constructed on a baseline finite element family of linear discontinuous elements for the approximation of velocity components and concentration field, whereas the pressure is approximated by piecewise constant elements. The unique solvability of both the nonlinear continuous problem and the semi-discrete DFVE scheme is discussed, and optimal convergence estimates in several spatial norms are derived. Properties of the model and the predicted space accuracy of the proposed formulation are illustrated by detailed numerical examples, including flows under gravity with changing direction, a secondary settling tank in an axisymmetric setting, and batch sedimentation in a tilted cylindrical vessel.

  6. Modeling greenhouse gas emissions and nutrient transport in managed arable soils with a fully coupled hydrology-biogeochemical modeling system

    Science.gov (United States)

    Haas, Edwin; Klatt, Steffen; Kiese, Ralf; Butterbach-Bahl, Klaus; Kraft, Philipp; Breuer, Lutz

    2015-04-01

    The use of mineral nitrogen fertilizer sustains the global food production and therefore the livelihood of human kind. The rise in world population will put pressure on the global agricultural system to increase its productivity leading most likely to an intensification of mineral nitrogen fertilizer use. The fate of excess nitrogen and its distribution within landscapes is manifold. Process knowledge on the site scale has rapidly grown in recent years and models have been developed to simulate carbon and nitrogen cycling in managed ecosystems on the site scale. Despite first regional studies, the carbon and nitrogen cycling on the landscape or catchment scale is not fully understood. In this study we present a newly developed modelling approach by coupling the fully distributed hydrology model CMF (catchment modelling framework) to the process based regional ecosystem model LandscapeDNDC for the investigation of hydrological processes and carbon and nitrogen transport and cycling, with a focus on nutrient displacement and resulting greenhouse gas emissions in various virtual landscapes / catchment to demonstrate the capabilities of the modelling system. The modelling system was applied to simulate water and nutrient transport at the at the Yanting Agro-ecological Experimental Station of Purple Soil, Sichuan province, China. The catchment hosts cypress forests on the outer regions, arable fields on the sloping croplands cultivated with wheat-maize rotations and paddy rice fields in the lowland. The catchment consists of 300 polygons vertically stratified into 10 soil layers. Ecosystem states (soil water content and nutrients) and fluxes (evapotranspiration) are exchanged between the models at high temporal scales (hourly to daily) forming a 3-dimensional model application. The water flux and nutrients transport in the soil is modelled using a 3D Richards/Darcy approach for subsurface fluxes with a kinematic wave approach for surface water runoff and the

  7. Woody debris transport modelling by a coupled DE-SW approach

    Science.gov (United States)

    Persi, Elisabetta; Petaccia, Gabriella; Sibilla, Stefano

    2016-04-01

    The presence of wood in rivers is gaining more and more attention: on one side, the inclusion of woody debris in streams is emphasized for its ecological benefits; on the other hand, particular attention must be paid to its management, not to affect hydraulic safety. Recent events have shown that wood can be mobilized during floodings (Comiti et al. 2008, Lange and Bezzola 2006), aggravating inundations, in particular near urban areas. For this reason, the inclusion of woody debris influence on the prediction of flooded areas is an important step toward the reduction of hydraulic risk. Numerical modelling plays an important role to this purpose. Ruiz-Villanueva et al. (2014) use a two-dimensional numerical model to calculate the kinetics of cylindrical woody debris transport, taking into account also the hydrodynamic effects of wood. The model here presented couples a Discrete Element approach (DE) for the calculation of motion of a cylindrical log with the solution of the Shallow Water Equations (SW), in order to simulate woody debris transport in a two-dimensional stream. In a first step, drag force, added mass force and side force are calculated from flow and log velocities, assuming a reference area and hydrodynamic coefficients taken from literature. Then, the equations of dynamics are solved to model the planar roto-translation of the wooden cylinder. Model results and its physical reliability are clearly affected by the values of the drag and side coefficients, which in turn depend upon log submergence and angle towards the flow direction. Experimental studies to evaluate drag and side coefficients can be found for a submerged cylinder, with various orientations (Gippel et al. 1996; Hoang et al. 2015). To extend such results to the case of a floating (non-totally submerged) cylinder, the authors performed a series of laboratory tests whose outcomes are implemented in the proposed DE-SW model, to assess the effects of these values on the dynamic of woody

  8. Coupled Soil Water and Heat Transport Near the Land Surface in Arid and Semiarid Regions - Multi-Domain Modeling

    Science.gov (United States)

    Mohanty, Binayak; Yang, Zhenlei

    2016-04-01

    Understanding and simulating coupled water and heat transfer appropriately in the shallow subsurface is of vital significance for accurate prediction of soil evaporation that would improve the coupling between land surface and atmosphere, which consequently could enhance the reliability of weather as well as climate forecast. The theory of Philip and de Vries (1957), accounting for water vapor diffusion only, was considered physically incomplete and consequently extended and improved by several researchers by explicitly taking water vapor convection, dispersion or air flow into account. It is generally believed that the soil moisture is usually low in the near surface layer under highly transient field conditions, particularly in arid and semiarid regions, and that accurate characterization of water vapor transport is critical when modeling simultaneous water and heat transport in the shallow field soils. The first objective of this study is thus mainly to test existing coupled water and heat transport theories and to develop reasonable and simplified numerical models using field experimental data collected under semi-arid and arid hydro-climatic conditions. In addition, more complex multi-domain models are developed for ubiquitous heterogeneous terrestrial surfaces such as horizontal textural contrasts or structured heterogeneity including macropores (fractures, cracks, root channels, etc.). This would make coupled water and heat transfer models applicable in such non-homogeneous soils more meaningful and enhance the skill of land-atmosphere interaction models at a larger context.

  9. Numerical modeling of watershed-scale radiocesium transport coupled with biogeochemical cycling in forests

    Science.gov (United States)

    Mori, K.; Tada, K.; Tawara, Y.; Tosaka, H.; Ohno, K.; Asami, M.; Kosaka, K.

    2015-12-01

    Since the Fukushima Dai-ichi Nuclear Power Plant (FDNPP) accident, intensive monitoring and modeling works on radionuclide transfer in environment have been carried out. Although Cesium (Cs) concentration has been attenuating due to both physical and environmental half-life (i.e., wash-off by water and sediment), the attenuation rate depends clearly on the type of land use and land cover. In the Fukushima case, studying the migration in forest land use is important for predicting the long-term behavior of Cs because most of the contaminated region is covered by forests. Atmospheric fallout is characterized by complicated behavior in biogeochemical cycle in forests which can be described by biotic/abiotic interactions between many components. In developing conceptual and mathematical model on Cs transfer in forest ecosystem, defining the dominant components and their interactions are crucial issues (BIOMASS, 1997-2001). However, the modeling of fate and transport in geosphere after Cs exports from the forest ecosystem is often ignored. An integrated watershed modeling for simulating spatiotemporal redistribution of Cs that includes the entire region from source to mouth and surface to subsurface, has been recently developed. Since the deposited Cs can migrate due to water and sediment movement, the different species (i.e., dissolved and suspended) and their interactions are key issues in the modeling. However, the initial inventory as source-term was simplified to be homogeneous and time-independent, and biogeochemical cycle in forests was not explicitly considered. Consequently, it was difficult to evaluate the regionally-inherent characteristics which differ according to land uses, even if the model was well calibrated. In this study, we combine the different advantages in modeling of forest ecosystem and watershed. This enable to include more realistic Cs deposition and time series of inventory can be forced over the land surface. These processes are integrated

  10. Coupled Vortex-Lattice Flight Dynamic Model with Aeroelastic Finite-Element Model of Flexible Wing Transport Aircraft with Variable Camber Continuous Trailing Edge Flap for Drag Reduction

    Science.gov (United States)

    Nguyen, Nhan; Ting, Eric; Nguyen, Daniel; Dao, Tung; Trinh, Khanh

    2013-01-01

    This paper presents a coupled vortex-lattice flight dynamic model with an aeroelastic finite-element model to predict dynamic characteristics of a flexible wing transport aircraft. The aircraft model is based on NASA Generic Transport Model (GTM) with representative mass and stiffness properties to achieve a wing tip deflection about twice that of a conventional transport aircraft (10% versus 5%). This flexible wing transport aircraft is referred to as an Elastically Shaped Aircraft Concept (ESAC) which is equipped with a Variable Camber Continuous Trailing Edge Flap (VCCTEF) system for active wing shaping control for drag reduction. A vortex-lattice aerodynamic model of the ESAC is developed and is coupled with an aeroelastic finite-element model via an automated geometry modeler. This coupled model is used to compute static and dynamic aeroelastic solutions. The deflection information from the finite-element model and the vortex-lattice model is used to compute unsteady contributions to the aerodynamic force and moment coefficients. A coupled aeroelastic-longitudinal flight dynamic model is developed by coupling the finite-element model with the rigid-body flight dynamic model of the GTM.

  11. Coupling ANIMO and MT3DMS for 3D regional-scale modeling of nutrient transport in soil and groundwater

    Science.gov (United States)

    Janssen, G.; Del Val Alonso, L.; Groenendijk, P.; Griffioen, J.

    2012-12-01

    We developed an on-line coupling between the 1D/quasi-2D nutrient transport model ANIMO and the 3D groundwater transport model code MT3DMS. ANIMO is a detailed, process-oriented model code for the simulation of nitrate leaching to groundwater, N- and P-loads on surface waters and emissions of greenhouse gasses. It is the leading nutrient fate and transport code in the Netherlands where it is used primarily for the evaluation of fertilization related legislation. In addition, the code is applied frequently in international research projects. MT3DMS is probably the most commonly used groundwater solute transport package worldwide. The on-line model coupling ANIMO-MT3DMS combines the state-of-the-art descriptions of the biogeochemical cycles in ANIMO with the advantages of using a 3D approach for the transport through the saturated domain. These advantages include accounting for regional lateral transport, considering groundwater-surface water interactions more explicitly, and the possibility of using MODFLOW to obtain the flow fields. An additional merit of the on-line coupling concept is that it preserves feedbacks between the saturated and unsaturated zone. We tested ANIMO-MT3DMS by simulating nutrient transport for the period 1970-2007 in a Dutch agricultural polder catchment covering an area of 118 km2. The transient groundwater flow field had a temporal resolution of one day and was calculated with MODFLOW-MetaSWAP. The horizontal resolution of the model grid was 100x100m and consisted of 25 layers of varying thickness. To keep computation times manageable, we prepared MT3DMS for parallel computing, which in itself is a relevant development for a large community of groundwater transport modelers. For the parameterization of the soil, we applied a standard classification approach, representing the area by 60 units with unique combinations of soil type, land use and geohydrological setting. For the geochemical parameterization of the deeper subsurface, however, we

  12. Reactive Transport Modeling of Induced Calcite Precipitation Reaction Fronts in Porous Media Using A Parallel, Fully Coupled, Fully Implicit Approach

    Science.gov (United States)

    Guo, L.; Huang, H.; Gaston, D.; Redden, G. D.; Fox, D. T.; Fujita, Y.

    2010-12-01

    Inducing mineral precipitation in the subsurface is one potential strategy for immobilizing trace metal and radionuclide contaminants. Generating mineral precipitates in situ can be achieved by manipulating chemical conditions, typically through injection or in situ generation of reactants. How these reactants transport, mix and react within the medium controls the spatial distribution and composition of the resulting mineral phases. Multiple processes, including fluid flow, dispersive/diffusive transport of reactants, biogeochemical reactions and changes in porosity-permeability, are tightly coupled over a number of scales. Numerical modeling can be used to investigate the nonlinear coupling effects of these processes which are quite challenging to explore experimentally. Many subsurface reactive transport simulators employ a de-coupled or operator-splitting approach where transport equations and batch chemistry reactions are solved sequentially. However, such an approach has limited applicability for biogeochemical systems with fast kinetics and strong coupling between chemical reactions and medium properties. A massively parallel, fully coupled, fully implicit Reactive Transport simulator (referred to as “RAT”) based on a parallel multi-physics object-oriented simulation framework (MOOSE) has been developed at the Idaho National Laboratory. Within this simulator, systems of transport and reaction equations can be solved simultaneously in a fully coupled, fully implicit manner using the Jacobian Free Newton-Krylov (JFNK) method with additional advanced computing capabilities such as (1) physics-based preconditioning for solution convergence acceleration, (2) massively parallel computing and scalability, and (3) adaptive mesh refinements for 2D and 3D structured and unstructured mesh. The simulator was first tested against analytical solutions, then applied to simulating induced calcium carbonate mineral precipitation in 1D columns and 2D flow cells as analogs

  13. Storm time plasma transport in a unified and inter-coupled global magnetosphere model

    Science.gov (United States)

    Ilie, R.; Liemohn, M. W.; Toth, G.

    2014-12-01

    We present results from the two-way self-consistent coupling between the kinetic Hot Electron and Ion Drift Integrator (HEIDI) model and the Space Weather Modeling Framework (SWMF). HEIDI solves the time dependent, gyration and bounced averaged kinetic equation for the phase space density of different ring current species and computes full pitch angle distributions for all local times and radial distances. During geomagnetic times the dipole approximation becomes unsuitable even in the inner magnetosphere. Therefore the HEIDI model was generalized to accommodate an arbitrary magnetic field and through the coupling with SWMF it obtains a magnetic field description throughout the HEIDI domain along with a plasma distribution at the model outer boundary from the Block Adaptive Tree Solar Wind Roe Upwind Scheme (BATS-R-US) magnetohydrodynamics (MHD) model within SWMF. Electric field self-consistency is assured by the passing of convection potentials from the Ridley Ionosphere Model (RIM) within SWMF. In this study we test the various levels of coupling between the 3 physics based models, highlighting the role that the magnetic field, plasma sheet conditions and the cross polar cap potential play in the formation and evolution of the ring current. We show that the dynamically changing geospace environment itself plays a key role in determining the geoeffectiveness of the driver. The results of the self-consistent coupling between HEIDI, BATS-R-US and RIM during disturbed conditions emphasize the importance of a kinetic self-consistent approach to the description of geospace.

  14. Coupled Reactive Transport Modeling of CO2 Injection in Mt. Simon Sandstone Formation, Midwest USA

    Science.gov (United States)

    Liu, F.; Lu, P.; Zhu, C.; Xiao, Y.

    2009-12-01

    CO2 sequestration in deep geological formations is one of the promising options for CO2 emission reduction. While several large scale CO2 injections in saline aquifers have shown to be successful for the short-term, there is still a lack of fundamental understanding on key issues such as CO2 storage capacity, injectivity, and security over multiple spatial and temporal scales that need to be addressed. To advance these understandings, we applied multi-phase coupled reactive mass transport modeling to investigate the fate of injected CO2 and reservoir responses to the injection into Mt. Simon Formation. We developed both 1-D and 2-D reactive transport models in a radial region of 10,000 m surrounding a CO2 injection well to represent the Mt. Simon sandstone formation, which is a major regional deep saline reservoir in the Midwest, USA. Supercritical CO2 is injected into the formation for 100 years, and the modeling continues till 10,000 years to monitor both short-term and long-term behavior of injected CO2 and the associated rock-fluid interactions. CO2 co-injection with H2S and SO2 is also simulated to represent the flue gases from coal gasification and combustion in the Illinois Basin. The injection of CO2 results in acidified zones (pH ~3 and 5) adjacent to the wellbore, causing progressive water-rock interactions in the surrounding region. In accordance with the extensive dissolution of authigenic K-feldspar, sequential precipitations of secondary carbonates and clay minerals are predicted in this zone. The vertical profiles of CO2 show fingering pattern from the top of the reservoir to the bottom due to the density variation of CO2-impregnated brine, which facilitate convection induced mixing and solubility trapping. Most of the injected CO2 remains within a radial distance of 2500 m at the end of 10,000 years and is sequestered and immobilized by solubility and residual trapping. Mineral trapping via secondary carbonates, including calcite, magnesite

  15. Heat transport in coupled inhomogeneous chains

    Institute of Scientific and Technical Information of China (English)

    Hu Tao; Bai Meng; Hu Ke; Tang Yi

    2011-01-01

    We first investigate the heat transport in a network model consisting of two coupled dimerized chains. Results indicate that the thermal resistance of each chain increases with the decrease of the mass ratio γ of the two types of atoms. Then, we find, when a light impurity or a heavy one is added in the two coupled homogeneous chains and coupled with a particle of another chain, the interface thermal resistances Rlint andRγint present different dependences on the mass ratio γ'. Finally, a persistent circulation of energy current is observed in coupled inhomogeneous chains with two pairs of interchain coupling.

  16. Abiotic/biotic coupling in the rhizosphere: a reactive transport modeling analysis

    Science.gov (United States)

    Lawrence, Corey R.; Steefel, Carl; Maher, Kate

    2014-01-01

    A new generation of models is needed to adequately simulate patterns of soil biogeochemical cycling in response changing global environmental drivers. For example, predicting the influence of climate change on soil organic matter storage and stability requires models capable of addressing complex biotic/abiotic interactions of rhizosphere and weathering processes. Reactive transport modeling provides a powerful framework simulating these interactions and the resulting influence on soil physical and chemical characteristics. Incorporation of organic reactions in an existing reactive transport model framework has yielded novel insights into soil weathering and development but much more work is required to adequately capture root and microbial dynamics in the rhizosphere. This endeavor provides many advantages over traditional soil biogeochemical models but also many challenges.

  17. HYDROBIOGEOCHEM: A coupled model of HYDROlogic transport and mixed BIOGEOCHEMical kinetic/equilibrium reactions in saturated-unsaturated media

    Energy Technology Data Exchange (ETDEWEB)

    Yeh, G.T.; Salvage, K.M. [Pennsylvania State Univ., University Park, PA (United States). Dept. of Civil and Environmental Engineering; Gwo, J.P. [Oak Ridge National Lab., TN (United States); Zachara, J.M.; Szecsody, J.E. [Pacific Northwest National Lab., Richland, WA (United States)

    1998-07-01

    The computer program HYDROBIOGEOCHEM is a coupled model of HYDROlogic transport and BIOGEOCHEMical kinetic and/or equilibrium reactions in saturated/unsaturated media. HYDROBIOGEOCHEM iteratively solves the two-dimensional transport equations and the ordinary differential and algebraic equations of mixed biogeochemical reactions. The transport equations are solved for all aqueous chemical components and kinetically controlled aqueous species. HYDROBIOGEOCHEM is designed for generic application to reactive transport problems affected by both microbiological and geochemical reactions in subsurface media. Input to the program includes the geometry of the system, the spatial distribution of finite elements and nodes, the properties of the media, the potential chemical and microbial reactions, and the initial and boundary conditions. Output includes the spatial distribution of chemical and microbial concentrations as a function of time and space, and the chemical speciation at user-specified nodes.

  18. Transport properties of melanosomes along microtubules interpreted by a tug-of-war model with loose mechanical coupling.

    Directory of Open Access Journals (Sweden)

    Sebastián Bouzat

    Full Text Available In this work, we explored theoretically the transport of organelles driven along microtubules by molecular motors of opposed polarities using a stochastic model that considers a Langevin dynamics for the cargo, independent cargo-motor linkers and stepping motion for the motors. It has been recently proposed that the stiffness of the motor plays an important role when multiple motors collectively transport a cargo. Therefore, we considered in our model the recently reported values for the stiffness of the cargo-motor linker determined in living cells (∼0.01 pN/nm, which is significantly lower than the motor stiffness obtained in in vitro assays and used in previous studies. Our model could reproduce the multimodal velocity distributions and typical trajectory characteristics including the properties of the reversions in the overall direction of motion observed during melanosome transport along microtubules in Xenopus laevis melanophores. Moreover, we explored the contribution of the different motility states of the cargo-motor system to the different modes of the velocity distributions and could identify the microscopic mechanisms of transport leading to trajectories compatible with those observed in living cells. Finally, by changing the attachment and detachment rates, the model could reproduce the different velocity distributions observed during melanosome transport along microtubules in Xenopus laevis melanophores stimulated for aggregation and dispersion. Our analysis suggests that active tug-of-war processes with loose mechanical coupling can account for several aspects of cargo transport along microtubules in living cells.

  19. Coupling between solute transport and chemical reactions models. Acoplamiento de modelos de transporte de solutos y de modelos de reacciones quimicas

    Energy Technology Data Exchange (ETDEWEB)

    Samper, J.; Ajora, C. (Instituto de Ciencias de la Tierra, CSIC, Barcerlona (Spain))

    1993-01-01

    During subsurface transport, reactive solutes are subject to a variety of hydrodynamic and chemical processes. The major hydrodynamic processes include advection and convection, dispersion and diffusion. The key chemical processes are complexation including hydrolysis and acid-base reactions, dissolution-precipitation, reduction-oxidation, adsorption and ion exchange. The combined effects of all these processes on solute transport must satisfy the principle of conservation of mass. The statement of conservation of mass for N mobile species leads to N partial differential equations. Traditional solute transport models often incorporate the effects of hydrodynamic processes rigorously but oversimplify chemical interactions among aqueous species. Sophisticated chemical equilibrium models, on the other hand, incorporate a variety of chemical processes but generally assume no-flow systems. In the past decade, coupled models accounting for complex hydrological and chemical processes, with varying degrees of sophistication, have been developed. The existing models of reactive transport employ two basic sets of equations. The transport of solutes is described by a set of partial differential equations, and the chemical processes, under the assumption of equilibrium, are described by a set of nonlinear algebraic equations. An important consideration in any approach is the choice of primary dependent variables. Most existing models cannot account for the complete set of chemical processes, cannot be easily extended to include mixed chemical equilibria and kinetics, and cannot handle practical two and three dimensional problems. The difficulties arise mainly from improper selection of the primary variables in the transport equations. (Author) 38 refs.

  20. GW approach to electron-electron interactions within the Anderson impurity model: Kondo correlated quantum transport through two coupled molecules

    Science.gov (United States)

    Aksu, H.; Goker, A.

    2017-03-01

    We invoke the nonequilibrium self-consistent GW method within the Anderson impurity model to investigate the dynamical effects occurring in a nanojunction comprised of two coupled molecules. Contrary to the previous single impurity model calculations based on the GW approximation, we observe that the density of states manages to capture both the Kondo resonance and the Breit-Wigner resonances associated with the HOMO and LUMO levels of the molecule. Moreover, the prominence of the Kondo resonance grows dramatically upon switching from the intermediate to the weak coupling regime involving large U / Γ values. The conductance is calculated as a function of the HOMO level and the applied bias across the molecular nanojunction. Calculated conductance curves deviate from the monotonic decay behaviour as a function of the bias when the half-filling condition is not met. The importance of the effect of the molecule-molecule coupling for the electron transport phenomena is also investigated.

  1. Three-dimensional Solute Transport Modeling in Coupled Soil and Plant Root Systems

    OpenAIRE

    2014-01-01

    Many environmental and agricultural challenges rely on the proper understanding of water flow and solute transport in soils, for example the carbon cycle, crop growth, irrigation scheduling or fate of pollutants in subsoil. Current modeling approaches typically simulate plant uptake via empirical approaches, which neglect the three-dimensional (3D) root architecture. Yet, nowadays 3D soil-root water and solute models on plant-scale exist, which can be used for assessing the impact of root arc...

  2. From 3D gravity to coupled fluid and heat transport modelling - a case study from the Upper Rhine Graben

    Science.gov (United States)

    Freymark, Jessica; Sippel, Judith; Scheck-Wenderoth, Magdalena; Bär, Kristian; Stiller, Manfred; Fritsche, Johann-Gerhard; Kracht, Matthias

    2017-04-01

    Numerical models that predict and help to understand subsurface hydrothermal conditions are key to reduce the risk of drilling non-productive geothermal wells. Such simulations of coupled fluid and heat transport need a reliable 3D structural model. Therefore, we use an integrated approach of data-based 3D structural, gravity, conductive thermal and thermo-hydraulic coupled modelling. The Upper Rhine Graben (URG) is known for its large potential for deep geothermal energy that is already used in e.g. Soultz-sous-Forêts. In the frame of the EU-funded project "IMAGE" (Integrated Methods for Advanced Geothermal Exploration, grant agreement no. 608553), we assess the dominant processes and effective physical properties that control the deep thermal field of the URG. Therefore, we have built a lithospheric-scale 3D structural model of the URG by integrating existing data-based 3D models, deep seismic reflection and refraction profiles, as well as receiver function data. 3D gravity modelling was used to assess the internal configuration of the upper crystalline crust in addition to deep seismic lines. The resulting gravity-constrained 3D structural model was then used as base to calculate the 3D conductive thermal field. An analysis of deviations between measured and calculated temperatures revealed that heat transport connected to fluid circulation is probably relevant at depths above 2500 m. To test this hypotheses smaller-scale and higher resolution models for coupled fluid and heat transport were simulated. We present the results from this combined workflow considering 3D gravity and 3D thermal modelling.

  3. Two-dimensional coupled mathematical modeling of fluvial processes with intense sediment transport and rapid bed evolution

    Institute of Scientific and Technical Information of China (English)

    YUE ZhiYuan; CAO ZhiXian; LI Xin; CHE Tao

    2008-01-01

    Alluvial rivers may experience intense sediment transport and rapid bed evolution under a high flow regime, for which traditional decoupled mathematical river mod-els based on simplified conservation equations are not applicable. A two-dimen-sional coupled mathematical model is presented, which is generally applicable to the fluvial processes with either intense or weak sediment transport. The governing equations of the model comprise the complete shallow water hydrodynamic equa-tions closed with Manning roughness for boundary resistance and empirical rela-tionships for sediment exchange with the erodible bed. The second-order Total-Variation-Diminishing version of the Weighted-Average-Flux method, along with the HLLC approximate Riemann Solver, is adapted to solve the governing equations, which can properly resolve shock waves and contact discontinuities. The model is applied to the pilot study of the flooding due to a sudden outburst of a real glacial-lake.

  4. Two-dimensional coupled mathematical modeling of fluvial processes with intense sediment transport and rapid bed evolution

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Alluvial rivers may experience intense sediment transport and rapid bed evolution under a high flow regime,for which traditional decoupled mathematical river mod-els based on simplified conservation equations are not applicable. A two-dimen-sional coupled mathematical model is presented,which is generally applicable to the fluvial processes with either intense or weak sediment transport. The governing equations of the model comprise the complete shallow water hydrodynamic equa-tions closed with Manning roughness for boundary resistance and empirical rela-tionships for sediment exchange with the erodible bed. The second-order Total-Variation-Diminishing version of the Weighted-Average-Flux method,along with the HLLC approximate Riemann Solver,is adapted to solve the governing equations,which can properly resolve shock waves and contact discontinuities. The model is applied to the pilot study of the flooding due to a sudden outburst of a real glacial-lake.

  5. Simulating Water and Nutrient Transport in an Urbanizing Agricultural Watershed with Lake-Level Regulation Using a Coupled Modeling Approach

    Science.gov (United States)

    Chen, X.; Motew, M.; Booth, E.; Carpenter, S. R.; Steven, L. I.; Kucharik, C. J.

    2015-12-01

    The Yahara River basin located in southern Wisconsin is a watershed with long-term eutrophication issues due largely to a thriving dairy industry upstream of the Madison chain of lakes. Steady phosphorus loading from manure production and other sources has contributed directly to blue-green algae blooms and poor water quality in the lakes and river system, and is often viewed as the most important environmental problem to solve in the region. In this study, the daily streamflow and monthly nitrogen (N), sediment and phosphorus (P) transport, as well as the lake levels in the Yahara River basin are simulated using a physically-based hydrologic routing model: the Terrestrial Hydrology Model with Biogeochemistry (THMB). The original model includes representation of water and nitrogen transport but as part of this work, P transport and lake regulation are added into the model. The modified THMB model is coupled with the AgroIBIS-VSF agroecosystem model to represent dynamic coupling between agricultural management in the watershed, and N, P, and sediment transport to lakes and streams. We will present model calibration and validation results that demonstrate the hydrologic routing capability of THMB for a spatial resolution of 220m, several orders of magnitude finer than attempted previously with THMB. The calibrated modeling system is being used to simulate the impacts of climate change and land management on biogeochemistry in the Yahara watershed under four different pathways of change to the year 2070 (Yahara 2070). These scenarios are Abandonment and Renewal, Accelerated Innovation, Connected Communities and Nested Watersheds, which are used to better understand how future decision-making influences the provisioning and trade-offs of ecosystem services.

  6. Linking the Power and Transport Sectors—Part 2: Modelling a Sector Coupling Scenario for Germany

    Directory of Open Access Journals (Sweden)

    Martin Robinius

    2017-07-01

    Full Text Available “Linking the power and transport sectors—Part 1” describes the general principle of “sector coupling” (SC, develops a working definition intended of the concept to be of utility to the international scientific community, contains a literature review that provides an overview of relevant scientific papers on this topic and conducts a rudimentary analysis of the linking of the power and transport sectors on a worldwide, EU and German level. The aim of this follow-on paper is to outline an approach to the modelling of SC. Therefore, a study of Germany as a case study was conducted. This study assumes a high share of renewable energy sources (RES contributing to the grid and significant proportion of fuel cell vehicles (FCVs in the year 2050, along with a dedicated hydrogen pipeline grid to meet hydrogen demand. To construct a model of this nature, the model environment “METIS” (models for energy transformation and integration systems we developed will be described in more detail in this paper. Within this framework, a detailed model of the power and transport sector in Germany will be presented in this paper and the rationale behind its assumptions described. Furthermore, an intensive result analysis for the power surplus, utilization of electrolysis, hydrogen pipeline and economic considerations has been conducted to show the potential outcomes of modelling SC. It is hoped that this will serve as a basis for researchers to apply this framework in future to models and analysis with an international focus.

  7. A new coupled-map car-following model based on a transportation supernetwork framework

    Science.gov (United States)

    Yao, Jing; Huang, Jing-Yi; Chen, Guan-Rong; Xu, Wei-Sheng

    2013-06-01

    A new car-following model is proposed by considering information from a number of preceding vehicles with inter-vehicle communication. A supernetwork architecture is first described, which has two layers: a traffic network and a communication network. The two networks interact with and depend on each other. The error dynamic system around the steady state of the model is theoretically analyzed and some nonjam criteria are derived. A simple control signal is added to the model to analyze the criteria of suppressing traffic jams. The corresponding numerical simulations confirm the correctness of the theoretical analysis. Compared with previous studies concerning coupled map models, the controlled model proposed in this paper is more reasonable and also more effective in the sense that it takes into account the formation of traffic congestion.

  8. Coupled transport, mixing and biogeochemical reactions in fractured media: experimental observations and modelling at the Ploemeur fractured rock observatory

    Science.gov (United States)

    Le Borgne, T.; Bochet, O.; Klepikova, M.; Kang, P. K.; Shakas, A.; Aquilina, L.; Dufresne, A.; Linde, N.; Dentz, M.; Bour, O.

    2016-12-01

    Transport processes in fractured media and associated reactions are governed by multiscale heterogeneity ranging from fracture wall roughness at small scale to broadly distributed fracture lengths at network scale. This strong disorder induces a variety of emerging phenomena, including flow channeling, anomalous transport and heat transfer, enhanced mixing and reactive hotspot development. These processes are generally difficult to isolate and monitor in the field because of the high degree of complexity and coupling between them. We report in situ experimental observations from the Ploemeur fractured rock observatory (http://hplus.ore.fr/en/ploemeur) that provide new insights on the dynamics of transport and reaction processes in fractured media. These include dipole and push pull tracer tests that allow understanding and modelling anomalous transport processes characterized by heavy-tailed residence time distributions (Kang et al. 2015), thermal push pull tests that show the existence of highly channeled flow with a strong control on fracture matrix exchanges (Klepikova et al. 2016) and time lapse hydrogeophysical monitoring of saline tracer tests that allow quantifying the distribution of transport length scales governing dispersion processes (Shakas et al. 2016). These transport processes are then shown to induce rapid oxygen delivery and mixing at depth leading to massive biofilm development (Bochet et al., in prep.). Hence, this presentation will attempt to link these observations made at different scales to quantify and model the coupling between flow channeling, non-Fickian transport, mixing and chemical reactions in fractured media. References: Bochet et al. Biofilm blooms driven by enhanced mixing in fractured rock, in prep. Klepikova et al. 2016, Heat as a tracer for understanding transport processes in fractured media: theory and field assessment from multi-scale thermal push-pull tracer tests, Water Resour. Res. 52Shakas et al. 2016, Hydrogeophysical

  9. ECHMERIT V1.0 – a new global fully coupled mercury-chemistry and transport model

    Directory of Open Access Journals (Sweden)

    N. Pirrone

    2009-05-01

    Full Text Available Mercury is a global pollutant due to its long lifetime in the atmosphere. Its hemispheric transport patterns and eventual deposition are therefore of major concern. For the purpose of global atmospheric mercury chemistry and transport modelling the ECHMERIT model was developed. ECHMERIT, based on the global circulation model ECHAM5 differs from most global mercury models in that the emissions, chemistry (including general tropospheric chemistry and mercury chemistry, transport and deposition are coupled on-line to the GCM. The chemistry mechanism includes an online calculation of photolysis rate constants using the Fast-J photolysis mechanism, the CBM-Z tropospheric gas-phase mechanism and aqueous-phase chemistry based on the MECCA mechanism. Additionally, a mercury chemistry mechanism that incorporates gas and aqueous phase mercury chemistry is included. A detailed description of the model, including the wet and dry deposition modules, and the implemented emissions is given in this technical report. First model testing and evaluation show a satisfactory model performance for surface ozone and mercury concentrations (with a mean bias of 1.46 ppb for ozone and a mean bias of 13.55 ppq for TGM when compared with EMEP station data. Requirements regarding measurement data and emission inventories which could considerably improve model skill are discussed.

  10. ECHMERIT V1.0 – a new global fully coupled mercury-chemistry and transport model

    Directory of Open Access Journals (Sweden)

    G. Jung

    2009-11-01

    Full Text Available Mercury is a global pollutant due to its long lifetime in the atmosphere. Its hemispheric transport patterns and eventual deposition are therefore of major concern. For the purpose of global atmospheric mercury chemistry and transport modelling the ECHMERIT model was developed. ECHMERIT, based on the global circulation model ECHAM5 differs from most global mercury models in that the emissions, chemistry (including general tropospheric chemistry and mercury chemistry, transport and deposition are coupled on-line to the GCM. The chemistry mechanism includes an online calculation of photolysis rate constants using the Fast-J photolysis mechanism, the CBM-Z tropospheric gas-phase mechanism and aqueous-phase chemistry based on the MECCA mechanism. Additionally, a mercury chemistry mechanism that incorporates gas and aqueous phase mercury chemistry is included. A detailed description of the model, including the wet and dry deposition modules, and the implemented emissions is given in this technical report. First model testing and evaluation show a satisfactory model performance for surface ozone and mercury mixing ratios (with a mean bias of 1.46 nmol/mol for ozone and a mean bias of 13.55 fmol/mol for TGM when compared with EMEP station data. Requirements regarding measurement data and emission inventories which could considerably improve model skill are discussed.

  11. A geochemical transport model for thermo-hydro-chemical (THC) coupled processes with saline water

    Science.gov (United States)

    Xie, Mingliang; Kolditz, Olaf; Moog, Helge C.

    2011-02-01

    Anhydrous MgSO4 is considered as a potential sealing material for the isolation of high-level-waste repositories in salt rock. When an aqueous solution, usually a brine type, penetrates the sealing, different MgSO4 hydrates along with other mineral phases form, removing free water from the solution. The uptake of water leads to an overall increase of solid phase volume. If deformation is constrained, the pore volume decreases and permeability is reduced. In order to simulate such processes, especially for conditions without free water, a coupling between OpenGeoSys and thermodynamic equilibrium calculations were implemented on the basis of the commercially available thermodynamic simulator ChemApp and the object-oriented programming finite-element method simulator OpenGeoSys. ChemApp uses the Gibbs energy minimization approach for the geochemical reaction simulation. Based on this method, the thermodynamic equilibrium of geochemical reactions can be calculated by giving the amount of each system component and the molar Gibbs energy of formation for all the possible phases and phase constituents. Activity coefficients in high-saline solutions were calculated using the Pitzer formalism. This model has the potential to handle 1-D, 2-D, and 3-D saturated and nonsaturated thermo-hydro-chemical coupled processes even with highly saline solutions under complex conditions. The model was verified by numerical comparison with other simulators and applied for the modeling of SVV experimental data.

  12. Coupling Flow & Transport Modeling with Electromagnetic Geophysics to Better Understand Crustal Permeability

    Science.gov (United States)

    Pepin, J.; Folsom, M.; Person, M. A.; Kelley, S.; Gomez-Velez, J. D.; Peacock, J.

    2016-12-01

    Over the last 30 years, considerable effort has focused on understanding the distribution of permeability within the earth's crust and its implications for flow and transport. The scarcity of direct observations makes the description of permeabilities beyond depths of about 3 km particularly challenging. Numerous studies have defined depth-decay relationships for basement permeability, while others note that it is too complex to be characterized by a general relationship. Hydrothermal modeling studies focusing on two geothermal systems within the tectonically active Rio Grande rift of New Mexico suggest that there may be laterally extensive regions of highly permeable (10-14 to 10-12 m2) basement rocks at depths ranging between 4 and 8 km. The NaCl groundwater signature, elevated fracture density, and secondary mineralization of fractured basement outcrops associated with these geothermal systems indicate that there may indeed be significant groundwater flow within the basement rocks of the rift. We hypothesize that there are extensive regions of highly permeable crystalline basement rocks at depths greater than 3 km within the Rio Grande rift. These fractured zones serve as large conduits for geothermal fluids before they ascend to shallow depths through gaps in overlying confining sediments or along faults. To test these hypotheses, we use a combination of geophysical observations and flow and transport modeling. We used electromagnetic geophysics (TEM & MT) to image resistivity in one of the hypothesized deep circulation geothermal systems near Truth or Consequences, NM. The resistivity dataset, in tandem with geochemical and thermal observations, is then used to calibrate a hydrothermal model of the system. This new calibration methodology has the potential to change the way researchers study crustal fluid flow and geothermal systems; thereby providing a tool to explore depths greater than 3 km where minimal data is available. In addition, it has the advantage

  13. Coupled flow and salinity transport modelling in semi-arid environments

    DEFF Research Database (Denmark)

    Bauer-Gottwein, Peter; Held, R.J.; Zimmermann, S.

    2006-01-01

    Numerical groundwater modelling is used as the base for sound aquifer system analysis and water resources assessment. In many cases, particularly in semi-arid and arid regions, groundwater flow is intricately linked to salinity transport. A case in point is the Shashe River Valley in Botswana....... A freshwater aquifer located around an ephemeral stream is depleted by the combined effect of transpiration and pumping. Quantitative system analysis reveals that the amount of water taken by transpiration is far more than the quantities pumped for water supply. Furthermore, the salinity distribution...... in and around Shashe River Valley as well as its temporal dynamics can be satisfactorily reproduced if the transpiration is modelled as a function of groundwater salinity. The location and dynamics of the saltwater–freshwater interface are highly sensitive to the parameterization of evaporative...

  14. Development of Modeling Methods and Tools for Predicting Coupled Reactive Transport Processes in Porous Media at Multiple Scales

    Energy Technology Data Exchange (ETDEWEB)

    Clement, T Prabhakar; Barnett, Mark O; Zheng, Chunmiao; Jones, Norman L

    2010-05-05

    DE-FG02-06ER64213: Development of Modeling Methods and Tools for Predicting Coupled Reactive Transport Processes in Porous Media at Multiple Scales Investigators: T. Prabhakar Clement (PD/PI) and Mark O. Barnett (Auburn), Chunmiao Zheng (Univ. of Alabama), and Norman L. Jones (BYU). The objective of this project was to develop scalable modeling approaches for predicting the reactive transport of metal contaminants. We studied two contaminants, a radioactive cation [U(VI)] and a metal(loid) oxyanion system [As(III/V)], and investigated their interactions with two types of subsurface materials, iron and manganese oxyhydroxides. We also developed modeling methods for describing the experimental results. Overall, the project supported 25 researchers at three universities. Produced 15 journal articles, 3 book chapters, 6 PhD dissertations and 6 MS theses. Three key journal articles are: 1) Jeppu et al., A scalable surface complexation modeling framework for predicting arsenate adsorption on goethite-coated sands, Environ. Eng. Sci., 27(2): 147-158, 2010. 2) Loganathan et al., Scaling of adsorption reactions: U(VI) experiments and modeling, Applied Geochemistry, 24 (11), 2051-2060, 2009. 3) Phillippi, et al., Theoretical solid/solution ratio effects on adsorption and transport: uranium (VI) and carbonate, Soil Sci. Soci. of America, 71:329-335, 2007

  15. Storm and fair-weather driven sediment-transport within Poverty Bay, New Zealand, evaluated using coupled numerical models

    Science.gov (United States)

    Bever, Aaron J.; Harris, Courtney K.

    2014-09-01

    The Waipaoa River Sedimentary System in New Zealand, a focus site of the MARGINS Source-to-Sink program, contains both a terrestrial and marine component. Poverty Bay serves as the interface between the fluvial and oceanic portions of this dispersal system. This study used a three-dimensional hydrodynamic and sediment-transport numerical model, the Regional Ocean Modeling System (ROMS), coupled to the Simulated WAves Nearshore (SWAN) wave model to investigate sediment-transport dynamics within Poverty Bay and the mechanisms by which sediment travels from the Waipaoa River to the continental shelf. Two sets of model calculations were analyzed; the first represented a winter storm season, January-September, 2006; and the second an approximately 40 year recurrence interval storm that occurred on 21-23 October 2005. Model results indicated that hydrodynamics and sediment-transport pathways within Poverty Bay differed during wet storms that included river runoff and locally generated waves, compared to dry storms driven by oceanic swell. During wet storms the model estimated significant deposition within Poverty Bay, although much of the discharged sediment was exported from the Bay during the discharge pulse. Later resuspension events generated by Southern Ocean swell reworked and modified the initial deposit, providing subsequent pulses of sediment from the Bay to the continental shelf. In this manner, transit through Poverty Bay modified the input fluvial signal, so that the sediment characteristics and timing of export to the continental shelf differed from the Waipaoa River discharge. Sensitivity studies showed that feedback mechanisms between sediment-transport, currents, and waves were important within the model calculations.

  16. Coupled modeling of water transport and air-droplet interaction in the electrode of a proton exchange membrane fuel cell

    Science.gov (United States)

    Esposito, Angelo; Pianese, Cesare; Guezennec, Yann G.

    In this work, an accurate and computationally fast model for liquid water transport within a proton exchange membrane fuel cell (PEMFC) electrode is developed by lumping the space-dependence of the relevant variables. Capillarity is considered as the main transport mechanism within the gas diffusion layer (GDL). The novelty of the model lies in the coupled simulation of the water transport at the interface between gas diffusion layer and gas flow channel (GFC). This is achieved with a phenomenological description of the process that allows its simulation with relative simplicity. Moreover, a detailed two-dimensional visualization of such interface is achieved via geometric simulation of water droplets formation, growth, coalescence and detachment on the surface of the GDL. The model is useful for optimization analysis oriented to both PEMFC design and balance of plant. Furthermore, the accomplishment of reduced computational time and good accuracy makes the model suitable for control strategy implementation to ensure PEM fuel cells operation within optimal electrode water content.

  17. On the modeling of bubble evolution and transport using coupled level-set/CFD method

    Energy Technology Data Exchange (ETDEWEB)

    Bartlomiej Wierzbicki; Steven P Antal; Michael Z Podowski [Dept. of Mechanical, Aerospace and Nuclear Engineering, and Center for Multiphase Research, Rensselaer Polytechnic Institute, Troy, NY 12180 (United States)

    2005-07-01

    Full text of publication follows: The ability to predict the shape of the gas/liquid/solid interfaces is important for various multiphase flow and heat transfer applications. Specific issues of interest to nuclear reactor thermal-hydraulics, include the evolution of the shape of bubbles attached to solid surfaces during nucleation, bubble surface interactions in complex geometries, etc. Additional problems, making the overall task even more complicated, are associated with the effect of material properties that may be significantly altered by the addition of minute amounts of impurities, such as surfactants or nano-particles. The present paper is concerned with the development of an innovative approach to model time-dependent shape of gas/liquid interfaces in the presence of solid walls. The proposed approach combines a modified level-set method with an advanced CFD code, NPHASE. The coupled numerical solver can be used to simulate the evolution of gas/liquid interfaces in two-phase flows for a variety of geometries and flow conditions, from individual bubbles to free surfaces (stratified flows). The issues discussed in the full paper will include: a description of the novel aspects of the proposed level-set concept based method, an overview of the NPHASE code modeling framework and a description of the coupling method between these two elements of the overall model. A particular attention will be give to the consistency and completeness of model formulation for the interfacial phenomena near the liquid/gas/solid triple line, and to the impact of the proposed numerical approach on the accuracy and consistency of predictions. The accuracy will be measured in terms of both the calculated shape of the interfaces and the gas and liquid velocity fields around the interfaces and in the entire computational domain. The results of model testing and validation will also be shown in the full paper. The situations analyzed will include: bubbles of different sizes and varying

  18. The importance of coupled modelling of variably saturated groundwater flow-heat transport for assessing river-aquifer interactions

    Science.gov (United States)

    Engeler, I.; Hendricks Franssen, H. J.; Müller, R.; Stauffer, F.

    2011-02-01

    SummaryThis paper focuses on the role of heat transport in river-aquifer interactions for the study area Hardhof located in the Limmat valley within the city of Zurich (Switzerland). On site there are drinking water production facilities of Zurich water supply, which pump groundwater and infiltrate bank filtration water from river Limmat. The artificial recharge by basins and by wells creates a hydraulic barrier against the potentially contaminated groundwater flow from the city. A three-dimensional finite element model of the coupled variably saturated groundwater flow and heat transport was developed. The hydraulic conductivity of the aquifer and the leakage coefficient of the riverbed were calibrated for isothermal conditions by inverse modelling, using the pilot point method. River-aquifer interaction was modelled using a leakage concept. Coupling was considered by temperature-dependent values for hydraulic conductivity and for leakage coefficients. The quality of the coupled model was tested with the help of head and temperature measurements. Good correspondence between simulated and measured temperatures was found for the three pumping wells and seven piezometers. However, deviations were observed for one pumping well and two piezometers, which are situated in an area, where zones with important hydrogeological heterogeneity are expected. A comparison of simulation results with isothermal leakage coefficients with those of temperature-dependent leakage coefficients shows that the temperature dependence is able to reduce the head residuals close to the river by up to 30%. The largest improvements are found in the zone, where the river stage is considerably higher than the groundwater level, which is in correspondence with the expectations. Additional analyses also showed that the linear leakage concept cannot reproduce the seepage flux in a downstream section during flood events. It was found that infiltration is enhanced during flood events, which is

  19. Towards a Fully Distributed Characterization of Water Residence and Transit Time by Coupled Hydrology-Transport Modeling

    Science.gov (United States)

    Remondi, F.; Fatichi, S.; Burlando, P.

    2015-12-01

    Water residence and transit time are crucial elements in flow pathways and catchment response characterization. The temporal distribution of catchment transit times has been generally studied and modelled with lumped parameter approaches. However, understanding the dominant controls in a more holistic manner requires attention to the spatially distributed catchment properties also in relation to their control on the basin response to different type of precipitation events. A tool that looks both at the time and space distribution of water residence and transport can be useful for predicting water and solute fluxes and ultimately for better understanding the dependence of catchment transit and residence times on geomorphological and climatic factors. To this purpose we couple a fully distributed, yet essential, process-based watershed model with a component to simulate solute transport. Key features of the developed tool include: (a) reduced complexity spatially-distributed hydrological model; (b) spatially-distributed water age and conservative tracer concentration; (c) possibility to explicitly compute transit time distributions for different precipitation events and locations. The presented framework is tested on the Plynlimon watershed (UK), where long-term records of hydrological variables are available. Among them, discharge and chloride concentration are used to investigate the model behavior. We present the integrated model concept, the underlying methodologies, the results from the case study application, as well as preliminary virtual experiments that allow exploring the full statistical space of travel and residence times.

  20. Transport modeling

    Institute of Scientific and Technical Information of China (English)

    R.E. Waltz

    2007-01-01

    @@ There has been remarkable progress during the past decade in understanding and modeling turbulent transport in tokamaks. With some exceptions the progress is derived from the huge increases in computational power and the ability to simulate tokamak turbulence with ever more fundamental and physically realistic dynamical equations, e.g.

  1. GeoClaw-STRICHE: A coupled model for Sediment TRansport In Coastal Hazard Events

    CERN Document Server

    Tang, Hui

    2016-01-01

    GeoClaw-STRICHE is designed for simulating the physical impacts of tsunami as it relates to erosion, transport and deposition. GeoClaw-STRICHE comprises of three components: (1) nonlinear shallow water equations; (2) advection-diffusion equation; (3) an equation for morphology updating. Multiple grain sizes and sediment layers are added into GeoClaw-STRICHE to simulate grain-size distribution and add the capability to develop grain-size trends from bottom to the top of a simulated deposit as well as along the inundation. Unlike previous models based on empirical equations or sediment concentration gradient, the standard Van Leer method is applied to calculate sediment flux. We tested and verified GeoClaw-STRICHE with flume experiment by \\citet{johnson2016experimental} and data from the 2004 Indian Ocean tsunami in Kuala Meurisi as published in \\citet{JGRF:JGRF786}. The comparison with experimental data shows GeoClaw-STRICHE's capability to simulate sediment thickness and grain-size distribution in experimenta...

  2. Coupled gel spreading and diffusive transport models describing microbicidal drug delivery

    Science.gov (United States)

    Funke, Claire; MacMillan, Kelsey; Ham, Anthony S.; Szeri, Andrew J.; Katz, David F.

    2016-11-01

    Gels are a drug delivery platform being evaluated for application of active pharmaceutical ingredients, termed microbicides, that act topically against infection by sexually transmitted HIV. Despite success in one Phase IIb trial of a vaginal gel delivering tenofovir, problems of user adherence to designed gel application regimen compromised results in two other trials. The microbicide field is responding to this issue by simultaneously analyzing behavioral determinants of adherence and pharmacological determinants of drug delivery. Central to both user adherence and mucosal drug delivery are gel properties (e.g. rheology) and applied volume. The specific problem to be solved here is to develop a model for how gel rheology and volume, interacting with loaded drug concentration, govern the transport of the microbicide drug tenofovir into the vaginal mucosa to its stromal layer. The analysis here builds upon our current understanding of vaginal gel deployment and drug delivery, incorporating key features of the gel's environment, fluid production and subsequent gel dilution, and vaginal wall elasticity. We consider the microbicide drug tenofovir as it is the most completely studied drug, in both in vitroand in vivostudies, for use in vaginal gel application. Our goal is to contribute to improved pharmacological understanding of gel functionality, providing a computational tool that can be used in future vaginal microbicide gel design.

  3. Coupled gel spreading and diffusive transport models describing microbicidal drug delivery.

    Science.gov (United States)

    Funke, Claire; MacMillan, Kelsey; Ham, Anthony; Szeri, Andrew J; Katz, David F

    2016-10-02

    Gels are a drug delivery platform that is being evaluated for application of active pharmaceutical ingredients, termed microbicides, that act topically against vaginal and rectal mucosal infection by sexually transmitted HIV. Despite success in one Phase IIb trial of a vaginal gel delivering tenofovir, problems of user adherence to designed gel application scheduling have compromised results in two other trials. The microbicides field is responding to this dilemma by expanding behavioral analysis of the determinants of adherence while simultaneously improving the pharmacological, biochemical, and biophysical analyses of the determinants of microbicide drug delivery. The intent is to combine results of these two complementary perspectives on microbicide performance and epidemiological success to create an improved product design paradigm. Central to both user sensory perceptions and preferences, key factors that underlie adherence, and to vaginal gel mucosal drug delivery, that underlies anti-HIV efficacy, are gel properties (e.g. rheology) and volume. The specific engineering problem to be solved here is to develop a model for how gel rheology and volume, interacting with loaded drug concentration, govern the transport of the microbicide drug tenofovir into the vaginal mucosa to its stromal layer. These are factors that can be controlled in microbicide gel design. The analysis here builds upon our current understanding of vaginal gel deployment and drug delivery, incorporating key features of the gel's environment, the vaginal canal, fluid production and subsequent gel dilution, and vaginal wall elasticity. These have not previously been included in the modeling of drug delivery. We consider the microbicide drug tenofovir, which is the drug most completely studied for gels: in vitro, in animal studies in vivo, and in human clinical trials with both vaginal or rectal gel application. Our goal is to contribute to improved biophysical and pharmacological understanding

  4. Coupled modeling of groundwater flow solute transport, chemical reactions and microbial processes in the 'SP' island

    Energy Technology Data Exchange (ETDEWEB)

    Samper, Javier; Molinero, Jorg; Changbing, Yang; Zhang, Guoxiang

    2003-12-01

    The Redox Zone Experiment was carried out at the Aespoe HRL in order to study the redox behavior and the hydrochemistry of an isolated vertical fracture zone disturbed by the excavation of an access tunnel. Overall results and interpretation of the Redox Zone Project were reported by /Banwart et al, 1995/. Later, /Banwart et al, 1999/ presented a summary of the hydrochemistry of the Redox Zone Experiment. Coupled groundwater flow and reactive transport models of this experiment were carried out by /Molinero, 2000/ who proposed a revised conceptual model for the hydrogeology of the Redox Zone Experiment which could explain simultaneously measured drawdown and salinity data. The numerical model was found useful to understand the natural system. Several conclusions were drawn about the redox conditions of recharge waters, cation exchange capacity of the fracture zone and the role of mineral phases such as pyrite, calcite, hematite and goethite. This model could reproduce the measured trends of dissolved species, except for bicarbonate and sulfate which are affected by microbially-mediated processes. In order to explore the role of microbial processes, a coupled numerical model has been constructed which accounts for water flow, reactive transport and microbial processes. The results of this model is presented in this report. This model accounts for groundwater flow and reactive transport in a manner similar to that of /Molinero, 2000/ and extends the preliminary microbial model of /Zhang, 2001/ by accounting for microbially-driven organic matter fermentation and organic matter oxidation. This updated microbial model considers simultaneously the fermentation of particulate organic matter by yeast and the oxidation of dissolved organic matter, a product of fermentation. Dissolved organic matter is produced by yeast and serves also as a substrate for iron-reducing bacteria. Model results reproduce the observed increase in bicarbonate and sulfate concentration, thus

  5. Redox zone II. Coupled modeling of groundwater flow, solute transport, chemical reactions and microbial processes in the Aespoe island

    Energy Technology Data Exchange (ETDEWEB)

    Samper, Javier; Molinero, Jorge; Changbing Yang; Guoxiang Zhang [Univ. Da Coruna (Spain)

    2003-12-01

    The Redox Zone Experiment was carried out at the Aespoe HRL in order to study the redox behaviour and the hydrochemistry of an isolated vertical fracture zone disturbed by the excavation of an access tunnel. Overall results and interpretation of the Redox Zone Project were reported by Banwart et al. Later, Banwart presented a summary of the hydrochemistry of the Redox Zone Experiment. Coupled groundwater flow and reactive transport models of this experiment were carried out by Molinero who proposed a revised conceptual model for the hydrogeology of the Redox Zone Experiment which could explain simultaneously measured drawdown and salinity data. The numerical model was found useful to understand the natural system. Several conclusions were drawn about the redox conditions of recharge waters, cation exchange capacity of the fracture zone and the role of mineral phases such as pyrite, calcite, hematite and goethite. This model could reproduce the measured trends of dissolved species, except for bicarbonate and sulphate which are affected by microbially-mediated processes. In order to explore the role of microbial processes, a coupled numerical model has been constructed which accounts for water flow, reactive transport and microbial processes. The results of this model is presented in this report. This model accounts for groundwater flow and reactive transport in a manner similar to that of Molinero and extends the preliminary microbial model of Zhang by accounting for microbially-driven organic matter fermentation and organic matter oxidation. This updated microbial model considers simultaneously the fermentation of particulate organic matter by yeast and the oxidation of dissolved organic matter, a product of fermentation. Dissolved organic matter is produced by yeast and serves also as a substrate for iron-reducing bacteria. Model results reproduce the observed increase in bicarbonate and sulfaphe concentration, thus adding additional evidence for the possibility

  6. An analytical model for contaminant transport in landfill composite liners considering coupled effect of consolidation, diffusion, and degradation.

    Science.gov (United States)

    Xie, Haijian; Yan, Huaxiang; Feng, Shijin; Wang, Qiao; Chen, Peixiong

    2016-10-01

    One-dimensional mathematical model is developed to investigate the behavior of contaminant transport in landfill composite liner system considering coupled effect of consolidation, diffusion, and degradation. The first- and second-type bottom boundary conditions are used to derive the steady-state and quasi-steady-state analytical solutions. The concentration profiles obtained by the proposed analytical solution are in good agreement with those obtained by the laboratory tests. The bottom concentration and flux of the soil liners can be greatly reduced when the degradation effect and porosity changing are considered. For the case under steady-state, the bottom flux and concentration for the case with t 1/2 =10 years can be 2.8 and 5.5 times lower than those of the case with t 1/2 =100 years, respectively. The bottom concentration and flux of the soil liners can be greatly reduced when the coefficient of volume compressibility decreases. For quasi-steady-state and with t 1/2 = 10 years, the bottom flux and concentration for the case with m v  = 0.02/MPa can be 17.4 and 21 times lower than the case with m v  = 0.5/MPa. This may be due to the fact that the true fluid velocity induced by consolidation is greater for the case with high coefficient of volume compressibility. The bottom flux for the case with single compacted clay liner (CCL) can be 1.5 times larger than that for the case with GMB/CCL considering diffusion and consolidation for DCM. The proposed analytical model can be used for verification of more complicated numerical models and assessment of the coupled effect of diffusion, consolidation, and degradation on contaminant transport in landfill liner systems.

  7. Sodium-Coupled Bicarbonate Transporters

    Directory of Open Access Journals (Sweden)

    Boron WF

    2001-07-01

    Full Text Available Together, the Na(+-coupled HCO(3(- transporters and the AE family of anion exchangers (i.e., Cl-HCO3 exchangers comprise the bicarbonate transporter (BT superfamily. Virtually all BTs are important for the regulation of intracellular pH (pH(i in cells throughout the body. Specific BTs also play roles in cell-volume regulation, as well as for the transport of salt and/or acid-base equivalents across many epithelia. Electrogenic Na/HCO3 cotransporters (NBCe's play key roles in HCO(3(- reabsorption by the renal proximal tubule, and HCO(3(- secretion by the pancreatic duct. Electroneutral NBC's (NBCn's regulate pH(i in vascular smooth muscle and are present in/near axons in the brain. Finally, the Na(+-driven Cl-HCO3 exchanger (NDCBE's appear to be the major pH(i regulators in CNS neurons. A characteristic of most, but not all, BT's is that they are inhibited rather effectively by 4,4'-diisothiocyanostilbene-4,4'-disulfonate (DIDS.

  8. Cation Transport Coupled to ATP Hydrolysis by the (Na, K)-ATPase: An Integrated, Animated Model

    Science.gov (United States)

    Leone, Francisco A.; Furriel, Rosa P. M.; McNamara, John C.; Horisberger, Jean D.; Borin, Ivana A.

    2010-01-01

    An Adobe[R] animation is presented for use in undergraduate Biochemistry courses, illustrating the mechanism of Na[superscript +] and K[superscript +] translocation coupled to ATP hydrolysis by the (Na, K)-ATPase, a P[subscript 2c]-type ATPase, or ATP-powered ion pump that actively translocates cations across plasma membranes. The enzyme is also…

  9. Mathematical modeling of coupled drug and drug-encapsulated nanoparticle transport in patient-specific coronary artery walls

    KAUST Repository

    Hossain, Shaolie S.

    2011-08-20

    The majority of heart attacks occur when there is a sudden rupture of atherosclerotic plaque, exposing prothrombotic emboli to coronary blood flow, forming clots that can cause blockages of the arterial lumen. Diseased arteries can be treated with drugs delivered locally to vulnerable plaques. The objective of this work was to develop a computational tool-set to support the design and analysis of a catheter-based nanoparticulate drug delivery system to treat vulnerable plaques and diffuse atherosclerosis. A threedimensional mathematical model of coupled mass transport of drug and drug-encapsulated nanoparticles was developed and solved numerically utilizing isogeometric finite element analysis. Simulations were run on a patient-specific multilayered coronary artery wall segment with a vulnerable plaque and the effect of artery and plaque inhomogeneity was analyzed. The method captured trends observed in local drug delivery and demonstrated potential for optimizing drug design parameters, including delivery location, nanoparticle surface properties, and drug release rate. © Springer-Verlag 2011.

  10. Mathematical modeling of coupled drug and drug-encapsulated nanoparticle transport in patient-specific coronary artery walls

    Science.gov (United States)

    Hossain, Shaolie S.; Hossainy, Syed F. A.; Bazilevs, Yuri; Calo, Victor M.; Hughes, Thomas J. R.

    2012-02-01

    The majority of heart attacks occur when there is a sudden rupture of atherosclerotic plaque, exposing prothrombotic emboli to coronary blood flow, forming clots that can cause blockages of the arterial lumen. Diseased arteries can be treated with drugs delivered locally to vulnerable plaques. The objective of this work was to develop a computational tool-set to support the design and analysis of a catheter-based nanoparticulate drug delivery system to treat vulnerable plaques and diffuse atherosclerosis. A three-dimensional mathematical model of coupled mass transport of drug and drug-encapsulated nanoparticles was developed and solved numerically utilizing isogeometric finite element analysis. Simulations were run on a patient-specific multilayered coronary artery wall segment with a vulnerable plaque and the effect of artery and plaque inhomogeneity was analyzed. The method captured trends observed in local drug delivery and demonstrated potential for optimizing drug design parameters, including delivery location, nanoparticle surface properties, and drug release rate.

  11. Models for microtubule cargo transport coupling the Langevin equation to stochastic stepping motor dynamics: Caring about fluctuations.

    Science.gov (United States)

    Bouzat, Sebastián

    2016-01-01

    One-dimensional models coupling a Langevin equation for the cargo position to stochastic stepping dynamics for the motors constitute a relevant framework for analyzing multiple-motor microtubule transport. In this work we explore the consistence of these models focusing on the effects of the thermal noise. We study how to define consistent stepping and detachment rates for the motors as functions of the local forces acting on them in such a way that the cargo velocity and run-time match previously specified functions of the external load, which are set on the base of experimental results. We show that due to the influence of the thermal fluctuations this is not a trivial problem, even for the single-motor case. As a solution, we propose a motor stepping dynamics which considers memory on the motor force. This model leads to better results for single-motor transport than the approaches previously considered in the literature. Moreover, it gives a much better prediction for the stall force of the two-motor case, highly compatible with the experimental findings. We also analyze the fast fluctuations of the cargo position and the influence of the viscosity, comparing the proposed model to the standard one, and we show how the differences on the single-motor dynamics propagate to the multiple motor situations. Finally, we find that the one-dimensional character of the models impede an appropriate description of the fast fluctuations of the cargo position at small loads. We show how this problem can be solved by considering two-dimensional models.

  12. Coupled light transport-heat diffusion model for laser dosimetry with dynamic optical properties

    Energy Technology Data Exchange (ETDEWEB)

    London, R.A.; Glinsky, M.E.; Zimmerman, G.B.; Eder, D.C. [Lawrence Livermore National Lab., CA (United States); Jacques, S.L. [Texas Univ., Houston, TX (United States). M.D. Anderson Cancer Center

    1995-03-01

    The effect of dynamic optical properties on the spatial distribution of light in laser therapy is studied via numerical simulations. A two-dimensional, time dependent computer program called LATIS is used. Laser light transport is simulated with a Monte Carlo technique including anisotropic scattering and absorption. Thermal heat transport is calculated with a finite difference algorithm. Material properties are specified on a 2-D mesh and can be arbitrary functions of space and time. Arrhenius rate equations are solved for tissue damage caused by elevated temperatures. Optical properties are functions of tissue damage, as determined by previous measurements. Results are presented for the time variation of the light distribution and damage within the tissue as the optical properties of the tissue are altered.

  13. Bonding Strength Effects in Hydro-Mechanical Coupling Transport in Granular Porous Media by Pore-Scale Modeling

    Directory of Open Access Journals (Sweden)

    Zhiqiang Chen

    2016-03-01

    Full Text Available The hydro-mechanical coupling transport process of sand production is numerically investigated with special attention paid to the bonding effect between sand grains. By coupling the lattice Boltzmann method (LBM and the discrete element method (DEM, we are able to capture particles movements and fluid flows simultaneously. In order to account for the bonding effects on sand production, a contact bond model is introduced into the LBM-DEM framework. Our simulations first examine the experimental observation of “initial sand production is evoked by localized failure” and then show that the bonding or cement plays an important role in sand production. Lower bonding strength will lead to more sand production than higher bonding strength. It is also found that the influence of flow rate on sand production depends on the bonding strength in cemented granular media, and for low bonding strength sample, the higher the flow rate is, the more severe the erosion found in localized failure zone becomes.

  14. Modeling of coupled heat transfer and reactive transport processesin porous media: Application to seepage studies at Yucca Mountain, Nevada

    Energy Technology Data Exchange (ETDEWEB)

    Mukhopadhyay, Sumit; Sonnenthal, Eric L.; Spycher, Nicolas

    2007-01-15

    When hot radioactive waste is placed in subsurface tunnels, a series of complex changes occurs in the surrounding medium. The water in the pore space of the medium undergoes vaporization and boiling. Subsequently, vapor migrates out of the matrix pore space, moving away from the tunnel through the permeable fracture network. This migration is propelled by buoyancy, by the increased vapor pressure caused by heating and boiling, and through local convection. In cooler regions, the vapor condenses on fracture walls, where it drains through the fracture network. Slow imbibition of water thereafter leads to gradual rewetting of the rock matrix. These thermal and hydrological processes also bring about chemical changes in the medium. Amorphous silica precipitates from boiling and evaporation, and calcite from heating and CO2 volatilization. The precipitation of amorphous silica, and to a much lesser extent calcite, results in long-term permeability reduction. Evaporative concentration also results in the precipitation of gypsum (or anhydrite), halite, fluorite and other salts. These evaporative minerals eventually redissolve after the boiling period is over, however, their precipitation results in a significant temporary decrease in permeability. Reduction of permeability is also associated with changes in fracture capillary characteristics. In short, the coupled thermal-hydrological-chemical (THC) processes dynamically alter the hydrological properties of the rock. A model based on the TOUGHREACT reactive transport software is presented here to investigate the impact of THC processes on flow near an emplacement tunnel at Yucca Mountain, Nevada. We show how transient changes in hydrological properties caused by THC processes often lead to local flow channeling and saturation increases above the tunnel. For models that include only permeability changes to fractures, such local flow channeling may lead to seepage relative to models where THC effects are ignored. However

  15. Modeling of coupled heat transfer and reactive transport processesin porous media: Application to seepage studies at Yucca Mountain, Nevada

    Energy Technology Data Exchange (ETDEWEB)

    Mukhopadhyay, S.; Sonnenthal, E.L.; Spycher, N.

    2007-01-15

    When hot radioactive waste is placed in subsurface tunnels, a series of complex changes occurs in the surrounding medium. The water in the pore space of the medium undergoes vaporization and boiling. Subsequently, vapor migrates out of the matrix pore space, moving away from the tunnel through the permeable fracture network. This migration is propelled by buoyancy, by the increased vapor pressure caused by heating and boiling, and through local convection. In cooler regions, the vapor condenses on fracture walls, where it drains through the fracture network. Slow imbibition of water thereafter leads to gradual rewetting of the rock matrix. These thermal and hydrological processes also bring about chemical changes in the medium. Amorphous silica precipitates from boiling and evaporation, and calcite from heating and CO{sub 2} volatilization. The precipitation of amorphous silica, and to a much lesser extent calcite, results in long-term permeability reduction. Evaporative concentration also results in the precipitation of gypsum (or anhydrite), halite, fluorite and other salts. These evaporative minerals eventually redissolve after the boiling period is over, however, their precipitation results in a significant temporary decrease in permeability. Reduction of permeability is also associated with changes in fracture capillary characteristics. In short, the coupled thermal-hydrological-chemical (THC) processes dynamically alter the hydrological properties of the rock. A model based on the TOUGHREACT reactive transport software is presented here to investigate the impact of THC processes on flow near an emplacement tunnel at Yucca Mountain, Nevada. We show how transient changes in hydrological properties caused by THC processes often lead to local flow channeling and saturation increases above the tunnel. For models that include only permeability changes to fractures, such local flow channeling may lead to seepage relative to models where THC effects are ignored

  16. Modeling of Solidification Microstructures Based on Fully Coupling of Macro-transport Phenomena with Cellular Automata

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    This paper has attempted to simulate the microstructure formation based on fully coupling of temperature field, concentration field and velocity field with micro-kinetics. The authors presented a new way, wlich is the combination of FDM and cellular automata (CAFD) to visualize the microstructure formation of the thin complex superalloy turbine blades cast by the vacuum investment process. The distribution, orientation and mechanism of the heterogeneous nucleation, the growth kinetics of dendrites and the columnar to equiaxed transition (CET) are considered. Capitalizing on these simulating schemes, the comprehensive influence of key process variables on the scale and uniformity of grains has been investigated quantitatively. The simulated grain size and morphology agree well with the experimental results.

  17. The effect of coupled mass transport and internal reforming on modeling of solid oxide fuel cells part II: Benchmarking transient response and dynamic model fidelity assessment

    Science.gov (United States)

    Albrecht, Kevin J.; Braun, Robert J.

    2016-02-01

    One- and 'quasi' two-dimensional (2-D) dynamic, interface charge transport models of a solid oxide fuel cell (SOFC) developed previously in a companion paper, are benchmarked against other models and simulated to evaluate the effects of coupled transport and chemistry. Because the reforming reaction can distort the concentration profiles of the species within the anode, a 'quasi' 2-D model that captures porous media mass transport and electrochemistry is required. The impact of a change in concentration at the triple-phase boundary is twofold wherein the local Nernst potential and anode exchange current densities are influenced, thereby altering the current density and temperature distributions of the cell. Thus, the dynamic response of the cell models are compared, and benchmarked against previous channel-level models to gauge the relative importance of capturing in-situ reforming phenomena on cell performance. Simulation results indicate differences in the transient electrochemical response for a step in current density where the 'quasi' 2-D model predicts a slower rise and fall in cell potential due to the additional volume of the porous media and mass transport dynamics. Delays in fuel flow rate are shown to increase the difference observed in the electrochemical response of the cells.

  18. How to bridge the gap between "unresolved" model and "resolved" model in CFD-DEM coupled method for sediment transport?

    Science.gov (United States)

    Liu, D.; Fu, X.; Liu, X.

    2016-12-01

    In nature, granular materials exist widely in water bodies. Understanding the fundamentals of solid-liquid two-phase flow, such as turbulent sediment-laden flow, is of importance for a wide range of applications. A coupling method combining computational fluid dynamics (CFD) and discrete element method (DEM) is now widely used for modeling such flows. In this method, when particles are significantly larger than the CFD cells, the fluid field around each particle should be fully resolved. On the other hand, the "unresolved" model is designed for the situation where particles are significantly smaller than the mesh cells. Using "unresolved" model, large amount of particles can be simulated simultaneously. However, there is a gap between these two situations when the size of DEM particles and CFD cell is in the same order of magnitude. In this work, the most commonly used void fraction models are tested with numerical sedimentation experiments. The range of applicability for each model is presented. Based on this, a new void fraction model, i.e., a modified version of "tri-linear" model, is proposed. Particular attention is paid to the smooth function of void fraction in order to avoid numerical instability. The results show good agreement with the experimental data and analytical solution for both single-particle motion and also group-particle motion, indicating great potential of the new void fraction model.

  19. REACTIVE TRANSPORT MODELING USING A PARALLEL FULLY-COUPLED SIMULATOR BASED ON PRECONDITIONED JACOBIAN-FREE NEWTON-KRYLOV

    Energy Technology Data Exchange (ETDEWEB)

    Luanjing Guo; Chuan Lu; Hai Huang; Derek R. Gaston

    2012-06-01

    Systems of multicomponent reactive transport in porous media that are large, highly nonlinear, and tightly coupled due to complex nonlinear reactions and strong solution-media interactions are often described by a system of coupled nonlinear partial differential algebraic equations (PDAEs). A preconditioned Jacobian-Free Newton-Krylov (JFNK) solution approach is applied to solve the PDAEs in a fully coupled, fully implicit manner. The advantage of the JFNK method is that it avoids explicitly computing and storing the Jacobian matrix during Newton nonlinear iterations for computational efficiency considerations. This solution approach is also enhanced by physics-based blocking preconditioning and multigrid algorithm for efficient inversion of preconditioners. Based on the solution approach, we have developed a reactive transport simulator named RAT. Numerical results are presented to demonstrate the efficiency and massive scalability of the simulator for reactive transport problems involving strong solution-mineral interactions and fast kinetics. It has been applied to study the highly nonlinearly coupled reactive transport system of a promising in situ environmental remediation that involves urea hydrolysis and calcium carbonate precipitation.

  20. A 3-D variational assimilation scheme in coupled transport-biogeochemical models: Forecast of Mediterranean biogeochemical properties.

    Science.gov (United States)

    Teruzzi, Anna; Dobricic, Srdjan; Solidoro, Cosimo; Cossarini, Gianpiero

    2014-01-01

    [1] Increasing attention is dedicated to the implementation of suitable marine forecast systems for the estimate of the state of the ocean. Within the framework of the European MyOcean infrastructure, the pre-existing short-term Mediterranean Sea biogeochemistry operational forecast system has been upgraded by assimilating remotely sensed ocean color data in the coupled transport-biogeochemical model OPATM-BFM using a 3-D variational data assimilation (3D-VAR) procedure. In the present work, the 3D-VAR scheme is used to correct the four phytoplankton functional groups included in the OPATM-BFM in the period July 2007 to September 2008. The 3D-VAR scheme decomposes the error covariance matrix using a sequence of different operators that account separately for vertical covariance, horizontal covariance, and covariance among biogeochemical variables. The assimilation solution is found in a reduced dimensional space, and the innovation for the biogeochemical variables is obtained by the sequential application of the covariance operators. Results show a general improvement in the forecast skill, providing a correction of the basin-scale bias of surface chlorophyll concentration and of the local-scale spatial and temporal dynamics of typical bloom events. Further, analysis of the assimilation skill provides insights into the functioning of the model. The computational costs of the assimilation scheme adopted are low compared to other assimilation techniques, and its modular structure facilitates further developments. The 3D-VAR scheme results especially suitable for implementation within a biogeochemistry operational forecast system.

  1. Modeling multicomponent ionic transport in groundwater with IPhreeqc coupling: Electrostatic interactions and geochemical reactions in homogeneous and heterogeneous domains

    DEFF Research Database (Denmark)

    Muniruzzaman, Muhammad; Rolle, Massimo

    2016-01-01

    The key role of small-scale processes like molecular diffusion and electrochemical migration has been increasingly recognized in multicomponent reactive transport in saturated porous media. In this study, we propose a two-dimensional multicomponent reactive transport model taking into account...... the electrostatic interactions during transport of charged ions in physically and chemically heterogeneous porous media. The modeling approach is based on the local charge balance and on the description of compound-specific and spatially variable diffusive/dispersive fluxes. The multicomponent ionic transport code...

  2. Coupled hydrogeological and solute transport, visualisation and supportive detailed reaction modelling

    Energy Technology Data Exchange (ETDEWEB)

    Molinero, Jorge; Arcos, David; Duro, Lara (Amphos XXI Consulting S.L., Barcelona (Spain))

    2008-08-15

    This report summarises the main findings achieved by spatial analysis of hydrochemical information using 3D visualisation techniques with the available Forsmark 2.3 hydrochemical database. A major improvement compared with previous versions is that the current visualisation tool can handle the Fracture Domain geometries of the site, which is useful for integration of hydrochemical data with current geological-hydrogeological conceptual models. It is seen that computed M3 mixing fractions show a spatial distribution qualitatively correlated with key hydrochemical signatures, such as strontium (for Deep Saline), magnesium (for Littorina), 18O and 2H (for Glacial) and tritium (for Modified meteoric). It is worth noting that the most saline waters with the highest Deep Saline signatures are located at deformation zones adjacent to the strongly foliated rocks, which constitute fracture domains FFM04 and FFM05, out of the target area. Maximum glacial signatures are also located outside the target area. In general terms, it is seen that hydrochemical spatial distribution is consistent with the current hydrogeological conceptual model, where the 'shallow bedrock aquifer' would be responsible for the observed preservation of Littorina signatures down to a depth of 150-200 m

  3. A model for hydraulic redistribution incorporating coupled soil-root moisture transport

    Directory of Open Access Journals (Sweden)

    G. G. Amenu

    2007-10-01

    Full Text Available One of the adaptive strategies of vegetation, particularly in water limited ecosystems, is the development of deep roots and the use of hydraulic redistribution which enables them to make optimal use of resources available throughout the soil column. Hydraulic redistribution refers to roots acting as a preferential pathway for the movement of water from wet to dry soil layers driven by the moisture gradient – be it from the shallow to deep layers or vice versa. This occurs during the nighttime while during the daytime moisture movement is driven to fulfill the transpiration demand at the canopy. In this study, we develop a model to investigate the effect of hydraulic redistribution by deep roots on the terrestrial climatology. Sierra Nevada eco-region is chosen as the study site which has wet winters and dry summers. Hydraulic redistribution enables the movement of moisture from the upper soil layers to deeper zones during the wet months and this moisture is then available to meet the transpiration demand during the late dry season. It results in significant alteration of the profiles of soil moisture and water uptake as well as increase in the canopy transpiration, carbon assimilation, and the associated water-use-efficiency during the dry summer season. This also makes the presence of roots in deeper soil layers much more important than their proportional abundance would otherwise dictate. Comparison with observations of latent heat from a flux tower demonstrates improved predictability and provides validation of the model results. Hydraulic redistribution serves as a mechanism for the interaction between the variability of deep layer soil-moisture and the land-surface climatology and could have significant implications for seasonal and sub-seasonal climate prediction.

  4. A model for hydraulic redistribution incorporating coupled soil-root moisture transport

    Directory of Open Access Journals (Sweden)

    G. G. Amenu

    2008-01-01

    Full Text Available One of the adaptive strategies of vegetation, particularly in water limited ecosystems, is the development of deep roots and the use of hydraulic redistribution which enables them to make optimal use of resources available throughout the soil column. Hydraulic redistribution refers to roots acting as a preferential pathway for the movement of water from wet to dry soil layers driven by the moisture gradient – be it from the shallow to deep layers or vice versa. This occurs during the nighttime while during the daytime moisture movement is driven to fulfill the transpiration demand at the canopy. In this study, we develop a model to investigate the effect of hydraulic redistribution by deep roots on the terrestrial climatology. Sierra Nevada eco-region is chosen as the study site which has wet winters and dry summers. Hydraulic redistribution enables the movement of moisture from the upper soil layers to deeper zones during the wet months and this moisture is then available to meet the transpiration demand during the late dry season. It results in significant alteration of the profiles of soil moisture and water uptake as well as increase in the canopy transpiration, carbon assimilation, and the associated water-use-efficiency during the dry summer season. This also makes the presence of roots in deeper soil layers much more important than their proportional abundance would otherwise dictate. Comparison with observations of latent heat from a flux tower demonstrates improved predictability and provides validation of the model results. Hydraulic redistribution serves as a mechanism for the interaction between the variability of deep layer soil-moisture and the land-surface climatology and could have significant implications for seasonal and sub-seasonal climate prediction.

  5. Transportation dynamic on coupled networks with limited bandwidth

    CERN Document Server

    Li, Ming; Wang, Bing-Hong

    2016-01-01

    The communication networks in real world often couple with each other to save costs, which results in any network does not have a stand-alone function and efficiency. To investigate this, in this paper we propose a transportation model on two coupled networks with bandwidth sharing. We find that the free-flow state and the congestion state can coexist in the two coupled networks, and the free-flow path and congestion path can coexist in each network. Considering three bandwidth-sharing mechanisms, random, assortative and disassortative couplings, we also find that the transportation capacity of the network only depends on the coupling mechanism, and the fraction of coupled links only affects the performance of the system in the congestion state, such as the traveling time. In addition, with assortative coupling, the traffic capacity of the system will decrease significantly. However, the disassortative coupling has little influence on the transportation capacity of the system, which provides a good strategy t...

  6. The effect of coupled mass transport and internal reforming on modeling of solid oxide fuel cells part I: Channel-level model development and steady-state comparison

    Science.gov (United States)

    Albrecht, Kevin J.; Braun, Robert J.

    2016-02-01

    Dynamic modeling and analysis of solid oxide fuel cell systems can provide insight towards meeting transient response application requirements and enabling an expansion of the operating envelope of these high temperature systems. SOFC modeling for system studies are accomplished with channel-level interface charge transfer models, which implement dynamic conservation equations coupled with additional submodels to capture the porous media mass transport and electrochemistry of the cell. Many of these models may contain simplifications in order to decouple the mass transport, fuel reforming, and electrochemical processes enabling the use of a 1-D model. The reforming reactions distort concentration profiles of the species within the anode, where hydrogen concentration at the triple-phase boundary may be higher or lower than that of the channel altering the local Nernst potential and exchange current density. In part one of this paper series, the modeling equations for the 1-D and 'quasi' 2-D models are presented, and verified against button cell electrochemical and channel-level reforming data. Steady-state channel-level modeling results indicate a 'quasi' 2-D SOFC model predicts a more uniform temperature distribution where differences in the peak cell temperature and maximum temperature gradient are experienced. The differences are most prominent for counter-flow cell with high levels of internal reforming. The transient modeling comparison is discussed in part two of this paper series.

  7. Modelling transport and transformation of mercury fractions in heavily contaminated mountain streams by coupling a GIS-based hydrological model with a mercury chemistry model.

    Science.gov (United States)

    Lin, Yan; Larssen, Thorjørn; Vogt, Rolf D; Feng, Xinbin; Zhang, Hua

    2011-10-01

    Many heavily polluted areas are located in remote regions that lack routine hydrologic monitoring. A modelling method that can produce scenarios of water chemistry trends for regions that lack hydrological data is therefore needed. The Wanshan mining area, in Guizhou province in south-western China, is such a region, as it is heavily polluted with mercury (Hg). In order to model Hg transport in a stream draining the Wanshan mining area, a Geographic Information System (GIS) hydrologic model (HEC-HMS) was coupled with a simulation model for Hg fractions in water (WASP Hg). Hydrological variations in the stream flow can thereby be simulated based on readily available precipitation data. The WASP 7 MERC Hg model was used for simulating variations in total Hg, dissolved Hg and methyl-Hg concentrations. The results of HEC-HMS modelling of flow show clear seasonal variation. Winter (Oct-Dec) constitutes the dry season with low flow, while the summer season (Jun-Aug) is rainy with high flow. 48% of total annual precipitation happens in the three summer months. The stream flows at the high flow events were several times higher than normal flow. The modelled total suspended solids and Hg concentrations were tested against monitoring data from two sampling campaigns conducted in September 2007 and August 2008. The model produced reasonable simulations for TSS, THg, DHg and MeHg, with relative errors generally around 10% for the modelled parameters. High flow events are the main contributors for release of both suspended particles and Hg. The three high flow events account for about 50% of annual discharge of THg. The annual total discharge of Hg was 8.8 kg Hg high up in the stream and 2.6 kg where the stream meets a large river 20 km downstream of the pollution source. Hence, about 70% of Hg is retained in the stream through sedimentation.

  8. A model for coupled electro-hydro-mechanical processes in fine grained soils accounting for gas generation and transport

    Energy Technology Data Exchange (ETDEWEB)

    Tamagnini, Claudio; Cattaneo, Fabio [Universita degli Studi di Perugia (Italy). Dept. of Civil and Environmental Engineering; Jommi, Cristina [Politecnico di Milano (Italy). Dept. of Structural Engineering

    2010-07-01

    A theoretical and numerical model is developed for the quantitative analysis of coupled processes taking place in active waste containment systems, such as electrokinetic barriers or fences, in which a low intensity D C current is circulated across the clay barrier to move polar and non-polar contaminants. A novel feature of the proposed approach is the allowance for the presence of air in the pore space. Under unsaturated conditions, all transport coefficients involved in the electrokinetic process are strongly dependent on the degree of saturation of pore liquid. In order to assess the predictive capability of the proposed theory and to appreciate the impact of gas production at the electrodes, a series of numerical simulations of simple one dimensional electrokinetic tests have been performed. The results of the simulations compare reasonably well with data obtained from laboratory experiments performed on an illitic clayey silt. The numerical results indicate that the impact of gas production at the electrodes can be significant, even in low-intensity and short-duration treatments. (author)

  9. Modeling of Calcite Precipitation Driven by Bacteria-facilitated Urea Hydrolysis in A Flow Column Using A Fully Coupled, Fully Implicit Parallel Reactive Transport Simulator

    Science.gov (United States)

    Guo, L.; Huang, H.; Gaston, D.; Redden, G. D.

    2009-12-01

    One approach for immobilizing subsurface metal contaminants involves stimulating the in situ production of mineral phases that sequester or isolate contaminants. One example is using calcium carbonate to immobilize strontium. The success of such approaches depends on understanding how various processes of flow, transport, reaction and resulting porosity-permeability change couple in subsurface systems. Reactive transport models are often used for such purpose. Current subsurface reactive transport simulators typically involve a de-coupled solution approach, such as operator-splitting, that solves the transport equations for components and batch chemistry sequentially, which has limited applicability for many biogeochemical processes with fast kinetics and strong medium property-reaction interactions. A massively parallel, fully coupled, fully implicit reactive transport simulator has been developed based on a parallel multi-physics object oriented software environment computing framework (MOOSE) developed at the Idaho National Laboratory. Within this simulator, the system of transport and reaction equations is solved simultaneously in a fully coupled manner using the Jacobian Free Newton-Krylov (JFNK) method with preconditioning. The simulator was applied to model reactive transport in a one-dimensional column where conditions that favor calcium carbonate precipitation are generated by urea hydrolysis that is catalyzed by urease enzyme. Simulation results are compared to both laboratory column experiments and those obtained using the reactive transport simulator STOMP in terms of: the spatial and temporal distributions of precipitates and reaction rates and other major species in the reaction system; the changes in porosity and permeability; and the computing efficiency based on wall clock simulation time.

  10. A model for coupled electro-hydro-mechanical processes in fine grained soils accounting for gas generation and transport

    Directory of Open Access Journals (Sweden)

    Claudio Tamagnini

    2010-03-01

    Full Text Available A theoretical and numerical model is developed for the quantitative analysis of coupled processes taking place in active waste containment systems, such as electrokinetic barriers or fences, in which alow intensity DC current is circulated across the clay barrier to move polar and non-polar contaminants. A novel feature of the proposed approach is the allowance for the presence of air in the pore space. Under unsaturated conditions, all transport coefficients involved in the electrokinetic process are strongly dependent on the degree of saturation of pore liquid. In order to assess the predictive capability of the proposed theory and to appreciate the impact of gas production at the electrodes, a series of numerical simulations of simple onedimensional electrokinetic tests have been performed. The results of the simulations compare reasonably well with data obtained from laboratory experiments performed on an illitic clayey silt. The numerical results indicate that the impact of gas production at the electrodes can be significant, even in low-intensity and short-duration treatments.Um modelo teórico e computacional é desenvolvido para a análise quantitativa de processos acoplados que tomam lugar em sistemas de contenção de lixo tais como barreiras ou grades eletrocinéticas no qual uma DC corrente de baixa intensidade é circulada através da barreira de argila para movimentar contaminantes polares e não polares. Uma nova característica da abordagem proposta é permitir a presença de ar nos poros. Sob condições não saturadas todos os coeficientes de transporte envolvidos nos processos eletrocinéticos são fortemente dependentes do grau de saturação do líquido. Com o objetivo de avaliar a capacidade do modelo proposto de predizer e de apreciar o impacto da produção de gás nos eletrodos uma série de simulações numéricas foi realizada em testes eletrocinéticos simples unidimensionais. Os resultados das simulações concordam

  11. Coupling WEPP and 3ST1D models for improved prediction of flow and sediment transport at watershed scales

    Science.gov (United States)

    Watershed modeling is a key component of watershed management that involves the simulation of hydrological and fluvial processes for predicting flow and sediment transport within a watershed. For practical purposes, most numerical models have been developed to simulate either runoff and soil erosion...

  12. Regional coupling of unsaturated and saturated flow and transport modeling - implementation at an alpine foothill aquifer in Austria

    Science.gov (United States)

    Klammler, G.; Rock, G.; Kupfersberger, H.; Fank, J.

    2012-04-01

    interval of every hydrotope vertical profile until the lowest observed groundwater table is reached. The fluctuation range of the phreatic surface is also discretized in 10 cm intervals and used as outflow boundary condition. By this procedure, the influence of the groundwater table on the water and nitrate mass leaving the unsaturated can be considered taken into account varying soil horizons. To cover saturated flow in the WLF aquifer a 2-dimensional transient horizontal flow and solute transport model is set up. A sequential coupling between the two models is implemented, i.e. a unidirectional transfer of recharge and nitrate mass outflow from the hydrotopes to the saturated compartment. For this purpose, a one-time assignment between the spatial discretization of the hydrotopes and the finite element mesh has to be set up. The resulting groundwater table computed for a given time step with the input from SIMWASER/STOTRASIM is then used to extract the corresponding water and nitrate mass values from the look-up table to be used for the consecutive time step. This process is being repeated until the end of the simulation period. Within this approach there is no direct feedback between the unsaturated and the saturated aquifer compartment, i.e. there is no simultaneous (within the same time step) update of the pressure head - unsaturated head relationship at the soil and the phreatic surface (like is shown e.g. in Walsum and Groedendijk, 2008). For the dominating coarse sand conditions of the WLF aquifer we believe that this simplification is not of further relevance. For higher soil moisture contents (i.e. almost full saturation near the groundwater table) the curve returns to specific retention within a short vertical distance. Thus, there might only be mutual impact between soil and phreatic surface conditions for shallow groundwater tables. However, it should be mentioned here that all other processes in the two compartments (including capillary rise due to clay rich

  13. Reactive transport modeling of coupled feldspar dissolution and secondary mineral precipitation and its implication for diagenetic interaction in sandstones

    Science.gov (United States)

    Yuan, Guanghui; Cao, Yingchang; Gluyas, Jon; Jia, Zhenzhen

    2017-06-01

    Dissolution of feldspars and precipitation of secondary minerals (kaolinite, illite and quartz) are significant diagenetic processes in arkosic sandstones. We examined moderately buried sandstones in the Eocene Shahejie Formation from two sags in the Bohai Bay Basin, East China. Three different types of mineral assemblages (MA) were identified: extensively leached feldspars with a large amount of authigenic kaolinite and quartz cement (MA-1), extensively leached feldspars with a large amount of authigenic kaolinite and minor quartz cement (MA-2), and extensively leached feldspars with a small amount of both authigenic kaolinite and quartz cement (MA-3). Numerical simulations at the continuum scale using Geochemist's Workbench 9.0 were conducted to decipher the origin of the different mineral assemblages. The physicochemical reactions including feldspar dissolution, transport of Al3+ and SiO2(aq), and precipitation of kaolinite and quartz are coupled together in these simulations, with constraints of chemical reactions, kinetic law, dispersion, and advection. Modeling results suggest that a dissolution zone, a transitional zone, and a precipitation zone can be formed in a sandstone unit with suitable constraints of temperature, flow rate, fluid composition and mineral reaction rate. And MA-3, MA-2, and MA-1 assemblages develop in these three zones respectively. The higher SiO2(aq) concentration required for the saturation of quartz than for kaolinite and the low Al3+ concentration needed for the saturation of kaolinite lead to the precipitation of only kaolinite in the transitional zone in a geochemical system with feldspar dissolution serving as the dominant source of SiO2(aq) and Al3+. Comparisons between modeling results and observations of natural sandstone diagenesis suggest that an MA-1 assemblage is likely to occur in buried sandstones at high temperatures (>70-80 °C) and low flow rates. An MA-2 assemblage may occur in moderately buried sandstones at

  14. Anomalous transport at weak coupling

    CERN Document Server

    Chowdhury, Subham Dutta

    2015-01-01

    We evaluate the contribution of chiral fermions in $d=2, 4, 6$, chiral bosons, a chiral gravitino like theory in $d=2$ and chiral gravitinos in $d=6$ to all the leading parity odd transport coefficients at one loop. This is done by using finite temperature field theory to evaluate the relevant Kubo formulae. For chiral fermions and chiral bosons the relation between the parity odd transport coefficient and the microscopic anomalies including gravitational anomalies agree with that found by using the general methods of hydrodynamics and the argument involving the consistency of the Euclidean vacuum. For the gravitino like theory in $d=2$ and chiral gravitinos in $d=6$, we show that relation between the pure gravitational anomaly and parity odd transport breaks down. From the perturbative calculation we clearly identify the terms that contribute to the anomaly polynomial, but not to the transport coefficient for gravitinos. We also develop a simple method for evaluating the angular integrals in the one loop dia...

  15. A coupled geochemical-transport-geomechanical model to address caprock integrity during long-term CO2 storage

    NARCIS (Netherlands)

    Veer, E.F. van der; Waldmann, S.; Fokker, P.A.

    2015-01-01

    Underground storage of CO2 will lead to chemical fluid-rock interactions which may potentially alter the porosity and the flow patterns in faults. In this study, we present a coupled numerical model combining chemical fluid-rock interactions, aqueous diffusion, fluid flow, and mechanical processes,

  16. Model prodrugs designed for the intestinal peptide transporter. A synthetic approach for coupling of hydroxy-containing compounds to dipeptides

    DEFF Research Database (Denmark)

    Friedrichsen, G M; Nielsen, C U; Steffansen, B

    2001-01-01

    The human peptide transporter, hPepT1, situated in the small intestine, may be exploited to increase absorption of drugs or model drugs by attaching them to a dipeptide, which is recognised by hPepT1. A synthetic protocol for this kind of model prodrugs was developed, in which model drugs...... intestine and be converted to the parent drug during or after transport into the blood circulation. Therefore, we investigated the influence of the electronegativity of the substituent in the 4-position of the phenyl ring on stability in aqueous solution at pH 6.0 and 7.4, corresponding to pH in jejunum...... and blood, respectively. In addition, the influence of the electronegativity of the substituent on stability upon storage was examined. Model prodrugs containing electron donating substituents in the 4-position of the phenyl ring decomposed upon storage, while model prodrugs containing no substituents...

  17. A coupled transport and solid mechanics formulation with improved reaction kinetics parameters for modeling oxidation and decomposition in a uranium hydride bed.

    Energy Technology Data Exchange (ETDEWEB)

    Salloum, Maher N.; Shugard, Andrew D.; Kanouff, Michael P.; Gharagozloo, Patricia E.

    2013-03-01

    Modeling of reacting flows in porous media has become particularly important with the increased interest in hydrogen solid-storage beds. An advanced type of storage bed has been proposed that utilizes oxidation of uranium hydride to heat and decompose the hydride, releasing the hydrogen. To reduce the cost and time required to develop these systems experimentally, a valid computational model is required that simulates the reaction of uranium hydride and oxygen gas in a hydrogen storage bed using multiphysics finite element modeling. This SAND report discusses the advancements made in FY12 (since our last SAND report SAND2011-6939) to the model developed as a part of an ASC-P&EM project to address the shortcomings of the previous model. The model considers chemical reactions, heat transport, and mass transport within a hydride bed. Previously, the time-varying permeability and porosity were considered uniform. This led to discrepancies between the simulated results and experimental measurements. In this work, the effects of non-uniform changes in permeability and porosity due to phase and thermal expansion are accounted for. These expansions result in mechanical stresses that lead to bed deformation. To describe this, a simplified solid mechanics model for the local variation of permeability and porosity as a function of the local bed deformation is developed. By using this solid mechanics model, the agreement between our reacting bed model and the experimental data is improved. Additionally, more accurate uranium hydride oxidation kinetics parameters are obtained by fitting the experimental results from a pure uranium hydride oxidation measurement to the ones obtained from the coupled transport-solid mechanics model. Finally, the coupled transport-solid mechanics model governing equations and boundary conditions are summarized and recommendations are made for further development of ARIA and other Sandia codes in order for them to sufficiently implement the model.

  18. Coupled electric and transport phenomena in porous media

    NARCIS (Netherlands)

    Li, Shuai

    2014-01-01

    The coupled electrical and transport properties of clay-containing porous media are the topics of interest in this study. Both experimental and numerical (pore network modeling) techniques are employed to gain insight into the macro-scale interaction between electrical and solute transport phenomena

  19. Coupled electric and transport phenomena in porous media

    NARCIS (Netherlands)

    Li, Shuai

    2014-01-01

    The coupled electrical and transport properties of clay-containing porous media are the topics of interest in this study. Both experimental and numerical (pore network modeling) techniques are employed to gain insight into the macro-scale interaction between electrical and solute transport phenomena

  20. A coupled RL and transport model for mixed-field proton irradiation of Al2O3:C

    DEFF Research Database (Denmark)

    Greilich, Steffen; Edmund, Jens Morgenthaler; Jain, Mayank

    2008-01-01

    effects and inelastic hadronic scattering occur in proton therapy dosimetry. To investigate these aspects in relation to our system, we have combined simulation of particle transportation with a luminescence generation code based on track structure theory. The model was found to qualitatively reproduce...... the main features in experimental data from proton irradiations. (c) 2008 Elsevier Ltd. All rights reserved....

  1. Developments and Validations of Fully Coupled CFD and Practical Vortex Transport Method for High-Fidelity Wake Modeling in Fixed and Rotary Wing Applications

    Science.gov (United States)

    Anusonti-Inthra, Phuriwat

    2010-01-01

    A novel Computational Fluid Dynamics (CFD) coupling framework using a conventional Reynolds-Averaged Navier-Stokes (BANS) solver to resolve the near-body flow field and a Particle-based Vorticity Transport Method (PVTM) to predict the evolution of the far field wake is developed, refined, and evaluated for fixed and rotary wing cases. For the rotary wing case, the RANS/PVTM modules are loosely coupled to a Computational Structural Dynamics (CSD) module that provides blade motion and vehicle trim information. The PVTM module is refined by the addition of vortex diffusion, stretching, and reorientation models as well as an efficient memory model. Results from the coupled framework are compared with several experimental data sets (a fixed-wing wind tunnel test and a rotary-wing hover test).

  2. Coupled Chemical and Thermal Processes During Contact Metamorphism: Constraining Rates and Duration with Time-Dependent 3-D Heat and Mass Transport Modeling of Fluid-Rock Systems

    Science.gov (United States)

    Dutrow, B. L.; Henry, D.; Gable, C. W.; Heydari, E.; Travis, B. J.

    2016-12-01

    Hydrothermal, metamorphic and metasomatic rocks develop through a complex set of coupled thermal, chemical and mechanical processes that contain non-linear feedbacks. The integrated outcome results in a mineral assemblage with a specific texture that records the rates, magnitude and duration of the controlling processes. However, it is often difficult to extract this coupled information from the rock record due to the competing and time-integrated nature of the final product. A particularly problematic case arises when advective metasomatism accompanies thermal energy transport. Advective transport of reactive components by thermally driven flowing fluids can dramatically alter the original bulk rock chemistry. In some instances, these chemical transformations are slow but in others, these alterations can occur over short time scales (yrs). To facilitate investigations of coupled, complex systems and to constrain the rates, duration and relative importance of governing processes during a thermal event, high-resolution 3-D time dependent computational modeling is used. An example of the integrated effects of thermal and chemical transport is found in subsurface Louisiana. Here, an 11m alkali igneous dike intruded Late Jurassic sandy limestones transforming these into new mineral assemblages rich in alkali, alkaline earth elements and F; hydrogrossular, diopside, pectolite (pct), apophyllite, fluorite, and feldspars. Increased temperatures (Ts) and significant mass transport of components from the dike into the host rocks are required. A series of coupled heat and mass transport calculations constrain the rates and duration of the thermal pulse and provide insights into the time-scale of mass transport within this system. For example, calculations incorporating silica transport indicate that at the pct zone (1.5m), thermal conditions remained above 150oC for 2.8 yrs assuming anisotropic permeability (K) and 4.2 yrs (layered K) reaching Tmax at 0.36 (aniso) or 0.53 yr

  3. Coupled electron-photon radiation transport

    Energy Technology Data Exchange (ETDEWEB)

    Lorence, L.; Kensek, R.P.; Valdez, G.D.; Drumm, C.R.; Fan, W.C.; Powell, J.L.

    2000-01-17

    Massively-parallel computers allow detailed 3D radiation transport simulations to be performed to analyze the response of complex systems to radiation. This has been recently been demonstrated with the coupled electron-photon Monte Carlo code, ITS. To enable such calculations, the combinatorial geometry capability of ITS was improved. For greater geometrical flexibility, a version of ITS is under development that can track particles in CAD geometries. Deterministic radiation transport codes that utilize an unstructured spatial mesh are also being devised. For electron transport, the authors are investigating second-order forms of the transport equations which, when discretized, yield symmetric positive definite matrices. A novel parallelization strategy, simultaneously solving for spatial and angular unknowns, has been applied to the even- and odd-parity forms of the transport equation on a 2D unstructured spatial mesh. Another second-order form, the self-adjoint angular flux transport equation, also shows promise for electron transport.

  4. 1-D coupled non-equilibrium sediment transport modeling for unsteady flows in the discontinuous Galerkin framework

    Institute of Scientific and Technical Information of China (English)

    Farzam Safarzadeh MALEKI; Abdul A KHAN

    2016-01-01

    A high-resolution, 1-D numerical model has been developed in the discontinuous Galerkin framework to simulate 1-D flow behavior, sediment transport, and morphological evaluation under unsteady flow conditions. The flow and sediment concentration variables are computed based on the one-dimensional shallow water flow equations, while empirical equations are used for entrainment and deposition processes. The sediment transport model includes the bed load and suspended load components. New formulations for Harten-Lax-van Leer (HLL) and Harten-Lax-van Contact (HLLC) are presented for shallow water flow equations that include the bed load and suspended load fluxes. The computational results for the flow and morphological changes after two dam break events are compared with the physical model tests. Results show that the modified HLL and HLLC formulations are robust and can accurately predict morphological changes in highly unsteady flows.

  5. Low-frequency variability and heat transport in a low-order nonlinear coupled ocean-atmosphere model

    CERN Document Server

    Vannitsem, Stéphane; De Cruz, Lesley; Ghil, Michael

    2014-01-01

    We formulate and study a low-order nonlinear coupled ocean-atmosphere model with an emphasis on the impact of radiative and heat fluxes and of the frictional coupling between the two components. This model version extends a previous 24-variable version by adding a dynamical equation for the passive advection of temperature in the ocean, together with an energy balance model. The bifurcation analysis and the numerical integration of the model reveal the presence of low-frequency variability (LFV) concentrated on and near a long-periodic, attracting orbit. This orbit combines atmospheric and oceanic modes, and it arises for large values of the meridional gradient of radiative input and of frictional coupling. Chaotic behavior develops around this orbit as it loses its stability; this behavior is still dominated by the LFV on decadal and multi-decadal time scales that is typical of oceanic processes. Atmospheric diagnostics also reveals the presence of predominant low- and high-pressure zones, as well as of a su...

  6. Adjoint of the global Eulerian-Lagrangian coupled atmospheric transport model (A-GELCA v1.0): development and validation

    Science.gov (United States)

    Belikov, Dmitry A.; Maksyutov, Shamil; Yaremchuk, Alexey; Ganshin, Alexander; Kaminski, Thomas; Blessing, Simon; Sasakawa, Motoki; Gomez-Pelaez, Angel J.; Starchenko, Alexander

    2016-02-01

    We present the development of the Adjoint of the Global Eulerian-Lagrangian Coupled Atmospheric (A-GELCA) model that consists of the National Institute for Environmental Studies (NIES) model as an Eulerian three-dimensional transport model (TM), and FLEXPART (FLEXible PARTicle dispersion model) as the Lagrangian Particle Dispersion Model (LPDM). The forward tangent linear and adjoint components of the Eulerian model were constructed directly from the original NIES TM code using an automatic differentiation tool known as TAF (Transformation of Algorithms in Fortran; http://www.FastOpt.com, with additional manual pre- and post-processing aimed at improving transparency and clarity of the code and optimizing the performance of the computing, including MPI (Message Passing Interface). The Lagrangian component did not require any code modification, as LPDMs are self-adjoint and track a significant number of particles backward in time in order to calculate the sensitivity of the observations to the neighboring emission areas. The constructed Eulerian adjoint was coupled with the Lagrangian component at a time boundary in the global domain. The simulations presented in this work were performed using the A-GELCA model in forward and adjoint modes. The forward simulation shows that the coupled model improves reproduction of the seasonal cycle and short-term variability of CO2. Mean bias and standard deviation for five of the six Siberian sites considered decrease roughly by 1 ppm when using the coupled model. The adjoint of the Eulerian model was shown, through several numerical tests, to be very accurate (within machine epsilon with mismatch around to ±6 e-14) compared to direct forward sensitivity calculations. The developed adjoint of the coupled model combines the flux conservation and stability of an Eulerian discrete adjoint formulation with the flexibility, accuracy, and high resolution of a Lagrangian backward trajectory formulation. A-GELCA will be incorporated

  7. A Fully-Coupled, Fully-Implicit, Finite Element Model for Solving Multiphase Fluid Flow, Heat Transport and Rock Deformation in Enhanced Geothermal Systems

    Science.gov (United States)

    Lu, C.; Deng, S.; Podgorney, R. K.; Huang, H.

    2011-12-01

    Reliable reservoir performance predictions of enhanced geothermal reservoir systems require accurate and robust modeling for the coupled thermal-hydrological-mechanical processes. Conventionally, in order to reduce computational cost, these types of problems are solved using operator splitting method, usually by sequentially coupling a subsurface flow and heat transport simulator with a solid mechanics simulator via input files. However, such operator splitting approaches are applicable only to loosely coupled problems and usually converge slowly. As in most enhanced geothermal systems (EGS), fluid flow, heat transport, and rock deformation are typically strongly nonlinearly coupled, an alternative is to solve the system of nonlinear partial differential equations that govern the system simultaneously using a fully coupled solution procedure for fluid flow, heat transport, and solid mechanics. This procedure solves for all solution variables (fluid pressure, temperature and rock displacement fields) simultaneously, which leads to one large nonlinear algebraic system that needs to be solved by a strongly convergent nonlinear solver. Development over the past 10 years in the area of physics-based conditioning, strongly convergent nonlinear solvers (such as Jacobian Free Newton methods) and efficient linear solvers (such as GMRES, AMG), makes such an approach competitive. In this presentation, we will introduce a continuum-scaled parallel physics-based, fully coupled, modeling tool for predicting the dynamics of fracture initiation and propagation, fluid flow, rock deformation, and heat transport in a single integrated code named FALCON (Fracturing And Liquid-steam CONvection). FALCON is built upon a parallel computing framework developed at Idaho National Laboratory (INL) for solving coupled systems of nonlinear equations with finite element method with unstructured and adaptively refined/coarsened grids. Currently, FALCON contains poro- and thermal- elastic models

  8. Adjoint of the Global Eulerian–Lagrangian Coupled Atmospheric transport model (A-GELCA v1.0: development and validation

    Directory of Open Access Journals (Sweden)

    D. A. Belikov

    2015-07-01

    Full Text Available We present the development of the Adjoint of the Global Eulerian–Lagrangian Coupled Atmospheric (A-GELCA model that consists of the National Institute for Environmental Studies (NIES model as an Eulerian three-dimensional transport model (TM, and FLEXPART (FLEXible PARTicle dispersion model as the Lagrangian plume diffusion model (LPDM. The tangent and adjoint components of the Eulerian model were constructed directly from the original NIES TM code using an automatic differentiation tool known as TAF (Transformation of Algorithms in Fortran; http://www.FastOpt.com, with additional manual pre- and post-processing aimed at improving the performance of the computing, including MPI (Message Passing Interface. As results, the adjoint of Eulerian model is discrete. Construction of the adjoint of the Lagrangian component did not require any code modification, as LPDMs are able to track a significant number of particles back in time and thereby calculate the sensitivity of observations to the neighboring emissions areas. Eulerian and Lagrangian adjoint components were coupled at the time boundary in the global domain.The results are verified using a series of test experiments. The forward simulation shown the coupled model is effective in reproducing the seasonal cycle and short-term variability of CO2 even in the case of multiple limiting factors, such as high uncertainty of fluxes and the low resolution of the Eulerian model. The adjoint model demonstrates the high accuracy compared to direct forward sensitivity calculations and fast performance. The developed adjoint of the coupled model combines the flux conservation and stability of an Eulerian discrete adjoint formulation with the flexibility, accuracy, and high resolution of a Lagrangian backward trajectory formulation.

  9. Coupled transport processes in semipermeable media

    Energy Technology Data Exchange (ETDEWEB)

    Jacobsen, J.S.; Carnahan, C.L.

    1990-03-01

    The thermodynamics of irreversible processes leads to nonlinear governing equations for direct and coupled mass transport processes. Analytical solutions of linearized versions of these equations can be used to verify numerical solutions of the nonlinear equations under conditions such that nonlinear terms are relatively small. This report presents derivations of the analytical solutions for one-dimensional and axisymmetric geometries. 7 refs.

  10. An advanced scheme for wet scavenging and liquid-phase chemistry in a regional online-coupled chemistry transport model

    Directory of Open Access Journals (Sweden)

    C. Knote

    2012-10-01

    Full Text Available Clouds are reaction chambers for atmospheric trace gases and aerosols, and the associated precipitation is a major sink for atmospheric constituents. The regional chemistry-climate model COSMO-ART has been lacking a description of wet scavenging of gases and aqueous-phase chemistry. In this work we present a coupling of COSMO-ART with a wet scavenging and aqueous-phase chemistry scheme. The coupling is made consistent with the cloud microphysics scheme of the underlying meteorological model COSMO. While the choice of the aqueous-chemistry mechanism is flexible, the effects of a simple sulfur oxidation scheme are shown in the application of the coupled system in this work. We give details explaining the coupling and extensions made, then present results from idealized flow-over-hill experiments in a 2-D model setup and finally results from a full 3-D simulation. Comparison against measurement data shows that the scheme efficiently reduces SO2 trace gas concentrations by 0.3 ppbv (−30% on average, while leaving O3 and NOx unchanged. PM10 aerosol mass, which has been overestimated previously, is now in much better agreement with measured values due to a stronger scavenging of coarse particles. While total PM2.5 changes only little, chemical composition is improved notably. Overestimations of nitrate aerosols are reduced by typically 0.5–1 μg m−3 (up to −2 μg m−3 in the Po Valley while sulfate mass is increased by 1–1.5 μg m−3 on average (up to 2.5 μg m−3 in Eastern Europe. The effect of cloud processing of aerosols on its size distribution, i. e. a shift towards larger diameters, is observed. Compared against wet deposition measurements the system underestimates the total wet deposited mass for the simulated case study. We find that while evaporation of cloud droplets dominates in higher altitudes, evaporation of precipitation can

  11. An advanced scheme for wet scavenging and liquid-phase chemistry in a regional online-coupled chemistry transport model

    Science.gov (United States)

    Knote, C.; Brunner, D.

    2012-10-01

    Clouds are reaction chambers for atmospheric trace gases and aerosols, and the associated precipitation is a major sink for atmospheric constituents. The regional chemistry-climate model COSMO-ART has been lacking a description of wet scavenging of gases and aqueous-phase chemistry. In this work we present a coupling of COSMO-ART with a wet scavenging and aqueous-phase chemistry scheme. The coupling is made consistent with the cloud microphysics scheme of the underlying meteorological model COSMO. While the choice of the aqueous-chemistry mechanism is flexible, the effects of a simple sulfur oxidation scheme are shown in the application of the coupled system in this work. We give details explaining the coupling and extensions made, then present results from idealized flow-over-hill experiments in a 2-D model setup and finally results from a full 3-D simulation. Comparison against measurement data shows that the scheme efficiently reduces SO2 trace gas concentrations by 0.3 ppbv (-30%) on average, while leaving O3 and NOx unchanged. PM10 aerosol mass, which has been overestimated previously, is now in much better agreement with measured values due to a stronger scavenging of coarse particles. While total PM2.5 changes only little, chemical composition is improved notably. Overestimations of nitrate aerosols are reduced by typically 0.5-1 μg m-3 (up to -2 μg m-3 in the Po Valley) while sulfate mass is increased by 1-1.5 μg m-3 on average (up to 2.5 μg m-3 in Eastern Europe). The effect of cloud processing of aerosols on its size distribution, i. e. a shift towards larger diameters, is observed. Compared against wet deposition measurements the system underestimates the total wet deposited mass for the simulated case study. We find that while evaporation of cloud droplets dominates in higher altitudes, evaporation of precipitation can contribute up to 50% of total evaporated mass near the surface.

  12. MATCH–SALSA – Multi-scale Atmospheric Transport and CHemistry model coupled to the SALSA aerosol microphysics model – Part 1: Model description and evaluation

    Directory of Open Access Journals (Sweden)

    C. Andersson

    2014-05-01

    Full Text Available We have implemented the sectional aerosol dynamics model SALSA in the European scale chemistry-transport model MATCH (Multi-scale Atmospheric Transport and Chemistry. The new model is called MATCH–SALSA. It includes aerosol microphysics, with several formulations for nucleation, wet scavenging and condensation. The model reproduces observed higher particle number concentration (PNC in central Europe and lower concentrations in remote regions. The model PNC size distribution peak occurs at the same or smaller particle size as the observed peak at five measurement sites spread across Europe. Total PNC is underestimated at Northern and Central European sites and accumulation mode PNC is underestimated at all investigated sites. On the other hand the model performs well for particle mass, including secondary inorganic aerosol components. Elemental and organic carbon concentrations are underestimated at many of the sites. Further development is needed, primarily for treatment of secondary organic aerosol, both in terms of biogenic emissions and chemical transformation, and for nitrogen gas-particle partitioning. Updating the biogenic SOA scheme will likely have a large impact on modeled PM2.5 and also affect the model performance for PNC through impacts on nucleation and condensation. An improved nitrogen partitioning model may also improve the description of condensational growth.

  13. Coupling the 3D hydro-morphodynamic model Telemac-3D-sisyphe and seismic measurements to estimate bedload transport rates in a small gravel-bed river.

    Science.gov (United States)

    Hostache, Renaud; Krein, Andreas; Barrière, Julien

    2014-05-01

    Coupling the 3D hydro-morphodynamic model Telemac-3D-sisyphe and seismic measurements to estimate bedload transport rates in a small gravel-bed river. Renaud Hostache, Andreas Krein, Julien Barrière During flood events, amounts of river bed material are transported via bedload. This causes problems, like the silting of reservoirs or the disturbance of biological habitats. Some current bedload measuring techniques have limited possibilities for studies in high temporal resolutions. Optical systems are usually not applicable because of high turbidity due to concentrated suspended sediment transported. Sediment traps or bedload samplers yield only summative information on bedload transport with low temporal resolution. An alternative bedload measuring technique is the use of seismological systems installed next to the rivers. The potential advantages are observations in real time and under undisturbed conditions. The study area is a 120 m long reach of River Colpach (21.5 km2), a small gravel bed river in Northern Luxembourg. A combined approach of hydro-climatological observations, hydraulic measurements, sediment sampling, and seismological measurements is used in order to investigate bedload transport phenomena. Information derived from seismic measurements and results from a 3-dimensional hydro-morphodynamic model are exemplarily discussed for a November 2013 flood event. The 3-dimensional hydro-morphodynamic model is based on the Telemac hydroinformatic system. This allows for dynamically coupling a 3D hydrodynamic model (Telemac-3D) and a morphodynamic model (Sisyphe). The coupling is dynamic as these models exchange their information during simulations. This is a main advantage as it allows for taking into account the effects of the morphologic changes of the riverbed on the water hydrodynamic and the bedload processes. The coupled model has been calibrated using time series of gauged water depths and time series of bed material collected sequentially (after

  14. Implementation of the vortex force formalism in the coupled ocean-atmosphere-wave-sediment transport (COAWST) modeling system for inner shelf and surf zone applications

    Science.gov (United States)

    Kumar, Nirnimesh; Voulgaris, George; Warner, John C.; Olabarrieta, Maitane

    2012-01-01

    The coupled ocean-atmosphere-wave-sediment transport modeling system (COAWST) enables simulations that integrate oceanic, atmospheric, wave and morphological processes in the coastal ocean. Within the modeling system, the three-dimensional ocean circulation module (ROMS) is coupled with the wave generation and propagation model (SWAN) to allow full integration of the effect of waves on circulation and vice versa. The existing wave-current coupling component utilizes a depth dependent radiation stress approach. In here we present a new approach that uses the vortex force formalism. The formulation adopted and the various parameterizations used in the model as well as their numerical implementation are presented in detail. The performance of the new system is examined through the presentation of four test cases. These include obliquely incident waves on a synthetic planar beach and a natural barred beach (DUCK' 94); normal incident waves on a nearshore barred morphology with rip channels; and wave-induced mean flows outside the surf zone at the Martha's Vineyard Coastal Observatory (MVCO).

  15. Concord and Niagara Grape Juice and Their Phenolics Modify Intestinal Glucose Transport in a Coupled in Vitro Digestion/Caco-2 Human Intestinal Model

    Science.gov (United States)

    Moser, Sydney; Lim, Jongbin; Chegeni, Mohammad; Wightman, JoLynne D.; Hamaker, Bruce R.; Ferruzzi, Mario G.

    2016-01-01

    While the potential of dietary phenolics to mitigate glycemic response has been proposed, the translation of these effects to phenolic rich foods such as 100% grape juice (GJ) remains unclear. Initial in vitro screening of GJ phenolic extracts from American grape varieties (V. labrusca; Niagara and Concord) suggested limited inhibitory capacity for amylase and α-glucosidase (6.2%–11.5% inhibition; p < 0.05). Separately, all GJ extracts (10–100 µM total phenolics) did reduce intestinal trans-epithelial transport of deuterated glucose (d7-glu) and fructose (d7-fru) by Caco-2 monolayers in a dose-dependent fashion, with 60 min d7-glu/d7-fru transport reduced 10%–38% by GJ extracts compared to control. To expand on these findings by assessing the ability of 100% GJ to modify starch digestion and glucose transport from a model starch-rich meal, 100% Niagara and Concord GJ samples were combined with a starch rich model meal (1:1 and 1:2 wt:wt) and glucose release and transport were assessed in a coupled in vitro digestion/Caco-2 cell model. Digestive release of glucose from the starch model meal was decreased when digested in the presence of GJs (5.9%–15% relative to sugar matched control). Furthermore, transport of d7-glu was reduced 10%–38% by digesta containing bioaccessible phenolics from Concord and Niagara GJ compared to control. These data suggest that phenolics present in 100% GJ may alter absorption of monosaccharides naturally present in 100% GJ and may potentially alter glycemic response if consumed with a starch rich meal. PMID:27399765

  16. Concord and Niagara Grape Juice and Their Phenolics Modify Intestinal Glucose Transport in a Coupled in Vitro Digestion/Caco-2 Human Intestinal Model.

    Science.gov (United States)

    Moser, Sydney; Lim, Jongbin; Chegeni, Mohammad; Wightman, JoLynne D; Hamaker, Bruce R; Ferruzzi, Mario G

    2016-07-05

    While the potential of dietary phenolics to mitigate glycemic response has been proposed, the translation of these effects to phenolic rich foods such as 100% grape juice (GJ) remains unclear. Initial in vitro screening of GJ phenolic extracts from American grape varieties (V. labrusca; Niagara and Concord) suggested limited inhibitory capacity for amylase and α-glucosidase (6.2%-11.5% inhibition; p GJ extracts (10-100 µM total phenolics) did reduce intestinal trans-epithelial transport of deuterated glucose (d7-glu) and fructose (d7-fru) by Caco-2 monolayers in a dose-dependent fashion, with 60 min d7-glu/d7-fru transport reduced 10%-38% by GJ extracts compared to control. To expand on these findings by assessing the ability of 100% GJ to modify starch digestion and glucose transport from a model starch-rich meal, 100% Niagara and Concord GJ samples were combined with a starch rich model meal (1:1 and 1:2 wt:wt) and glucose release and transport were assessed in a coupled in vitro digestion/Caco-2 cell model. Digestive release of glucose from the starch model meal was decreased when digested in the presence of GJs (5.9%-15% relative to sugar matched control). Furthermore, transport of d7-glu was reduced 10%-38% by digesta containing bioaccessible phenolics from Concord and Niagara GJ compared to control. These data suggest that phenolics present in 100% GJ may alter absorption of monosaccharides naturally present in 100% GJ and may potentially alter glycemic response if consumed with a starch rich meal.

  17. Coupling between reactions and transport for the modelling and simulation of CO{sub 2} geological storage; Couplage reactions-transport pour la modelisation et la simulation du stockage geologique de CO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Tillier, E

    2007-09-15

    In this work, we present some results about the coupling between transport and geochemistry for the modelling and the simulation of CO{sub 2} geological storage. We present a multiphase flow model and a geochemical model which enables to describe a coupled reactive multiphase flow problem. We then propose two methods of resolution, the first one is a global method, the other one is a splitting method which is used at the IFP in the software COORES. The splitting is based on physical assumptions. The coupling method used is a non iterative method, in which the splitting error is corrected by adding a penalization term. A convergence study shows that this scheme converges to the same solution as the global scheme. A part of this PhD is dedicated to diffusion and dispersion phenomena. We are interested in this term because it cannot be integrated easily in a splitting scheme, if the reactive transport is solved locally (which is necessary to use local time-step). After having highlighted the importance of this term on a representative test case, we show some difficulties encountered to integrate it in a splitting scheme. Finally, we study a miscible multiphase flow problem in 1D from a mathematical point of view. The difficulties arise with the non linearity due to the non zero gas solubility in water. We propose a definition for the weak solution of this problem and its existence is shown thanks to the convergence of a finite volume scheme. (O.M.)

  18. Mechanics of the foot Part 2: A coupled solid-fluid model to investigate blood transport in the pathologic foot.

    Science.gov (United States)

    Mithraratne, K; Ho, H; Hunter, P J; Fernandez, J W

    2012-10-01

    A coupled computational model of the foot consisting of a three-dimensional soft tissue continuum and a one-dimensional (1D) transient blood flow network is presented in this article. The primary aim of the model is to investigate the blood flow in major arteries of the pathologic foot where the soft tissue stiffening occurs. It has been reported in the literature that there could be up to about five-fold increase in the mechanical stiffness of the plantar soft tissues in pathologic (e.g. diabetic) feet compared with healthy ones. The increased stiffness results in higher tissue hydrostatic pressure within the plantar area of the foot when loaded. The hydrostatic pressure acts on the external surface of blood vessels and tend to reduce the flow cross-section area and hence the blood supply. The soft tissue continuum model of the foot was modelled as a tricubic Hermite finite element mesh representing all the muscles, skin and fat of the foot and treated as incompressible with transversely isotropic properties. The details of the mechanical model of soft tissue are presented in the companion paper, Part 1. The deformed state of the soft tissue continuum because of the applied ground reaction force at three foot positions (heel-strike, midstance and toe-off) was obtained by solving the Cauchy equations based on the theory of finite elasticity using the Galerkin finite element method. The geometry of the main arterial network in the foot was represented using a 1D Hermite cubic finite element mesh. The flow model consists of 1D Navier-Stokes equations and a nonlinear constitutive equation to describe vessel radius-transmural pressure relation. The latter was defined as the difference between the fluid and soft tissue hydrostatic pressure. Transient flow governing equations were numerically solved using the two-step Lax-Wendroff finite difference method. The geometry of both the soft tissue continuum and arterial network is anatomically-based and was developed using

  19. Multiscale modeling of nanostructured ZnO based devices for optoelectronic applications: Dynamically-coupled structural fields, charge, and thermal transport processes

    Science.gov (United States)

    Abdullah, Abdulmuin; Alqahtani, Saad; Nishat, Md Rezaul Karim; Ahmed, Shaikh; SIU Nanoelectronics Research Group Team

    Recently, hybrid ZnO nanostructures (such as ZnO deposited on ZnO-alloys, Si, GaN, polymer, conducting oxides, and organic compounds) have attracted much attention for their possible applications in optoelectronic devices (such as solar cells, light emitting and laser diodes), as well as in spintronics (such as spin-based memory, and logic). However, efficiency and performance of these hybrid ZnO devices strongly depend on an intricate interplay of complex, nonlinear, highly stochastic and dynamically-coupled structural fields, charge, and thermal transport processes at different length and time scales, which have not yet been fully assessed experimentally. In this work, we study the effects of these coupled processes on the electronic and optical emission properties in nanostructured ZnO devices. The multiscale computational framework employs the atomistic valence force-field molecular mechanics, models for linear and non-linear polarization, the 8-band sp3s* tight-binding models, and coupling to a TCAD toolkit to determine the terminal properties of the device. A series of numerical experiments are performed (by varying different nanoscale parameters such as size, geometry, crystal cut, composition, and electrostatics) that mainly aim to improve the efficiency of these devices. Supported by the U.S. National Science Foundation Grant No. 1102192.

  20. Modelling coupled chemico-osmotic and advective-diffusive transport of nitrate salts in the Callovo-Oxfordian Clay

    Science.gov (United States)

    Baechler, S.; Croisé, J.; Altmann, S.

    2012-12-01

    Chemico-osmosis is a recognized phenomenon taking place in clay mineral-rich sedimentary formations and a number of questions have been raised concerning its potential effects on pressure fields in and around underground radioactive waste repositories installed in such formations. Certain radioactive waste packages contain large quantities of nitrate salts whose release might result in the presence of highly concentrated salt solutions in the disposal cells, during their resaturation after closure of the facility. This would lead to large solute concentration gradients within the formation's porewater which could then potentially induce significant chemico-osmotic fluxes. In this paper, we assess the impact of chemico-osmotic fluxes on the water pressure during the post-closure period of a typical disposal cell for intermediate-level, long-lived bituminised radioactive waste in the Callovo-Oxfordian Clay formation. A numerical model of chemico-osmotic water flow and solute transport has been developed based on the work of Bader and Kooi (2005) [5], and including Bresler's dependence of osmotic efficiency on concentration and compaction state [9]. Model validity has been extended to highly concentrated solutions by incorporating a concentration-dependent activity coefficient, based on the Pitzer's equations. Results show that due to the strong dependence of the osmotic coefficient on concentration, the impact of chemico-osmosis on water flow and on the pressure field around the disposal cell is relatively low. A maximum overpressure of the order of 1 MPa was obtained. No difference in the simulation results were noticed for disposal cell solutions having concentrations higher than 1 M NaNO3. Differences between simulations were found to be almost entirely due to Bresler's relationship i.e., the model of the dependence between osmotic efficiency and concentration, and only slightly on the activity coefficient correction. Questions remain regarding the appropriate

  1. Numerical simulation of in-situ chemical oxidation (ISCO) and biodegradation of petroleum hydrocarbons using a coupled model for bio-geochemical reactive transport

    Science.gov (United States)

    Marin, I. S.; Molson, J. W.

    2013-05-01

    Petroleum hydrocarbons (PHCs) are a major source of groundwater contamination, being a worldwide and well-known problem. Formed by a complex mixture of hundreds of organic compounds (including BTEX - benzene, toluene, ethylbenzene and xylenes), many of which are toxic and persistent in the subsurface and are capable of creating a serious risk to human health. Several remediation technologies can be used to clean-up PHC contamination. In-situ chemical oxidation (ISCO) and intrinsic bioremediation (IBR) are two promising techniques that can be applied in this case. However, the interaction of these processes with the background aquifer geochemistry and the design of an efficient treatment presents a challenge. Here we show the development and application of BIONAPL/Phreeqc, a modeling tool capable of simulating groundwater flow, contaminant transport with coupled biological and geochemical processes in porous or fractured porous media. BIONAPL/Phreeqc is based on the well-tested BIONAPL/3D model, using a powerful finite element simulation engine, capable of simulating non-aqueous phase liquid (NAPL) dissolution, density-dependent advective-dispersive transport, and solving the geochemical and kinetic processes with the library Phreeqc. To validate the model, we compared BIONAPL/Phreeqc with results from the literature for different biodegradation processes and different geometries, with good agreement. We then used the model to simulate the behavior of sodium persulfate (NaS2O8) as an oxidant for BTEX degradation, coupled with sequential biodegradation in a 2D case and to evaluate the effect of inorganic geochemistry reactions. The results show the advantages of a treatment train remediation scheme based on ISCO and IBR. The numerical performance and stability of the integrated BIONAPL/Phreeqc model was also verified.

  2. Mechanisms controlling surface ozone over East Asia: a multiscale study coupling regional and global chemical transport models

    Science.gov (United States)

    Lin, M.; Holloway, T.; Oki, T.; Streets, D. G.; Richter, A.

    2008-12-01

    Mechanisms controlling surface ozone (O3) over East Asia are examined using the regional Community Multiscale Air Quality (CMAQ) model at two horizontal scales: 81 km and 27 km. Through sensitivity studies and comparison with recently available satellite data and surface measurements in China and Japan, we find that the O3 budget over East Asia shows complex interactions among photochemical production, regional transport, meteorological conditions, burning of agricultural residues, and global inflows. For example, wintertime surface O3 over northern domain is sensitive to boundary conditions derived from the MOZART (Model for Ozone and Related Tracers) global model, whereas summertime O3 budget is controlled by the competitive processes between photochemical production and monsoonal intrusion of low-O3 marine air masses from tropical Pacific. We find that simulated surface O3 for 2001 does not exhibit the same sharp drop in July and August concentrations that is observed at two mountaintop sites (Tai and Hua) for 2004 and Beijing for 1995-2005. CMAQ sensitivity tests with two widely used photochemical schemes demonstrate that over the industrial areas in East Asia north of 30° N, SAPRC99 produces higher values of mean summertime O3 than CBIV, amounting to a difference of 10 ppb. In addition, analysis of NCEP winds and geopotential heights suggests that southwesterly monsoonal intrusion in central east China is weakened in August 2001 as compared with the climatologically mean for 1980-2005. Further examination of the O3 diurnal cycle at nine Japanese sites shows that boundary layer evolution has an important effect on the vertical mixing of ground-level O3, and error in near surface meteorology might contribute to overprediction of nighttime O3 in urban and rural areas. In conclusion, the uncertainties in simulating cloud activities and convection mixing, Asian monsoon circulation, photochemical production, and nighttime cooling explain why CMAQ with 81 km

  3. Mechanisms controlling surface ozone over East Asia: a multiscale study coupling regional and global chemical transport models

    Directory of Open Access Journals (Sweden)

    M. Lin

    2008-12-01

    Full Text Available Mechanisms controlling surface ozone (O3 over East Asia are examined using the regional Community Multiscale Air Quality (CMAQ model at two horizontal scales: 81 km and 27 km. Through sensitivity studies and comparison with recently available satellite data and surface measurements in China and Japan, we find that the O3 budget over East Asia shows complex interactions among photochemical production, regional transport, meteorological conditions, burning of agricultural residues, and global inflows. For example, wintertime surface O3 over northern domain is sensitive to boundary conditions derived from the MOZART (Model for Ozone and Related Tracers global model, whereas summertime O3 budget is controlled by the competitive processes between photochemical production and monsoonal intrusion of low-O3 marine air masses from tropical Pacific. We find that simulated surface O3 for 2001 does not exhibit the same sharp drop in July and August concentrations that is observed at two mountaintop sites (Tai and Hua for 2004 and Beijing for 1995–2005. CMAQ sensitivity tests with two widely used photochemical schemes demonstrate that over the industrial areas in East Asia north of 30° N, SAPRC99 produces higher values of mean summertime O3 than CBIV, amounting to a difference of 10 ppb. In addition, analysis of NCEP winds and geopotential heights suggests that southwesterly monsoonal intrusion in central east China is weakened in August 2001 as compared with the climatologically mean for 1980–2005. Further examination of the O3 diurnal cycle at nine Japanese sites shows that boundary layer evolution has an important effect on the vertical mixing of ground-level O3, and error in near surface meteorology might contribute to overprediction of nighttime O3 in urban and rural areas. In conclusion, the uncertainties in simulating cloud activities and

  4. UZ Colloid Transport Model

    Energy Technology Data Exchange (ETDEWEB)

    M. McGraw

    2000-04-13

    The UZ Colloid Transport model development plan states that the objective of this Analysis/Model Report (AMR) is to document the development of a model for simulating unsaturated colloid transport. This objective includes the following: (1) use of a process level model to evaluate the potential mechanisms for colloid transport at Yucca Mountain; (2) Provide ranges of parameters for significant colloid transport processes to Performance Assessment (PA) for the unsaturated zone (UZ); (3) Provide a basis for development of an abstracted model for use in PA calculations.

  5. Implementation of Fully Coupled Heat and Mass Transport Model to Determine Temperature and Moisture State at Elevated Temperatures

    DEFF Research Database (Denmark)

    Pecenko, R.; Hozjan, Tomaz; Svensson, Staffan

    2014-01-01

    The aim of this study is to present precise numerical formulation to determine temperature and moisture state of timber in the situation prior pyrolysis. The strong formulations needed for an accurate description of the physics are presented and discussed as well as their coupling terms. From the...

  6. Implementation of fully coupled heat and mass transport model to determine the behaviour of timber elements in fire

    DEFF Research Database (Denmark)

    Pečenko, Robert; Huč, Sabina; Turk, Goran

    2014-01-01

    In this paper we present results of numerical analysis of timber beam exposed to fire. The numerical procedure is divided into two physically separated but closely related phases. In the first phase coupled problem of moisture and heat transfer over the timber beam is numerically solved using the...

  7. A chemistry-transport model simulation of middle atmospheric ozone from 1980 to 2019 using coupled chemistry GCM winds and temperatures

    Science.gov (United States)

    Damski, J.; Thölix, L.; Backman, L.; Kaurola, J.; Taalas, P.; Austin, J.; Butchart, N.; Kulmala, M.

    2007-05-01

    A global 40-year simulation from 1980 to 2019 was performed with the FinROSE chemistry-transport model based on the use of coupled chemistry GCM-data. The main focus of our analysis is on climatological-scale processes in high latitudes. The resulting trend estimates for the past period (1980-1999) agree well with observation-based trend estimates. The results for the future period (2000-2019) suggest that the extent of seasonal ozone depletion over both northern and southern high-latitudes has likely reached its maximum. Furthermore, while climate change is expected to cool the stratosphere, this cooling is unlikely to accelerate significantly high latitude ozone depletion. However, the recovery of seasonal high latitude ozone losses will not take place during the next 15 years.

  8. Modeling the impact of climate change on sediment transport and morphology in coupled watershed-coast systems:A case study using an integrated approach

    Institute of Scientific and Technical Information of China (English)

    Achilleas GSAMARAS; Christopher GKOUTITAS

    2014-01-01

    Climate change is an issue of major concern nowadays. Its impact on the natural and human environment is studied intensively, as the expected shift in climate will be significant in the next few decades. Recent experience shows that the effects will be critical in coastal areas, resulting in erosion and inundation phenomena worldwide. In addition to that, coastal areas are subject to"pressures"from upstream watersheds in terms of water quality and sediment transport. The present paper studies the impact of climate change on sediment transport and morphology in the aforementioned coupled system. The study regards a sandy coast and its upstream watershed in Chalkidiki, North Greece; it is based on: (a) an integrated approach for the quantitative correlation of the two through numerical modeling, developed by the authors, and (b) a calibrated application of the relevant models Soil and Water Assessment Tool (SWAT) and PELNCON-M, applied to the watershed and the coastal zone, respectively. The examined climate change scenarios focus on a shift of the rainfall distribution towards fewer and more extreme rainfall events, and an increased frequency of occurrence of extreme wave events. Results indicate the significance of climatic pressures in wide-scale sediment dynamics, and are deemed to provide a useful perspective for researchers and policy planners involved in the study of coastal morphology evolution in a changing climate.

  9. Coupled transport processes in semipermeable media

    Energy Technology Data Exchange (ETDEWEB)

    Carnahan, C.L.; Jacobsen, J.S.

    1990-04-01

    The thermodynamics of irreversible processes (TTIP) is used to derive governing equations and phenomenological equations for transport processes and chemical reactions in water-saturated semipermeable media. TTIP is based on three fundamental postulates. The first postulate, the assumption of local equilibrium, allows the formulation of balance equations for entropy. These equations are the bases for the derivation of governing equations for the thermodynamic variables, temperature, pressure, and composition. The governing equations involve vector fluxes of heat and mass and scalar rates of chemical reactions; in accordance with the second postulate of TTIP, these fluxes and rates are related, respectively, to all scalar driving forces (gradients of thermodynamic variables) acting within the system. The third postulate of TTIP states equality (the Onsager reciprocal relations) between certain of the phenomenological coefficients relating forces and fluxes. The description by TTIP of a system undergoing irreversible processes allows consideration of coupled transport processes such as thermal osmosis, chemical osmosis, and ultrafiltration. The coupled processes can make significant contributions to flows of mass and energy in slightly permeable, permselective geological materials such as clays and shales.

  10. Testing of a reactive transport processes module for a coupled (groundwater/surface water) physically based model on a vegetative buffer strip (Beaujolais, France).

    Science.gov (United States)

    Gatel, L.; Lauvernet, C.; Carluer, N.; Paniconi, C.

    2016-12-01

    In the context of the European Water Framework Directive (WFD, 2000/60/EC), which aims to achieve a good ecological and chemical status for all natural aquatic environments, tools to help understand and quantify pesticide transfers in agricultural watersheds are necessary. Models which are physically based and spatially distributed can be particularly useful for representing in detail processes and interactions between the soil surface and subsurface and thus to evaluate the management of landscape elements remediation. The present study aims to test and validate a recently added reactive transport to the coupled surface water/groundwater model CATHY, in order to represent pesticide transfers. Contaminant reactions implemented in CATHY for this study are linear adsorption and degradation (first order kinetics). The advection part of the model is solved according to the finite volume method and reactions are computed on volumes using a sequential non-iterative approach. The CATHY model has been tested on laboratory data and with a Morris sensitivity analysis and is applied now in real field conditions, on a vegetative buffer strip monitored by Irstea in a vineyard catchment (Beaujolais, France). The site is instrumented with lysimeters, flow and solute concentration measurement devices. This test represents a complex step into the model validation, initial and boundary conditions are not fully controlled, and field parameters measurement are not fully known.

  11. ACCELERATING FUSION REACTOR NEUTRONICS MODELING BY AUTOMATIC COUPLING OF HYBRID MONTE CARLO/DETERMINISTIC TRANSPORT ON CAD GEOMETRY

    Energy Technology Data Exchange (ETDEWEB)

    Biondo, Elliott D [ORNL; Ibrahim, Ahmad M [ORNL; Mosher, Scott W [ORNL; Grove, Robert E [ORNL

    2015-01-01

    Detailed radiation transport calculations are necessary for many aspects of the design of fusion energy systems (FES) such as ensuring occupational safety, assessing the activation of system components for waste disposal, and maintaining cryogenic temperatures within superconducting magnets. Hybrid Monte Carlo (MC)/deterministic techniques are necessary for this analysis because FES are large, heavily shielded, and contain streaming paths that can only be resolved with MC. The tremendous complexity of FES necessitates the use of CAD geometry for design and analysis. Previous ITER analysis has required the translation of CAD geometry to MCNP5 form in order to use the AutomateD VAriaNce reducTion Generator (ADVANTG) for hybrid MC/deterministic transport. In this work, ADVANTG was modified to support CAD geometry, allowing hybrid (MC)/deterministic transport to be done automatically and eliminating the need for this translation step. This was done by adding a new ray tracing routine to ADVANTG for CAD geometries using the Direct Accelerated Geometry Monte Carlo (DAGMC) software library. This new capability is demonstrated with a prompt dose rate calculation for an ITER computational benchmark problem using both the Consistent Adjoint Driven Importance Sampling (CADIS) method an the Forward Weighted (FW)-CADIS method. The variance reduction parameters produced by ADVANTG are shown to be the same using CAD geometry and standard MCNP5 geometry. Significant speedups were observed for both neutrons (as high as a factor of 7.1) and photons (as high as a factor of 59.6).

  12. Inertial effect on spin–orbit coupling and spin transport

    Energy Technology Data Exchange (ETDEWEB)

    Basu, B., E-mail: sribbasu@gmail.com; Chowdhury, Debashree, E-mail: debashreephys@gmail.com

    2013-08-15

    We theoretically study the renormalization of inertial effects on the spin dependent transport of conduction electrons in a semiconductor by taking into account the interband mixing on the basis of k{sup →}⋅p{sup →} perturbation theory. In our analysis, for the generation of spin current we have used the extended Drude model where the spin–orbit coupling plays an important role. We predict enhancement of the spin current resulting from the renormalized spin–orbit coupling effective in our model in cubic and non-cubic crystals. Attention has been paid to clarify the importance of gauge fields in the spin transport of this inertial system. A theoretical proposition of a perfect spin filter has been done through the Aharonov–Casher like phase corresponding to this inertial system. For a time dependent acceleration, effect of k{sup →}⋅p{sup →} perturbation on the spin current and spin polarization has also been addressed. Furthermore, achievement of a tunable source of polarized spin current through the non uniformity of the inertial spin–orbit coupling strength has also been discussed. -- Highlights: •Study of the renormalization of inertial spin dependent transport of electrons. •Enhancement of the spin current due to the renormalized spin–orbit coupling. •A theoretical proposition of a perfect spin filter. •For a time dependent acceleration, spin current, spin polarization is addressed.

  13. Coupled One and Two Dimensional Model for River Network Flow and Sediment Transport%一二维耦合河网水沙模型研究

    Institute of Scientific and Technical Information of China (English)

    吕文丽; 张旭

    2011-01-01

    Based on previous research, a new one and two-dimensional coupled model of river water and sediment was proposed.With reference to the three-level solution for one-dimensional river network water mode, the two-dimensional river section will be generalized to river section within the river network.One and two dimensional coupled river network sediment model will be established with the balance of flow amount and sediment transport.The model sets up the chasing relationship between variables of water level and sediment content at the end and first section to further establish matrix equations of the whole one and two-dimensional river network node water level and sediment content.Though the verification and calculation for generalized river network from Datong to Zhenjiang in the lower reaches of the Yangtze River, it is found that the model is of great practical value.%借鉴河网水流的三级解法,将二维河段概化为河网内部河段,通过河网节点流量和输沙量的平衡,建立一二维耦合河网水沙模型.模型采用全隐式方法建立二维河段以首末断面的水位和含沙量为中间变量的矩阵追赶关系,进而建立整个一二维河网的节点水位及含沙量的矩阵方程组.对方程组的求解,可实现一二维水沙模型的耦合求解.通过对长江下游大通至镇江概化河网的验证计算,表明模型具有很好的实用价值.

  14. Impact of urban effluents on summer hypoxia in the highly turbid Gironde Estuary, applying a 3D model coupling hydrodynamics, sediment transport and biogeochemical processes

    Science.gov (United States)

    Lajaunie-Salla, Katixa; Wild-Allen, Karen; Sottolichio, Aldo; Thouvenin, Bénédicte; Litrico, Xavier; Abril, Gwenaël

    2017-10-01

    Estuaries are increasingly degraded due to coastal urban development and are prone to hypoxia problems. The macro-tidal Gironde Estuary is characterized by a highly concentrated turbidity maximum zone (TMZ). Field observations show that hypoxia occurs in summer in the TMZ at low river flow and a few days after the spring tide peak. In situ data highlight lower dissolved oxygen (DO) concentrations around the city of Bordeaux, located in the upper estuary. Interactions between multiple factors limit the understanding of the processes controlling the dynamics of hypoxia. A 3D biogeochemical model was developed, coupled with hydrodynamics and a sediment transport model, to assess the contribution of the TMZ and the impact of urban effluents through wastewater treatment plants (WWTPs) and sewage overflows (SOs) on hypoxia. Our model describes the transport of solutes and suspended material and the biogeochemical mechanisms impacting oxygen: primary production, degradation of all organic matter (i.e. including phytoplankton respiration, degradation of river and urban watershed matter), nitrification and gas exchange. The composition and the degradation rates of each variable were characterized by in situ measurements and experimental data from the study area. The DO model was validated against observations in Bordeaux City. The simulated DO concentrations show good agreement with field observations and satisfactorily reproduce the seasonal and neap-spring time scale variations around the city of Bordeaux. Simulations show a spatial and temporal correlation between the formation of summer hypoxia and the location of the TMZ, with minimum DO centered in the vicinity of Bordeaux. To understand the contribution of the urban watershed forcing, different simulations with the presence or absence of urban effluents were compared. Our results show that in summer, a reduction of POC from SO would increase the DO minimum in the vicinity of Bordeaux by 3% of saturation. Omitting

  15. COUPLED CHEMOTAXIS FLUID MODEL

    KAUST Repository

    LORZ, ALEXANDER

    2010-06-01

    We consider a model system for the collective behavior of oxygen-driven swimming bacteria in an aquatic fluid. In certain parameter regimes, such suspensions of bacteria feature large-scale convection patterns as a result of the hydrodynamic interaction between bacteria. The presented model consist of a parabolicparabolic chemotaxis system for the oxygen concentration and the bacteria density coupled to an incompressible Stokes equation for the fluid driven by a gravitational force of the heavier bacteria. We show local existence of weak solutions in a bounded domain in d, d = 2, 3 with no-flux boundary condition and in 2 in the case of inhomogeneous Dirichlet conditions for the oxygen. © 2010 World Scientific Publishing Company.

  16. Collective Transport of Coupled Brownian Motors with Low Randomness

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The transport properties of coupled Brownian motors in rocking ratchet are investigated via solving single particle have been found. In the regime of low-to-moderate D, the average velocity of elastically coupled Brownian with the increase of a single Brownian motor. The results exhibit an interesting cooperative behavior between coupled particles subjected to a rocking force, which can generate directed transport with low randomness or high transport coherence in symmetrical periodic potential.

  17. Transport zonation limits coupled nitrification-denitrification in permeable sediments

    DEFF Research Database (Denmark)

    Kessler, Adam John; Glud, R.N.; Cardenas, M.B.

    2013-01-01

    Measurement of biogeochemical processes in permeable sediments (including the hyporheic zone) is difficult because of complex multidimensional advective transport. This is especially the case for nitrogen cycling, which involves several coupled redox-sensitive reactions. To provide detailed insig......- and N-15-N-2 gas. The measured two-dimensional profiles correlate with computational model simulations, showing a deep pool of N-2 gas forming, and being advected to the surface below ripple peaks. Further isotope pairing calculations on these data indicate that coupled nitrification......-denitrification is severely limited in permeable sediments because the flow and transport field limits interaction between oxic and anoxic pore water. The approach allowed for new detailed insight into subsurface denitrification zones in complex permeable sediments....

  18. Ion sampling and transport in Inductively Coupled Plasma Mass Spectrometry

    Science.gov (United States)

    Farnsworth, Paul B.; Spencer, Ross L.

    2017-08-01

    Quantitative accuracy and high sensitivity in inductively coupled plasma mass spectrometry (ICP-MS) depend on consistent and efficient extraction and transport of analyte ions from an inductively coupled plasma to a mass analyzer, where they are sorted and detected. In this review we examine the fundamental physical processes that control ion sampling and transport in ICP-MS and compare the results of theory and computerized models with experimental efforts to characterize the flow of ions through plasma mass spectrometers' vacuum interfaces. We trace the flow of ions from their generation in the plasma, into the sampling cone, through the supersonic expansion in the first vacuum stage, through the skimmer, and into the ion optics that deliver the ions to the mass analyzer. At each stage we consider idealized behavior and departures from ideal behavior that affect the performance of ICP-MS as an analytical tool.

  19. Revised Ion/Substrate Coupling Stoichiometry of GABA Transporters.

    Science.gov (United States)

    Eskandari, Sepehr; Willford, Samantha L; Anderson, Cynthia M

    2017-01-01

    The purpose of this review is to highlight recent evidence in support of a 3 Na(+): 1 Cl(-): 1 GABA coupling stoichiometry for plasma membrane GABA transporters (SLC6A1 , SLC6A11 , SLC6A12 , SLC6A13 ) and how the revised stoichiometry impacts our understanding of the contribution of GABA transporters to GABA homeostasis in synaptic and extrasynaptic regions in the brain under physiological and pathophysiological states. Recently, our laboratory probed the GABA transporter stoichiometry by analyzing the results of six independent measurements, which included the shifts in the thermodynamic transporter reversal potential caused by changes in the extracellular Na(+), Cl(-), and GABA concentrations, as well as the ratio of charge flux to substrate flux for Na(+), Cl(-), and GABA under voltage-clamp conditions. The shifts in the transporter reversal potential for a tenfold change in the external concentration of Na(+), Cl(-), and GABA were 84 ± 4, 30 ± 1, and 29 ± 1 mV, respectively. Charge flux to substrate flux ratios were 0.7 ± 0.1 charges/Na(+), 2.0 ± 0.2 charges/Cl(-), and 2.1 ± 0.1 charges/GABA. We then compared these experimental results with the predictions of 150 different transporter stoichiometry models, which included 1-5 Na(+), 0-5 Cl(-), and 1-5 GABA per transport cycle. Only the 3 Na(+): 1 Cl(-): 1 GABA stoichiometry model correctly predicts the results of all six experimental measurements. Using the revised 3 Na(+): 1 Cl(-): 1 GABA stoichiometry, we propose that the GABA transporters mediate GABA uptake under most physiological conditions. Transporter-mediated GABA release likely takes place under pathophysiological or extreme physiological conditions.

  20. Coupled ATPase-adenylate kinase activity in ABC transporters

    Science.gov (United States)

    Kaur, Hundeep; Lakatos-Karoly, Andrea; Vogel, Ramona; Nöll, Anne; Tampé, Robert; Glaubitz, Clemens

    2016-01-01

    ATP-binding cassette (ABC) transporters, a superfamily of integral membrane proteins, catalyse the translocation of substrates across the cellular membrane by ATP hydrolysis. Here we demonstrate by nucleotide turnover and binding studies based on 31P solid-state NMR spectroscopy that the ABC exporter and lipid A flippase MsbA can couple ATP hydrolysis to an adenylate kinase activity, where ADP is converted into AMP and ATP. Single-point mutations reveal that both ATPase and adenylate kinase mechanisms are associated with the same conserved motifs of the nucleotide-binding domain. Based on these results, we propose a model for the coupled ATPase-adenylate kinase mechanism, involving the canonical and an additional nucleotide-binding site. We extend these findings to other prokaryotic ABC exporters, namely LmrA and TmrAB, suggesting that the coupled activities are a general feature of ABC exporters. PMID:28004795

  1. Vibrationally coupled electron transport through single-molecule junctions

    Energy Technology Data Exchange (ETDEWEB)

    Haertle, Rainer

    2012-04-26

    Single-molecule junctions are among the smallest electric circuits. They consist of a molecule that is bound to a left and a right electrode. With such a molecular nanocontact, the flow of electrical currents through a single molecule can be studied and controlled. Experiments on single-molecule junctions show that a single molecule carries electrical currents that can even be in the microampere regime. Thereby, a number of transport phenomena have been observed, such as, for example, diode- or transistor-like behavior, negative differential resistance and conductance switching. An objective of this field, which is commonly referred to as molecular electronics, is to relate these transport phenomena to the properties of the molecule in the contact. To this end, theoretical model calculations are employed, which facilitate an understanding of the underlying transport processes and mechanisms. Thereby, one has to take into account that molecules are flexible structures, which respond to a change of their charge state by a profound reorganization of their geometrical structure or may even dissociate. It is thus important to understand the interrelation between the vibrational degrees of freedom of a singlemolecule junction and the electrical current flowing through the contact. In this thesis, we investigate vibrational effects in electron transport through singlemolecule junctions. For these studies, we calculate and analyze transport characteristics of both generic and first-principles based model systems of a molecular contact. To this end, we employ a master equation and a nonequilibrium Green's function approach. Both methods are suitable to describe this nonequilibrium transport problem and treat the interactions of the tunneling electrons on the molecular bridge non-perturbatively. This is particularly important with respect to the vibrational degrees of freedom, which may strongly interact with the tunneling electrons. We show in detail that the resulting

  2. The magnitude and spatial range of current-use urban PCB and PBDE emissions estimated using a coupled multimedia and air transport model.

    Science.gov (United States)

    Csiszar, Susan A; Diamond, Miriam L; Daggupaty, Sreerama M

    2014-01-21

    SO-MUM, a coupled atmospheric transport and multimedia urban model, was used to estimate spatially resolved (5 × 5 km(2)) air emissions and chemical fate based on measured air concentrations and chemical mass inventories within Toronto, Canada. Approximately 95% and 70% of Σ5PCBs (CB-28, -52, -101, -153, and -180) and Σ5PBDEs (BDE-28, -47, -100, -154, and -183) emissions of 17 (2-36) and 18 (3-42) kg y(-1), respectively, undergo atmospheric transport from the city, which is partly over Lake Ontario. The urban air plume was found to reach about 50 km for PCBs and PBDEs, in the direction of prevailing winds which is almost twice the distance of the wind-independent plume. The distance traveled by the plume is a function of prevailing wind velocity, the geographic distribution of the chemical inventory, and gas-particle partitioning. Soil wash-off of historically accumulated Σ5PCBs to surface water contributed ∼ 0.4 kg y(-1) (of mainly higher congeners) to near-shore Lake Ontario compared with volatilization of ∼ 6 kg y(-1) of mainly lighter congeners. Atmospheric emissions from primary sources followed by deposition to surface films and subsequent wash-off to surface water contributed ∼ 1 kg y(-1) and was the main route of Σ5PBDE loadings to near-shore Lake Ontario which acts as a net PBDE sink. Secondary emissions of PCBs and PBDEs from at least a ∼ 900,000 km(2) rural land area would be needed to produce the equivalent primary emissions as Toronto (∼ 640 km(2)). These results provide clear support for reducing inventories of these POPs.

  3. Coupled Transport Phenomena in Corrugated Photocatalytic Reactors

    Institute of Scientific and Technical Information of China (English)

    Adam A. Donaldson; ZHANG Zisheng

    2011-01-01

    Corrugated reactors are known for their use in applications requiring UV-exposure, whereby media flowing within the corrugated channel react with a photo-active catalyst impregnated on the surface (i.e. TiO2). The performance in these systems is dependent on catalyst properties and reactivity for a given light source, in conjunc-tion with the coupled transport of reactants within the media and photons falling incident to the catalyst surface. Experimental and computational analyses of local mass transfer and radiation pattems for a broad range of corrugation angles, depths, and non-idealities introduced during manufacture (i.e. fold curvature) are thus integrated to the design and optimization of these systems. This work explores techniques for determining incident energy distribu-tions on the surface of corrugated reactor geometries with non-ideal cross-sectional profiles, and the local and overall mass transfer rates obtained using computational fluid dynamics and experimental analysis. By examining the reaction kinetics for the photo-degradation of 4-chlorophenol over a TiO2 catalyst, the effects of surface area, energy incidence with photon recapture, and local mass transfer on overall reactor performance are presented to highlight ootimization concerns for these tvoes of reactors.

  4. Inertial effect on spin-orbit coupling and spin transport

    Science.gov (United States)

    Basu, B.; Chowdhury, Debashree

    2013-08-01

    We theoretically study the renormalization of inertial effects on the spin dependent transport of conduction electrons in a semiconductor by taking into account the interband mixing on the basis of k→ṡp→ perturbation theory. In our analysis, for the generation of spin current we have used the extended Drude model where the spin-orbit coupling plays an important role. We predict enhancement of the spin current resulting from the renormalized spin-orbit coupling effective in our model in cubic and non-cubic crystals. Attention has been paid to clarify the importance of gauge fields in the spin transport of this inertial system. A theoretical proposition of a perfect spin filter has been done through the Aharonov-Casher like phase corresponding to this inertial system. For a time dependent acceleration, effect of k→ ṡp→ perturbation on the spin current and spin polarization has also been addressed. Furthermore, achievement of a tunable source of polarized spin current through the non uniformity of the inertial spin-orbit coupling strength has also been discussed.

  5. Hydrological model coupling with ANNs

    Science.gov (United States)

    Kamp, R. G.; Savenije, H. H. G.

    2006-12-01

    Model coupling in general is necessary but complicated. Scientists develop and improve conceptual models to represent physical processes occurring in nature. The next step is to translate these concepts into a mathematical model and finally into a computer model. Problems may appear if the knowledge, encapsulated in a computer model and software program is needed for another purpose. In integrated water management this is often the case when connections between hydrological, hydraulic or ecological models are required. Coupling is difficult for many reasons, related to data formats, compatibility of scales, ability to modify source codes, etc. Hence, there is a need for an efficient and cost effective approach to model-coupling. One solution for model coupling is the use of Artificial Neural Networks (ANNs). The ANN can be used as a fast and effective model simulator which can connect different models. In this paper ANNs are used to couple four different models: a rainfall runoff model, a river channel routing model, an estuarine salt intrusion model, and an ecological model. The coupling as such has proven to be feasible and efficient. However the salt intrusion model appeared difficult to model accurately in an ANN. The ANN has difficulty to represent both short term (tidal) and long term (hydrological) processes.

  6. Effects of spin-orbit coupling on quantum transport

    NARCIS (Netherlands)

    Bardarson, Jens Hjorleifur

    2008-01-01

    The effect of spin-orbit coupling on various quantum transport phenomena is considered. The main topics discussed are: * How spin-orbit coupling can induce shot noise through trajectory splitting. * How spin-orbit coupling can degrade electron-hole entanglement (created by a tunnel barrier) by mo

  7. Transport for Stochastic System with Infinite Locally Coupled Oscillators

    Institute of Scientific and Technical Information of China (English)

    ZHAO Ying-Kui; LI Jing-Hui; ZHAO Xian-Geng

    2003-01-01

    We consider the transport of particles for spatially periodic system with infinite locally coupled oscillatorsdriven by additive and multiplicative noises. A formula of the probability current derived by us shows that the couplingamong the infinite oscillators is an ingredient for transport. This coupling of the oscillators can induce transport ofparticles in the absence of the correlation of the additive and multiplicative noises, even without the multiplicative noise.

  8. Community Sediment Transport Model

    Science.gov (United States)

    2007-01-01

    are used to determine that model results are consistent across compilers, platforms, and computer architectures , and to ensure that changes in code do...Mississippi State University: Bhate During the early months of this project, the focus was on understanding ROMS-CSTM model, architecture , and...Marchesiello, J.C. McWilliams, & K.D. Stolzenbach, 2007: Sediment transport modeling on Southern Californian shelves: A ROMS case study. Continental

  9. Thermodynamically coupled mass transport processes in a saturated clay

    Energy Technology Data Exchange (ETDEWEB)

    Carnahan, C.L.

    1984-11-01

    Gradients of temperature, pressure, and fluid composition in saturated clays give rise to coupled transport processes (thermal and chemical osmosis, thermal diffusion, ultrafiltration) in addition to the direct processes (advection and diffusion). One-dimensional transport of water and a solute in a saturated clay subjected to mild gradients of temperature and pressure was simulated numerically. When full coupling was accounted for, volume flux (specific discharge) was controlled by thermal osmosis and chemical osmosis. The two coupled fluxes were oppositely directed, producing a point of stagnation within the clay column. Solute flows were dominated by diffusion, chemical osmosis, and thermal osmosis. Chemical osmosis produced a significant flux of solute directed against the gradient of solute concentration; this effect reduced solute concentrations relative to the case without coupling. Predictions of mass transport in clays at nuclear waste repositories could be significantly in error if coupled transport processes are not accounted for. 14 references, 8 figures, 1 table.

  10. Transport of organelles by elastically coupled motor proteins

    CERN Document Server

    Bhat, Deepak

    2014-01-01

    Motor-driven intracellular transport is a complex phenomenon where multiple motor proteins attached to a cargo are simultaneously engaged in pulling activity, often leading to tug-of-war and bidirectional motion. However, most mathematical and computational models ignore the details of the motor-cargo interaction. A few papers have studied more realistic models of cargo transport by including elastic motor-cargo coupling, but either restricts the number of motors and/or uses purely phenomenological forms for energy-dependent hopping rates. Here, we study a generic Model In which N motors are elastically coupled to a cargo, which itself is subject to thermal noise in the cytoplasm and an additional external applied force. The motor-hopping rates are chosen to satisfy detailed balance with respect to the energy of stretching. The master equation is converted to a linear Fokker-Planck equation (LFPE), which yields the average positions of the cargo and motors, as well as their fluctuations and correlation functi...

  11. Coupled Eulerian-Lagrangian transport of large debris by tsunamis

    Science.gov (United States)

    Conde, Daniel A. S.; Ferreira, Rui M. L.; Sousa Oliveira, Carlos

    2016-04-01

    Tsunamis are notorious for the large disruption they can cause on coastal environments, not only due to the imparted momentum of the incoming wave but also due to its capacity to transport large quantities of solid debris, either from natural or human-made sources, over great distances. A 2DH numerical model under development at CERIS-IST (Ferreira et al., 2009; Conde, 2013) - STAV2D - capable of simulating solid transport in both Eulerian and Lagrangian paradigms will be used to assess the relevance of Lagrangian-Eulerian coupling when modelling the transport of solid debris by tsunamis. The model has been previously validated and applied to tsunami scenarios (Conde, 2013), being well-suited for overland tsunami propagation and capable of handling morphodynamic changes in estuaries and seashores. The discretization scheme is an explicit Finite Volume technique employing flux-vector splitting and a reviewed Roe-Riemann solver. Source term formulations are employed in a semi-implicit way, including the two-way coupling of the Lagrangian and Eulerian solvers by means of conservative mass and momentum transfers between fluid and solid phases. The model was applied to Sines Port, a major commercial port in Portugal, where two tsunamigenic scenarios are considered: an 8.5 Mw scenario, consistent with the Great Lisbon Earthquake and Tsunami of the 1st November 1755 (Baptista, 2009), and an hypothetical 9.5 Mw worst-case scenario based on the same historical event. Open-ocean propagation of these scenarios were simulated with GeoClaw model from ClawPack (Leveque, 2011). Following previous efforts on the modelling of debris transport by tsunamis in seaports (Conde, 2015), this work discusses the sensitivity of the obtained results with respect to the phenomenological detail of the employed Eulerian-Lagrangian formulation and the resolution of the mesh used in the Eulerian solver. The results have shown that the fluid to debris mass ratio is the key parameter regarding the

  12. Coupling a continuous watershed-scale microbial fate and transport model with a stochastic dose-response model to estimate risk of illness in an urban watershed.

    Science.gov (United States)

    Liao, Hehuan; Krometis, Leigh-Anne H; Kline, Karen

    2016-05-01

    Within the United States, elevated levels of fecal indicator bacteria (FIB) remain the leading cause of surface water-quality impairments requiring formal remediation plans under the federal Clean Water Act's Total Maximum Daily Load (TMDL) program. The sufficiency of compliance with numerical FIB criteria as the targeted endpoint of TMDL remediation plans may be questionable given poor correlations between FIB and pathogenic microorganisms and varying degrees of risk associated with exposure to different fecal pollution sources (e.g. human vs animal). The present study linked a watershed-scale FIB fate and transport model with a dose-response model to continuously predict human health risks via quantitative microbial risk assessment (QMRA), for comparison to regulatory benchmarks. This process permitted comparison of risks associated with different fecal pollution sources in an impaired urban watershed in order to identify remediation priorities. Results indicate that total human illness risks were consistently higher than the regulatory benchmark of 36 illnesses/1000 people for the study watershed, even when the predicted FIB levels were in compliance with the Escherichia coli geometric mean standard of 126CFU/100mL. Sanitary sewer overflows were associated with the greatest risk of illness. This is of particular concern, given increasing indications that sewer leakage is ubiquitous in urban areas, yet not typically fully accounted for during TMDL development. Uncertainty analysis suggested the accuracy of risk estimates would be improved by more detailed knowledge of site-specific pathogen presence and densities. While previous applications of the QMRA process to impaired waterways have mostly focused on single storm events or hypothetical situations, the continuous modeling framework presented in this study could be integrated into long-term water quality management planning, especially the United States' TMDL program, providing greater clarity to watershed

  13. Transport in weakly-coupled superlattices: A quantitative approach for photon-assisted tunneling

    DEFF Research Database (Denmark)

    Wacker, Andreas; Jauho, Antti-Pekka

    1997-01-01

    Photon-assisted tunneling is studied in weakly-coupled semiconductor superlattices under THz irradiation. Using a microscopic transport model we find excellent quantitative agreement with experimental data for two different samples without using any fitting parameters.......Photon-assisted tunneling is studied in weakly-coupled semiconductor superlattices under THz irradiation. Using a microscopic transport model we find excellent quantitative agreement with experimental data for two different samples without using any fitting parameters....

  14. Distinct transport regimes for two elastically coupled molecular motors.

    Science.gov (United States)

    Berger, Florian; Keller, Corina; Klumpp, Stefan; Lipowsky, Reinhard

    2012-05-18

    Cooperative cargo transport by two molecular motors involves an elastic motor-motor coupling, which can reduce the motors' velocity and/or enhance their unbinding from the filament. We show theoretically that these interference effects lead, in general, to four distinct transport regimes. In addition to a weak coupling regime, kinesin and dynein motors are found to exhibit a strong coupling and an enhanced unbinding regime, whereas myosin motors are predicted to attain a reduced velocity regime. All of these regimes, which we derive by explicit calculations and general time scale arguments, can be explored experimentally by varying the elastic coupling strength.

  15. Numerical Modelling of Dissolving and Driving Exploitation of Potash Salt in the Qarhan Playa——A Coupled Model of Reactive olute Transport and Chemical Equilibrium in a Multi-component Underground Brine System

    Institute of Scientific and Technical Information of China (English)

    LI Wenpeng; LIU Zhenying

    2008-01-01

    Firstly, the macroscopic chemical equilibrium state of a series of chemical reactions between intercrystal brine and its media salt layer (salt deposit) in Qarhan Salt Lake was studied by using the Pitzer theory. The concept of macroscopic solubility product and its relation with accumulated ore dissolving ratio were presented, which are used in the numerical model of dissolving and driving exploitation of potassium salt in Qarhan Salt Lake. And secondly, with a model forming idea oftransport model for reacting solutes in the multi-component fresh groundwater system in porous media being a reference, a two-dimensional transport model coupled with a series of chemical reactions in a multi-component brine porous system (salt deposits) was developed by using the Pitzer theory.Meanwhile, the model was applied to model potassium/magnesium transport in Qarhan Salt Lake in order to study the transfer law of solid and liquid phases in the dissolving and driving process and to design the optimal injection/abstraction strategy for dissolving and capturing maximum Potassium/Magnesium in the mining of salt deposits in Qarhan Salt Lake.

  16. Coupling a continuous watershed-scale microbial fate and transport model with a stochastic dose-response model to estimate risk of illness in an urban watershed

    Energy Technology Data Exchange (ETDEWEB)

    Liao, Hehuan, E-mail: hehuan86@vt.edu [Department of Biological Systems Engineering, Virginia Tech, 155 Ag Quad Lane, Blacksburg, VA 24061 (United States); Krometis, Leigh-Anne H. [Department of Biological Systems Engineering, Virginia Tech, 155 Ag Quad Lane, Blacksburg, VA 24061 (United States); Kline, Karen [Department of Biological Systems Engineering, Virginia Tech, 155 Ag Quad Lane, Blacksburg, VA 24061 (United States); Center for Watershed Studies, Virginia Tech, 155 Ag Quad Lane, Blacksburg, VA 24061 (United States)

    2016-05-01

    Within the United States, elevated levels of fecal indicator bacteria (FIB) remain the leading cause of surface water-quality impairments requiring formal remediation plans under the federal Clean Water Act's Total Maximum Daily Load (TMDL) program. The sufficiency of compliance with numerical FIB criteria as the targeted endpoint of TMDL remediation plans may be questionable given poor correlations between FIB and pathogenic microorganisms and varying degrees of risk associated with exposure to different fecal pollution sources (e.g. human vs animal). The present study linked a watershed-scale FIB fate and transport model with a dose-response model to continuously predict human health risks via quantitative microbial risk assessment (QMRA), for comparison to regulatory benchmarks. This process permitted comparison of risks associated with different fecal pollution sources in an impaired urban watershed in order to identify remediation priorities. Results indicate that total human illness risks were consistently higher than the regulatory benchmark of 36 illnesses/1000 people for the study watershed, even when the predicted FIB levels were in compliance with the Escherichia coli geometric mean standard of 126 CFU/100 mL. Sanitary sewer overflows were associated with the greatest risk of illness. This is of particular concern, given increasing indications that sewer leakage is ubiquitous in urban areas, yet not typically fully accounted for during TMDL development. Uncertainty analysis suggested the accuracy of risk estimates would be improved by more detailed knowledge of site-specific pathogen presence and densities. While previous applications of the QMRA process to impaired waterways have mostly focused on single storm events or hypothetical situations, the continuous modeling framework presented in this study could be integrated into long-term water quality management planning, especially the United States' TMDL program, providing greater clarity to

  17. A theoretical model describing diffusion of a mixture of different types of ions in pore solution of concrete coupled to moisture transport

    OpenAIRE

    Johannesson, Björn

    2000-01-01

    A theoretical model is established for diffusion of different types of ions in pore solution of concrete and the coupling to moisture flow and moisture content. Mass exchanges between ions in pore solution and solid hydration products in the concrete are also considered. The basic concepts behind the so-called mixture theory are used.

  18. Mesoscale modeling of smoke transport over the Southeast Asian Maritime Continent: coupling of smoke direct radiative effect below and above the low-level clouds

    Science.gov (United States)

    Ge, C.; Wang, J.; Reid, J. S.

    2014-01-01

    The online-coupled Weather Research and Forecasting model with Chemistry (WRF-Chem) is used to simulate the direct and semi-direct radiative impacts of smoke particles over the Southeast Asian Maritime Continent (MC, 10° S-10° N, 90-150° E) during October 2006 when a significant El Niño event caused the highest biomass burning activity since 1997. With the use of an OC (organic carbon) / BC (black carbon) ratio of 10 in the smoke emission inventory, the baseline simulation shows that the clouds can reverse the negative smoke forcing in cloud-free conditions to a positive value. The net absorption of the atmosphere is largely enhanced when smoke resides above a cloud. This led to a warming effect at the top of the atmosphere (TOA) with a domain and monthly average forcing value of ~ 20 W m-2 over the islands of Borneo and Sumatra. Smoke-induced monthly average daytime heating (0.3 K) is largely confined above the low-level clouds, and results in a local convergence over the smoke source region. This heating-induced convergence transports more smoke particles above the planetary boundary layer height (PBLH), hence rendering a positive effect. This positive effect contrasts with a decrease in the cloud fraction resulting from the combined effects of smoke heating within the cloud layer and the more stable boundary layer; the latter can be considered as a negative effect in which a decrease of the cloud fraction weakens the heating by smoke particles above the clouds. During the nighttime, the elevated smoke layer lying above the clouds in the daytime is decoupled from the boundary layer, and the enhanced downdraft and shallower boundary layer lead to the accumulation of smoke particles near the surface. Because of monthly smoke radiative extinction, the amount of solar input at the surface is reduced by as much as 60 W m-2, which leads to a decrease in sensible heat, latent heat, 2 m air temperature, and PBLH by a maximum of 20 W m-2, 20 W m-2, 1 K, and 120 m

  19. Mesoscale modeling of smoke transport over the Southeast Asian Maritime Continent: Coupling of smoke direct radiative feedbacks below and above the low-level clouds

    Science.gov (United States)

    Ge, C.; Wang, J.; Reid, J. S.

    2013-12-01

    The online-coupled Weather Research and Forecasting model with Chemistry (WRF-Chem) is used to simulate the direct and semi-direct radiative impacts of smoke particles over the southeast Asian Marine Continents (MC, 10°S - 10°N, 90°E-150°E) during October 2006 when a significant El Nino event caused the highest biomass burning activity since 1997. With the use of OC (Organic Carbon) /BC (Black Carbon) ratio of 10 in the smoke emission inventory, the baseline simulation shows that the low-level clouds amplifying effect on smoke absorption led to a warming effect at the top-of-atmosphere (TOA) with a domain/monthly average forcing value of ~20 Wm-2 over the islands of Borneo and Sumatra. The smoke-induced monthly average daytime heating (0.3K) that is largely confined above the low-level clouds results in the local convergence over the smoke source region. This heating-induced convergence coupled with daytime planetary boundary layer turbulent mixing, transports more smoke particles above the planetary boundary layer height (PBLH), hence rendering a positive feedback. This positive feedback contrasts with the decrease of cloud fraction resulted from the combined effects of smoke heating within the cloud layer and the more stability in the boundary layer; the latter can be considered as a negative feedback in which decrease of cloud fraction weakens the heating by smoke particles above the clouds. During nighttime, the elevated smoke layer (above clouds in daytime) is decoupled from boundary layer, and the reduction of PBLH due to the residual surface cooling from the daytime lead to the accumulation of smoke particles near the surface. Because of smoke radiative extinction, on monthly basis, the amount of the solar input at the surface is reduced as large as 60 Wm-2, which lead to the decrease of sensible heat, latent heat, 2-m air temperature, and PBLH by a maximum of 20 Wm-2, 20 Wm-2, 1K, 120 m, respectively. The cloud changes over continents are mostly

  20. Heat Transport in Confined Strongly Coupled 2D Dust Clusters

    CERN Document Server

    Kudelis, Giedrius; Bonitz, Michael

    2013-01-01

    Dusty plasmas are a model system for studying strong correlation. The dust grains' size of a few micro-meters and their characteristic oscillation frequency of a few hertz allows for an investigation of many particle effects on an atomic level. In this article, we model the heat transport through an axially confined 2D dust cluster from the center to the outside. The system behaves particularly interesting since heat is not only conducted within the dust component but also transfered to the neutral gas. Fitting the analytical solution to the obtained radial temperature profiles allows to determine the heat conductivity $\\kheat$. The heat conductivity is found to be constant over a wide range of coupling strengths even including the phase transition from solid to liquid here, as it was also found in extended systems by V. Nosenko et al. in 2008 \\cite{PhysRevLett.100.025003}

  1. Groupage Cargo Transportation Model

    Directory of Open Access Journals (Sweden)

    Aleksejevs Ruslans

    2016-03-01

    Full Text Available In this work we consider a specific problem of optimal planning of maritime transportation of multiproduct cargo by ships of one (corporate strategy or several (partially corporate strategy companies: the core of the problem consists of the existence of the network of intermediate seaports (i.e. transitional seaports, where for every ship arrived the cargo handling is done, and which are situated between the starting and the finishing seaports. In this work, there are mathematical models built from scratch in the form of multicriteria optimization problem; then the goal attainment method of Gembicki is used for reducing the built models to a one-criterion problem of linear programming.

  2. Coupling GIS with Nitrogen Leaching Models

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Geographical information systems (GIS) are increasingly being applied to surface and subsurface flow and transport modeling issues. In this paper, more attentions are focused on the methodology and strategies of coupling GIS with non-point pollution models. Suggestions are made on how to best integrate current available or selected nitrogen leaching models, especially in the aspect of programming development so as to effectively and flexibly address the specific tasks. The new possibilities for dealing with non-point pollution problems at a regional scale are provided in the resulting integrated approach, including embedding grid-based GIS components in models.

  3. Modeling greenhouse gas emissions (CO2, N2O, CH4) from managed arable soils with a fully coupled hydrology-biogeochemical modeling system simulating water and nutrient transport and associated carbon and nitrogen cycling at catchment scale

    Science.gov (United States)

    Klatt, Steffen; Haas, Edwin; Kraus, David; Kiese, Ralf; Butterbach-Bahl, Klaus; Kraft, Philipp; Plesca, Ina; Breuer, Lutz; Zhu, Bo; Zhou, Minghua; Zhang, Wei; Zheng, Xunhua; Wlotzka, Martin; Heuveline, Vincent

    2014-05-01

    The use of mineral nitrogen fertilizer sustains the global food production and therefore the livelihood of human kind. The rise in world population will put pressure on the global agricultural system to increase its productivity leading most likely to an intensification of mineral nitrogen fertilizer use. The fate of excess nitrogen and its distribution within landscapes is manifold. Process knowledge on the site scale has rapidly grown in recent years and models have been developed to simulate carbon and nitrogen cycling in managed ecosystems on the site scale. Despite first regional studies, the carbon and nitrogen cycling on the landscape or catchment scale is not fully understood. In this study we present a newly developed modelling approach by coupling the fully distributed hydrology model CMF (catchment modelling framework) to the process based regional ecosystem model LandscapeDNDC for the investigation of hydrological processes and carbon and nitrogen transport and cycling, with a focus on nutrient displacement and resulting greenhouse gas emissions in a small catchment at the Yanting Agro-ecological Experimental Station of Purple Soil, Sichuan province, China. The catchment hosts cypress forests on the outer regions, arable fields on the sloping croplands cultivated with wheat-maize rotations and paddy rice fields in the lowland. The catchment consists of 300 polygons vertically stratified into 10 soil layers. Ecosystem states (soil water content and nutrients) and fluxes (evapotranspiration) are exchanged between the models at high temporal scales (hourly to daily) forming a 3-dimensional model application. The water flux and nutrients transport in the soil is modelled using a 3D Richards/Darcy approach for subsurface fluxes with a kinematic wave approach for surface water runoff and the evapotranspiration is based on Penman-Monteith. Biogeochemical processes are modelled by LandscapeDNDC, including soil microclimate, plant growth and biomass allocation

  4. Impact of pore size variability and network coupling on electrokinetic transport in porous media

    Science.gov (United States)

    Alizadeh, Shima; Bazant, Martin Z.; Mani, Ali

    2016-11-01

    We have developed and validated an efficient and robust computational model to study the coupled fluid and ion transport through electrokinetic porous media, which are exposed to external gradients of pressure, electric potential, and concentration. In our approach a porous media is modeled as a network of many pores through which the transport is described by the coupled Poisson-Nernst-Planck-Stokes equations. When the pore sizes are random, the interactions between various modes of transport may provoke complexities such as concentration polarization shocks and internal flow circulations. These phenomena impact mixing and transport in various systems including deionization and filtration systems, supercapacitors, and lab-on-a-chip devices. In this work, we present simulations of massive networks of pores and we demonstrate the impact of pore size variation, and pore-pore coupling on the overall electrokinetic transport in porous media.

  5. Prospects for coupled modelling

    Energy Technology Data Exchange (ETDEWEB)

    Savage, D.

    2012-07-01

    Clay-based buffer and tunnel backfill materials are important barriers in the KBS- 3 repository concept for final disposal of spent nuclear fuel in Finland. Significant changes can be expected to occur to the properties and behaviour of buffer and backfill, especially during re-saturation and through the thermal period. Reactions will occur in response to thermal and chemical gradients, induced by the thermal output of the spent fuel and at interfaces between different barrier materials, such as cement/clay, steel/clay etc. Processes of ion exchange, mineral dissolution and precipitation, and swelling can lead to significant re-distribution of mass and evolution of physical properties so that reliable predictive modelling of future behaviour and properties must be made. This report evaluates the current status of modelling of buffer and backfill evolution and tries to assess the potential future capabilities in the short- to medium-term (5-10 years) in a number of technical areas: (1) Non-isothermal (T-H-M-C-B) modelling and the potential for cementation, (2) The consistency of models, (3) Swelling pressure, (4) Cement-bentonite interactions, (5) Iron-bentonite interactions, (6) Mechanical (shear) behavior, and (7) Bentonite erosion.

  6. Transport hub flow modelling

    OpenAIRE

    Despagne, Wilfried; Frenod, Emmanuel

    2014-01-01

    Purpose: The purpose of this paper is to investigate the road freight haulage activity. Using the physical and data flow information from a freight forwarder, we intend to model the flow of inbound and outbound goods in a freight transport hub. Approach: This paper presents the operation of a road haulage group. To deliver goods within two days to any location in France, a haulage contractor needs to be part of a network. This network handles the processing of both physical goods and data. We...

  7. Quantum Thermodynamics in Strong Coupling: Heat Transport and Refrigeration

    Directory of Open Access Journals (Sweden)

    Gil Katz

    2016-05-01

    Full Text Available The performance characteristics of a heat rectifier and a heat pump are studied in a non-Markovian framework. The device is constructed from a molecule connected to a hot and cold reservoir. The heat baths are modelled using the stochastic surrogate Hamiltonian method. The molecule is modelled by an asymmetric double-well potential. Each well is semi-locally connected to a heat bath composed of spins. The dynamics are driven by a combined system–bath Hamiltonian. The temperature of the baths is regulated by a secondary spin bath composed of identical spins in thermal equilibrium. A random swap operation exchange spins between the primary and secondary baths. The combined system is studied in various system–bath coupling strengths. In all cases, the average heat current always flows from the hot towards the cold bath in accordance with the second law of thermodynamics. The asymmetry of the double well generates a rectifying effect, meaning that when the left and right baths are exchanged the heat current follows the hot-to-cold direction. The heat current is larger when the high frequency is coupled to the hot bath. Adding an external driving field can reverse the transport direction. Such a refrigeration effect is modelled by a periodic driving field in resonance with the frequency difference of the two potential wells. A minimal driving amplitude is required to overcome the heat leak effect. In the strong driving regime the cooling power is non-monotonic with the system–bath coupling.

  8. Nonequilibrium generalised Langevin equation for the calculation of heat transport properties in model 1D atomic chains coupled to two 3D thermal baths.

    Science.gov (United States)

    Ness, H; Stella, L; Lorenz, C D; Kantorovich, L

    2017-04-28

    We use a generalised Langevin equation scheme to study the thermal transport of low dimensional systems. In this approach, the central classical region is connected to two realistic thermal baths kept at two different temperatures [H. Ness et al., Phys. Rev. B 93, 174303 (2016)]. We consider model Al systems, i.e., one-dimensional atomic chains connected to three-dimensional baths. The thermal transport properties are studied as a function of the chain length N and the temperature difference ΔT between the baths. We calculate the transport properties both in the linear response regime and in the non-linear regime. Two different laws are obtained for the linear conductance versus the length of the chains. For large temperatures (T≳500 K) and temperature differences (ΔT≳500 K), the chains, with N>18 atoms, present a diffusive transport regime with the presence of a temperature gradient across the system. For lower temperatures (T≲500 K) and temperature differences (ΔT≲400 K), a regime similar to the ballistic regime is observed. Such a ballistic-like regime is also obtained for shorter chains (N≤15). Our detailed analysis suggests that the behaviour at higher temperatures and temperature differences is mainly due to anharmonic effects within the long chains.

  9. Directions in Radiation Transport Modelling

    Directory of Open Access Journals (Sweden)

    P Nicholas Smith

    2016-12-01

    More exciting advances are on the horizon to increase the power of simulation tools. The advent of high performance computers is allowing bigger, higher fidelity models to be created, if the challenges of parallelization and memory management can be met. 3D whole core transport modelling is becoming possible. Uncertainty quantification is improving with large benefits to be gained from more accurate, less pessimistic estimates of uncertainty. Advanced graphical displays allow the user to assimilate and make sense of the vast amounts of data produced by modern modelling tools. Numerical solvers are being developed that use goal-based adaptivity to adjust the nodalisation of the system to provide the optimum scheme to achieve the user requested accuracy on the results, thus removing the need to perform costly convergence studies in space and angle etc. More use is being made of multi-physics methods in which radiation transport is coupled with other phenomena, such as thermal-hydraulics, structural response, fuel performance and/or chemistry in order to better understand their interplay in reactor cores.

  10. 土体固结与污染物运移耦合模型研究%A study on model of contaminant transport and soil consolidation coupling

    Institute of Scientific and Technical Information of China (English)

    张志红; 赵成刚; 李涛

    2009-01-01

    Combining Biot's consolidation theory with contaminant transport theory, a one-dimensional mathematical model for contaminant transport in clay layers is developed. The distinct feature of the model is that the effect of soil deformation on contaminant transport is considered. Analytic solution of the model is sought by using reasonable assumptions, with the attenuation of contaminated fountain concentration being taken into account. The concentration distribution of a major contaminant in the Taihu dredged sediment field is calculated, and the results indicate that the depth of contaminant transport with soil consolidation is smaller than that without soil consolidation.%在比奥固结理论和污染物运移理论相结合的基础上,提出污染物在黏土防渗层中运移转化的一维数学模型,该模型的最大特点是考虑了土体受力变形对污染物运移的影响.在合理简化的基础上给出考虑污染源浓度随时间衰减情况下,污染物运移模型的解析解,对太湖疏浚堆场中底泥所含主要污染物的浓度随时空的分布进行模拟计算,并将模拟结果与不考虑土体压缩变形的污染物运移情况作比较.结果表明考虑土层固结后污染物运移的深度要小于不考虑土层固结的情况.

  11. Hydrodynamic transport in strongly coupled disordered quantum field theories

    CERN Document Server

    Lucas, Andrew

    2015-01-01

    We compute direct current (dc) thermoelectric transport coefficients in strongly coupled quantum field theories without long lived quasiparticles, at finite temperature and charge density, and disordered on long wavelengths compared to the length scale of local thermalization. Many previous transport computations in strongly coupled systems are interpretable hydrodynamically, despite formally going beyond the hydrodynamic regime. This includes momentum relaxation times previously derived by the memory matrix formalism, and non-perturbative holographic results; in the latter case, this is subject to some important subtleties. Our formalism may extend some memory matrix computations to higher orders in the perturbative disorder strength, as well as give valuable insight into non-perturbative regimes. Strongly coupled metals with quantum critical contributions to transport generically transition between coherent and incoherent metals as disorder strength is increased at fixed temperature, analogous to mean field...

  12. Inter-dot coupling effects on transport through correlated parallel coupled quantum dots

    Indian Academy of Sciences (India)

    Shyam Chand; G Rajput; K C Sharma; P K Ahluwalia

    2009-05-01

    Transport through symmetric parallel coupled quantum dot system has been studied, using non-equilibrium Green function formalism. The inter-dot tunnelling with on-dot and inter-dot Coulomb repulsion is included. The transmission coefficient and Landaur–Buttiker like current formula are shown in terms of internal states of quantum dots. The effect of inter-dot tunnelling on transport properties has been explored. Results, in intermediate inter-dot coupling regime show signatures of merger of two dots to form a single composite dot and in strong coupling regime the behaviour of the system resembles the two decoupled dots.

  13. Coupling of Active Motion and Advection Shapes Intracellular Cargo Transport

    CERN Document Server

    Trong, P Khuc; Goldstein, R E; 10.1103/PhysRevLett.109.028104

    2012-01-01

    Intracellular cargo transport can arise from passive diffusion, active motor-driven transport along cytoskeletal filament networks, and passive advection by fluid flows entrained by such motor/cargo motion. Active and advective transport are thus intrinsically coupled as related, yet different representations of the same underlying network structure. A reaction-advection-diffusion system is used here to show that this coupling affects the transport and localization of a passive tracer in a confined geometry. For sufficiently low diffusion, cargo localization to a target zone is optimized either by low reaction kinetics and decoupling of bound and unbound states, or by a mostly disordered cytoskeletal network with only weak directional bias. These generic results may help to rationalize subtle features of cytoskeletal networks, for example as observed for microtubules in fly oocytes.

  14. Quantum transport in coupled resonators enclosed synthetic magnetic flux

    Science.gov (United States)

    Jin, L.

    2016-07-01

    Quantum transport properties are instrumental to understanding quantum coherent transport processes. Potential applications of quantum transport are widespread, in areas ranging from quantum information science to quantum engineering, and not restricted to quantum state transfer, control and manipulation. Here, we study light transport in a ring array of coupled resonators enclosed synthetic magnetic flux. The ring configuration, with an arbitrary number of resonators embedded, forms a two-arm Aharonov-Bohm interferometer. The influence of magnetic flux on light transport is investigated. Tuning the magnetic flux can lead to resonant transmission, while half-integer magnetic flux quantum leads to completely destructive interference and transmission zeros in an interferometer with two equal arms.

  15. On New Progress of Research on Coupling Models for Heavy Metal Contaminants Transport%重金属污染物运移耦合模型研究新进展

    Institute of Scientific and Technical Information of China (English)

    马福荣; 庞迎波; 陈日高

    2011-01-01

    In light of analysis of the current state of research on contaminants transport models at home and abroad,coupling models for soil consolidation deformation and heavy metal contaminants transport,the article argues that heterogeneous and nonlinear natures of transmission media should be considered while coupling soil consolidation deformation with heavy metal contaminants transport; comprehensive consideration should be taken into transformation model for stress field,seepage field,concentration field, chemical field and heavy metal contaminants transport in double electric layers gravitational field and coupling models for soil consolidation deformation and heavy metal contaminants transport be developed in the special soil.%针对尾矿库、垃圾填埋场底部土层受荷后的力学变形特性,以及考虑土体固结变形与重金属污染物运移转化模式、途径的不确定性与模糊性,通过分析国内外有关污染物运移模型,以及考虑土体固结变形与重金属污染物运移耦合模型的研究现状,指出现阶段研究中存在的不足,并提出考虑土体固结变形与重金属污染物运移转化相互耦合时应加强考虑传输介质问的非均相、非线性,建立综合考虑应力场、渗流场、浓度场、化学场,以及双电层引力场的重金属污染物运移转化模型,特别是在特殊土(如膨胀土、红黏土等)中建立土体固结变形与重金属污染物运移耦合模型以及计算方法,是今后研究工作的研究重点与发展方向。

  16. Modeling of Coupled Chaotic Oscillators

    Energy Technology Data Exchange (ETDEWEB)

    Lai, Y. [Departments of Physics and Astronomy and of Mathematics, University of Kansas, Lawrence, Kansas 66045 (United States); Grebogi, C. [Institute for Plasma Research, Department of Mathematics, Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742 (United States)

    1999-06-01

    Chaotic dynamics may impose severe limits to deterministic modeling by dynamical equations of natural systems. We give theoretical argument that severe modeling difficulties may occur for high-dimensional chaotic systems in the sense that no model is able to produce reasonably long solutions that are realized by nature. We make these ideas concrete by investigating systems of coupled chaotic oscillators. They arise in many situations of physical and biological interests, and they also arise from discretization of nonlinear partial differential equations. {copyright} {ital 1999} {ital The American Physical Society}

  17. Directed transport of coupled systems in symmetric periodic potentials

    Institute of Scientific and Technical Information of China (English)

    郑志刚; 刘凤芝; 高建

    2003-01-01

    In this paper, we discuss the damped unidirectional motions of a coupled lattice in a periodic potential. Each particle in the lattice is subject to a time-periodic ac force. Our studies reveal that a directed transport process can be observed when the ac forces acting on the coupled lattice have a phase shift (mismatch). This directed motion is a collaboration of the coupling, the substrate potential, and the periodic force, which are all.symmetric. The absence of any one of these three factors will not give rise to a directed current. We discuss the complex relations between the directed current and parameters in the system. Results in this paper can be accomplished in experiments. Moreover,our results can be generalized to the studies of directed transport processes in more complicated spatially extended systems.

  18. Transport signatures in topological systems coupled to ac fields

    Science.gov (United States)

    Ruocco, Leonard; Gómez-León, Álvaro

    2017-02-01

    We study the transport properties of a topological system coupled to an ac electric field by means of Floquet-Keldysh formalism. We consider a semi-infinite chain of dimers coupled to a semi-infinite metallic lead and obtain the density of states and current when the system is out of equilibrium. Our formalism is nonperturbative and allows us to explore, in the thermodynamic limit, a wide range of regimes for the ac field, arbitrary values of the coupling strength to the metallic contact and corrections to the wide-band limit (WBL). We find that hybridization with the contact can change the dimerization phase, and that the current dependence on the field amplitude can be used to discriminate between them. We also show the appearance of side bands and nonequilibrium zero-energy modes, characteristic of the Floquet systems. Our results directly apply to the stability of nonequilibrium topological phases, when transport measurements are used for their detection.

  19. Three-dimensional coupled model of consolidation and solute transport for porous media%土体固结与溶质运移三维耦合模型

    Institute of Scientific and Technical Information of China (English)

    房远方; 张志红; 杜修力

    2015-01-01

    考虑堆场上覆堆积体自重引起的土体固结与溶质运移的耦合效应已成为环境土工领域中的热点问题。在 Biot 固结理论和溶质运移理论相结合的基础上,以孔隙率作为耦合参量,将固结方程与运移方程相联系,考虑土体固结对溶质运移模型参数的影响,建立了溶质在固结变形土体中运移的三维耦合模型。采用多场耦合有限元软件 COMSOL Multiphysics 对模型进行了数值求解。数值模拟结果表明,土体固结变形对溶质运移过程具有较强和持久的阻滞作用,导致溶质运移深度以及污染羽范围的减小,在模拟运移20 a 时,运移距离减小率已高达27.75%,且随着时间的增加而逐渐增大;溶质在水平方向的迁移距离不可忽略,随着横向水力梯度的增大而增大。%The coupling effect of consolidation caused by the waste and the cover,and the solute transport has been widely studied in the field of environmental civil engineering.Based on Biot consolidation theory and solute transport theory,a three-dimensional coupled model of consolidation and solute transport is thus developed and in the modeltheporosity is thecoupled parameter and consolidation equations is linked with transport equations.The influence of consolidation on solute transport parameters is taken into consideration as well..Then,the 3D model coupling the consolidation and solute transport is establishedusing the finite elementsoftware COMSOL Multiphysics.The numerical results show that consolidation deformation retards the transport process of solute leading to decrease in contaminant plume and the transport depth in vertical direction and has a strong and long-term influence on the transport of soluteThe transport distance decreasing rate increased over time and reache27. 75% in 20 years ;the transport distance in the horizontal direction of contaminant concentration increases with the increasing of lateral hydraulic

  20. Aquarius - A Modelling Package for Groundwater Flow and Coupled Heat Transport in the Range 0.1 to 100 MPa and 0.1 to 1000 C

    Science.gov (United States)

    Cook, S. J.

    2009-05-01

    Aquarius is a Windows application that models fluid flow and heat transport under conditions in which fluid buoyancy can significantly impact patterns and magnitudes of fluid flow. The package is designed as a visualization tool through which users can examine flow systems in environments, both low temperature aquifers and regions with elevated PT regimes such as deep sedimentary basins, hydrothermal systems, and contact thermal aureoles. The package includes 4 components: (1) A finite-element mesh generator/assembler capable of representing complex geologic structures. Left-hand, right-hand and alternating linear triangles can be mixed within the mesh. Planer horizontal, planer vertical and cylindrical vertical coordinate sections are supported. (2) A menu-selectable system for setting properties and boundary/initial conditions. The design retains mathematical terminology for all input parameters such as scalars (e.g., porosity), tensors (e.g., permeability), and boundary/initial conditions (e.g., fixed potential). This makes the package an effective instructional aide by linking model requirements with the underlying mathematical concepts of partial differential equations and the solution logic of boundary/initial value problems. (3) Solution algorithms for steady-state and time-transient fluid flow/heat transport problems. For all models, the nonlinear global matrix equations are solved sequentially using over-relaxation techniques. Matrix storage design allows for large (e.g., 20000) element models to run efficiently on a typical PC. (4) A plotting system that supports contouring nodal data (e.g., head), vector plots for flux data (e.g., specific discharge), and colour gradient plots for elemental data (e.g., porosity), water properties (e.g., density), and performance measures (e.g., Peclet numbers). Display graphics can be printed or saved in standard graphic formats (e.g., jpeg). This package was developed from procedural codes in C written originally to

  1. Quantum transport in coupled resonators enclosed synthetic magnetic flux

    Energy Technology Data Exchange (ETDEWEB)

    Jin, L., E-mail: jinliang@nankai.edu.cn

    2016-07-15

    Quantum transport properties are instrumental to understanding quantum coherent transport processes. Potential applications of quantum transport are widespread, in areas ranging from quantum information science to quantum engineering, and not restricted to quantum state transfer, control and manipulation. Here, we study light transport in a ring array of coupled resonators enclosed synthetic magnetic flux. The ring configuration, with an arbitrary number of resonators embedded, forms a two-arm Aharonov–Bohm interferometer. The influence of magnetic flux on light transport is investigated. Tuning the magnetic flux can lead to resonant transmission, while half-integer magnetic flux quantum leads to completely destructive interference and transmission zeros in an interferometer with two equal arms. -- Highlights: •The light transport is investigated through ring array of coupled resonators enclosed synthetic magnetic field. •Aharonov–Bohm ring interferometer of arbitrary configuration is investigated. •The half-integer magnetic flux quantum leads to destructive interference and transmission zeros for two-arm at equal length. •Complete transmission is available via tuning synthetic magnetic flux.

  2. Hierarchical quantum master equation approach to electronic-vibrational coupling in nonequilibrium transport through nanosystems

    Science.gov (United States)

    Schinabeck, C.; Erpenbeck, A.; Härtle, R.; Thoss, M.

    2016-11-01

    Within the hierarchical quantum master equation (HQME) framework, an approach is presented, which allows a numerically exact description of nonequilibrium charge transport in nanosystems with strong electronic-vibrational coupling. The method is applied to a generic model of vibrationally coupled transport considering a broad spectrum of parameters ranging from the nonadiabatic to the adiabatic regime and including both resonant and off-resonant transport. We show that nonequilibrium effects are important in all these regimes. In particular, in the off-resonant transport regime, the inelastic cotunneling signal is analyzed for a vibrational mode in full nonequilibrium, revealing a complex interplay of different transport processes and deviations from the commonly used G0/2 rule of thumb. In addition, the HQME approach is used to benchmark approximate master equation and nonequilibrium Green's function methods.

  3. The Challenges to Coupling Dynamic Geospatial Models

    Energy Technology Data Exchange (ETDEWEB)

    Goldstein, N

    2006-06-23

    Many applications of modeling spatial dynamic systems focus on a single system and a single process, ignoring the geographic and systemic context of the processes being modeled. A solution to this problem is the coupled modeling of spatial dynamic systems. Coupled modeling is challenging for both technical reasons, as well as conceptual reasons. This paper explores the benefits and challenges to coupling or linking spatial dynamic models, from loose coupling, where information transfer between models is done by hand, to tight coupling, where two (or more) models are merged as one. To illustrate the challenges, a coupled model of Urbanization and Wildfire Risk is presented. This model, called Vesta, was applied to the Santa Barbara, California region (using real geospatial data), where Urbanization and Wildfires occur and recur, respectively. The preliminary results of the model coupling illustrate that coupled modeling can lead to insight into the consequences of processes acting on their own.

  4. Stochastic models of intracellular transport

    KAUST Repository

    Bressloff, Paul C.

    2013-01-09

    The interior of a living cell is a crowded, heterogenuous, fluctuating environment. Hence, a major challenge in modeling intracellular transport is to analyze stochastic processes within complex environments. Broadly speaking, there are two basic mechanisms for intracellular transport: passive diffusion and motor-driven active transport. Diffusive transport can be formulated in terms of the motion of an overdamped Brownian particle. On the other hand, active transport requires chemical energy, usually in the form of adenosine triphosphate hydrolysis, and can be direction specific, allowing biomolecules to be transported long distances; this is particularly important in neurons due to their complex geometry. In this review a wide range of analytical methods and models of intracellular transport is presented. In the case of diffusive transport, narrow escape problems, diffusion to a small target, confined and single-file diffusion, homogenization theory, and fractional diffusion are considered. In the case of active transport, Brownian ratchets, random walk models, exclusion processes, random intermittent search processes, quasi-steady-state reduction methods, and mean-field approximations are considered. Applications include receptor trafficking, axonal transport, membrane diffusion, nuclear transport, protein-DNA interactions, virus trafficking, and the self-organization of subcellular structures. © 2013 American Physical Society.

  5. Goods Transport Modelling, Vol 1

    DEFF Research Database (Denmark)

    Petersen, Morten Steen (red.); Kristiansen, Jørgen

    The report is a study of data requirements and methodologies for goods transport. The study is intended to provide the basis for general discussion about the application of goods transport models in Denmark. The report provides an overview of different types of models and data availability....

  6. Indirect Inverse Substructuring Method for Multibody Product Transport System with Rigid and Flexible Coupling

    Directory of Open Access Journals (Sweden)

    Jun Wang

    2015-01-01

    Full Text Available The aim of this paper is to develop a new frequency response function- (FRF- based indirect inverse substructuring method without measuring system-level FRFs in the coupling DOFs for the analysis of the dynamic characteristics of a three-substructure coupled product transport system with rigid and flexible coupling. By enforcing the dynamic equilibrium conditions at the coupling coordinates and the displacement compatibility conditions, a closed-form analytical solution to inverse substructuring analysis of multisubstructure coupled product transport system is derived based on the relationship of easy-to-monitor component-level FRFs and the system-level FRFs at the coupling coordinates. The proposed method is validated by a lumped mass-spring-damper model, and the predicted coupling dynamic stiffness is compared with the direct computation, showing exact agreement. The method developed offers an approach to predict the unknown coupling dynamic stiffness from measured FRFs purely. The suggested method may help to obtain the main controlling factors and contributions from the various structure-borne paths for product transport system.

  7. Anomaly induced transport coefficients, from weak to strong coupling

    CERN Document Server

    Pena-Benitez, Francisco

    2013-01-01

    The existence of new transport phenomena associated to the presence of quantum anomalies has atracted very recently the attention of theorist. These transport coefficient have very interesting properties, for example, they do not renormalize. The most famous case of anomaly induced transport phenomena is the Chiral Magnetic Effect, in which an electric current is produced by a magnetic field if the system has a different number of right handed fermions respect the left handed one. In this thesis we have studied those transport coefficients from Kubo formulas at weak and strong coupling. To finish a fluid/gravity approach is used to compute all the second order anomalous coefficients in an anomalous conformal fluid.

  8. Container Logistic Transport Planning Model

    Directory of Open Access Journals (Sweden)

    Xin Zhang

    2013-05-01

    Full Text Available The study proposed a stochastic method of container logistic transport in order to solve the unreasonable transportation’s problem and overcome the traditional models’ two shortcomings. Container transport has rapidly developed into a modern means of transportation because of their significant advantages. With the development, it also exacerbated the flaws of transport in the original. One of the most important problems was that the invalid transport had not still reduced due to the congenital imbalances of transportation. Container transport exacerbated the invalid transport for the empty containers. To solve the problem, people made many efforts, but they did not make much progress. There had two theoretical flaws by analyzing the previous management methods in container transport. The first one was the default empty containers inevitability. The second one was that they did not overall consider how to solve the problem of empty containers allocation. In order to solve the unreasonable transportation’s problem and overcome the traditional models’ two shortcomings, the study re-built the container transport planning model-gravity model. It gave the general algorithm and has analyzed the final result of model.

  9. BLT-EC (Breach, Leach and Transport-Equilibrium Chemistry) data input guide. A computer model for simulating release and coupled geochemical transport of contaminants from a subsurface disposal facility

    Energy Technology Data Exchange (ETDEWEB)

    MacKinnon, R.J. [Brookhaven National Lab., Upton, NY (United States)]|[Ecodynamic Research Associates, Inc., Albuquerque, NM (United States); Sullivan, T.M.; Kinsey, R.R. [Brookhaven National Lab., Upton, NY (United States)

    1997-05-01

    The BLT-EC computer code has been developed, implemented, and tested. BLT-EC is a two-dimensional finite element computer code capable of simulating the time-dependent release and reactive transport of aqueous phase species in a subsurface soil system. BLT-EC contains models to simulate the processes (container degradation, waste-form performance, transport, chemical reactions, and radioactive production and decay) most relevant to estimating the release and transport of contaminants from a subsurface disposal system. Water flow is provided through tabular input or auxiliary files. Container degradation considers localized failure due to pitting corrosion and general failure due to uniform surface degradation processes. Waste-form performance considers release to be limited by one of four mechanisms: rinse with partitioning, diffusion, uniform surface degradation, and solubility. Transport considers the processes of advection, dispersion, diffusion, chemical reaction, radioactive production and decay, and sources (waste form releases). Chemical reactions accounted for include complexation, sorption, dissolution-precipitation, oxidation-reduction, and ion exchange. Radioactive production and decay in the waste form is simulated. To improve the usefulness of BLT-EC, a pre-processor, ECIN, which assists in the creation of chemistry input files, and a post-processor, BLTPLOT, which provides a visual display of the data have been developed. BLT-EC also includes an extensive database of thermodynamic data that is also accessible to ECIN. This document reviews the models implemented in BLT-EC and serves as a guide to creating input files and applying BLT-EC.

  10. Coupling constant in dispersive model

    Indian Academy of Sciences (India)

    R Saleh-Moghaddam; M E Zomorrodian

    2013-11-01

    The average of the moments for event shapes in + - → hadrons within the context of next-to-leading order (NLO) perturbative QCD prediction in dispersive model is studied. Moments used in this article are $\\langle 1 - T \\rangle, \\langle ρ \\rangle, \\langle B_{T} \\rangle$ and $\\langle B_{W} \\rangle$. We extract , the coupling constant in perturbative theory and α0 in the non-perturbative theory using the dispersive model. By fitting the experimental data, the values of $(M_{Z^{°}})$ = 0.1171 ± 0.00229 and 0 ($_{I} = 2{\\text{GeV}}$) = 0.5068 ± 0.0440 are found. Our results are consistent with the above model. Our results are also consistent with those obtained from other experiments at different energies. All these features are explained in this paper.

  11. Analysis of coupled heat and moisture transport on parallel computers

    Science.gov (United States)

    Koudelka, Tomáš; Krejčí, Tomáš

    2017-07-01

    Coupled analysis of heat and moisture transport in complicated structural elements or in whole structures deserves a special attention because after space discretization, large number of degrees of freedom are needed. This paper describes possible solution of such problems based on domain decomposition methods executed on parallel computers. The Schur complement method is used with respect to nonsymmetric systems of algebraic equations. The method described is an alternative to other methods, e.g. two or more scale homogenization.

  12. Subsurface Uranium Fate and Transport: Integrated Experiments and Modeling of Coupled Biogeochemical Mechanisms of Nanocrystalline Uraninite Oxidation by Fe(III)-(hydr)oxides - Project Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Peyton, Brent M. [Montana State Univ., Bozeman, MT (United States); Timothy, Ginn R. [Univ. of California, Davis, CA (United States); Sani, Rajesh K. [South Dakota School of Mines and Technology, Rapid City, SD (United States)

    2013-08-14

    citrate. To complement to these laboratory studies, we collected U-bearing samples from a surface seep at the Rifle field site and have measured elevated U concentrations in oxic iron-rich sediments. To translate experimental results into numerical analysis of U fate and transport, a reaction network was developed based on Sani et al. (2004) to simulate U(VI) bioreduction with concomitant UO2 reoxidation in the presence of hematite or ferrihydrite. The reduction phase considers SRB reduction (using lactate) with the reductive dissolution of Fe(III) solids, which is set to be microbially mediated as well as abiotically driven by sulfide. Model results show the oxidation of HS– by Fe(III) directly competes with UO2 reoxidation as Fe(III) oxidizes HS– preferentially over UO2. The majority of Fe reduction is predicted to be abiotic, with ferrihydrite becoming fully consumed by reaction with sulfide. Predicted total dissolved carbonate concentrations from the degradation of lactate are elevated (log(pCO2) ~ –1) and, in the hematite system, yield close to two orders-of-magnitude higher U(VI) concentrations than under initial carbonate concentrations of 3 mM. Modeling of U(VI) bioreduction with concomitant reoxidation of UO2 in the presence of ferrihydrite was also extended to a two-dimensional field-scale groundwater flow and biogeochemically reactive transport model for the South Oyster site in eastern Virginia. This model was developed to simulate the field-scale immobilization and subsequent reoxidation of U by a biologically mediated reaction network.

  13. Improved Algorithms and Coupled Neutron-Photon Transport for Auto-Importance Sampling Method

    CERN Document Server

    Wang, Xin; Qiu, Rui; Li, Chun-Yan; Liang, Man-Chun; Zhang, Hui; Li, Jun-Li

    2016-01-01

    Auto-Importance Sampling (AIS) method is a Monte Carlo variance reduction technique proposed by Tsinghua University for deep penetration problem, which can improve computational efficiency significantly without pre-calculations for importance distribution. However AIS method is only validated with several basic deep penetration problems of simple geometries and cannot be used for coupled neutron-photon transport. This paper firstly presented the latest algorithm improvements for AIS method including particle transport, fictitious particles creation and adjustment, fictitious surface geometry, random number allocation and calculation of estimated relative error, which made AIS method applicable to complicated deep penetration problem. Then, a coupled Neutron-Photon Auto-Importance Sampling (NP-AIS) method was proposed to apply AIS method with the improved algorithms in coupled neutron-photon Monte Carlo transport. Finally, the NUREG/CR-6115 PWR benchmark model was calculated with the method of geometry splitti...

  14. Coupled electrothermal modeling of microheaters using SPICE

    Science.gov (United States)

    Swart, Nicholas R.; Nathan, Arokia

    1994-06-01

    A novel simulation approach that computes both the transient and steady state electrothermal behavior in integrated circuit (IC) compatible thermally isolated microheaters is reported. The resulting distribution of heat, current density and temperature, as well as the electrical terminal behavior have been obtained for realistic device structures. The results are based on a two-dimensional solution of the coupled system of partial differential equations that govern both electrical and heat transport in the device. Unlike standard numerical approaches for coupled systems, our technique is based on the behavioural models, available in most commercial circuit simulators (e.g., HSPICE), that allow synthesis of complex, nonlinear, and coupled circuit elements. The simulation results are in excellent agreement with measurement data of steady state and transient terminal characteristics, obtained under conditions of vacuum. We note that this modeling approach allows concurrent simulation (and subsequent optimization) of the performance of both the control electronics as well as the thermal element(s), within the same IC design environment.

  15. Peristaltic Transport of a Couple Stress Fluid : Some Physiological Applications

    CERN Document Server

    Maiti, S

    2010-01-01

    The present paper deals with a theoretical investigation of the peristaltic transport of a couple stress fluid in a porous channel. The study is motivated towards the physiological flow of blood in the micro-circulatory system, by taking account of the particle size effect. The velocity, pressure gradient, stream function and frictional force of blood are investigated, when the Reynolds number is small and the wavelength is large, by using appropriate analytical and numerical methods. Effects of different physical parameters reflecting porosity, Darcy number, couple stress parameter as well as amplitude ratio on velocity profiles, pumping action and frictional force, streamlines pattern and trapping of blood are studied with particular emphasis. The computational results are presented in graphical form. The results are found to be in good agreement with those of Shapiro et. al \\cite{r25} that was carried out for a non-porous channel in the absence of couple stress effect. The present study puts forward an imp...

  16. Electron transport in coupled double quantum wells and wires

    Energy Technology Data Exchange (ETDEWEB)

    Harff, N.E.; Simmons, J.A.; Lyo, S.K. [and others

    1997-04-01

    Due to inter-quantum well tunneling, coupled double quantum wells (DQWs) contain an extra degree of electronic freedom in the growth direction, giving rise to new transport phenomena not found in single electron layers. This report describes work done on coupled DQWs subject to inplane magnetic fields B{sub {parallel}}, and is based on the lead author`s doctoral thesis, successfully defended at Oregon State University on March 4, 1997. First, the conductance of closely coupled DQWs in B{sub {parallel}} is studied. B{sub {parallel}}-induced distortions in the dispersion, the density of states, and the Fermi surface are described both theoretically and experimentally, with particular attention paid to the dispersion anticrossing and resulting partial energy gap. Measurements of giant distortions in the effective mass are found to agree with theoretical calculations. Second, the Landau level spectra of coupled DQWs in tilted magnetic fields is studied. The magnetoresistance oscillations show complex beating as Landau levels from the two Fermi surface components cross the Fermi level. A third set of oscillations resulting from magnetic breakdown is observed. A semiclassical calculation of the Landau level spectra is then performed, and shown to agree exceptionally well with the data. Finally, quantum wires and quantum point contacts formed in DQW structures are investigated. Anticrossings of the one-dimensional DQW dispersion curves are predicted to have interesting transport effects in these devices. Difficulties in sample fabrication have to date prevented experimental verification. However, recently developed techniques to overcome these difficulties are described.

  17. Coupled DEM-CFD Investigation of Granular Transport in a Fluid Channel

    Science.gov (United States)

    Zhao, T.; Dai, F.; Xu, N. W.

    2015-09-01

    This paper presents three dimensional numerical investigations of granular transport in fluids, analysed by the Discrete Element Method (DEM) coupled with Computational Fluid Mechanics (CFD). By employing this model, the relevance of flow velocity and granular depositional morphology has been clarified. The larger the flow velocity is, the further distance the grains can be transported to. In this process, the segregation of solid grains has been clearly identified. This research reveals that coarse grains normally accumulate near the grain source region, while the fine grains can be transported to the flow front. Regardless of the different flow velocities used in these simulations, the intensity of grains segregation remains almost unchanged. The results obtained from the DEM-CFD coupled simulations can reasonably explain the grain transport process occurred in natural environments, such as river scouring, evolution of river/ocean floor, deserts and submarine landslides.

  18. Multi-compartment Aerosol Transport Model

    Energy Technology Data Exchange (ETDEWEB)

    Hubbard, Joshua Allen; Santarpia, Joshua; Brotherton, Christopher M.; Omana, Michael Alexis; Rivera, Danielle; Lucero, Gabriel Anthony

    2017-06-01

    A simple aerosol transport model was developed for a multi-compartmented cleanroom. Each compartment was treated as a well-mixed volume with ventilating supply and return air. Gravitational settling, intercompartment transport, and leakage of exterior air into the system were included in the model. A set of first order, coupled, ordinary differential equations was derived from the conservation equations of aerosol mass and air mass. The system of ODEs was then solved in MATLAB using pre-existing numerical methods. The model was verified against cases of (1) constant inlet-duct concentration, and (2) exponentially decaying inlet-duct concentration. Numerical methods resulted in normalized error of less than 10 -9 when model solutions were compared to analytical solutions. The model was validated against experimental measurements from a single field test and showed good agreement in the shape and magnitude of the aerosol concentration profile with time.

  19. Bioaccessibility, uptake, and transport of carotenoids from peppers (Capsicum spp.) using the coupled in vitro digestion and human intestinal Caco-2 cell model.

    Science.gov (United States)

    O'Sullivan, Laurie; Jiwan, Marvin A; Daly, Trevor; O'Brien, Nora M; Aherne, S Aisling

    2010-05-12

    Spanish bell peppers (Capsicum annuum L.) and chili peppers sourced from Kenya and Turkey were analyzed for their carotenoid content, bioaccessibility, and bioavailability. The order of total carotenoid content in peppers and their respective micelles was red > green > yellow. In terms of cellular carotenoid transport as a percentage of original food and micelle content, the order was yellow peppers > green > red; however, the opposite trend was seen for the actual amount of total carotenoids transported by Caco-2 cells. Although lutein was generally the most abundant carotenoid in the micelles (496.3-1565.7 microg 100 g(-1)), cellular uptake and transport of beta-carotene were the highest, 8.3-31.6 and 16.8-42.7%, respectively. Hence, the actual amount of carotenoids present in the original food and respective micelles seems to reflect the amount transported by Caco-2 cells. Therefore, color influenced the carotenoid profile, bioaccessibility, and bioavailability of carotenoids rather than pepper type.

  20. Examining the impacts of increased corn production on groundwater quality using a coupled modeling system

    Science.gov (United States)

    This study demonstrates the value of a coupled chemical transport modeling system for investigating groundwater nitrate contamination responses associated with nitrogen (N) fertilizer application and increased corn production. The coupled Community Multiscale Air Quality Bidirect...

  1. Comparison of Turbulent Transport Models and Transport Simulation of Internal Transport Barrier Formation

    Science.gov (United States)

    Honda, Mitsuru

    2005-10-01

    In order to predict the performance of ITER plasma, it is important to validate the existing theory-based turbulent transport models by systematicallycomparing them with the experimental observations. Taking experimental data from the ITPA profile database, we have carried out transport simulations with the CDBM, GLF23 and Weiland models by the one-dimensional diffusive transport code TASK/TR. The results are evaluated by the six figures of merit as specified in ITER Physics Basis^1. From the simulation on 55 discharges, it is found that each model has unique dependence on devices and operation modes and the CDBM model gives the most satisfactory results. We have incorporated the dependence on the elongation on the CDBM model^2 and confirmed that the accuracy of the prediction is improved for H-mode discharges. Single-particle-species heat transport simulations have indicated that the CDBM model reproduces Ti profiles more accurately than Te profiles. We will also show the results of the predictive simulations coupling TASK/TR and TASK/EQ, two-dimensional equilibrium code, for high performance plasmas with internal transport barriers like the high βp and reversed shear plasmas. [1] ITER Physics Basis Expert Groups, Nucl. Fusion, 39, 2175 (1999) [2] M. Yagi et al., J. Phys. Soc. Japan, 66, 379 (1997)

  2. On the accuracy of the noninteracting electron approximation for vibrationally coupled electron transport

    Science.gov (United States)

    Wang, Haobin; Thoss, Michael

    2016-12-01

    The accuracy of the noninteracting electron approximation is examined for a model of vibrationally coupled electron transport in single molecule junction. In the absence of electronic-vibrational coupling, steady state transport in this model is described exactly by Landauer theory. Including coupling, both electronic-vibrational and vibrationally induced electron-electron correlation effects may contribute to the real time quantum dynamics. Using the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) theory to describe nuclear dynamics exactly while maintaining the noninteracting electron approximation for the electronic dynamics, the correlation effects are analyzed in different physical regimes. It is shown that although the noninteracting electron approximation may be reasonable for describing short time dynamics, it does not give the correct long time limit for certain initial conditions.

  3. A Coupled Model of Hydro- Transport- Thermal in Variable Saturated Porous Media Considering Geochemical Process%地球化学作用下饱和-非饱和介质水力-传质-传热耦合模型

    Institute of Scientific and Technical Information of China (English)

    姜利国; 梁冰

    2011-01-01

    Geochemical process is one of the fftost important factors influenced fluid movement, solute transport and heat transfer in porous media such as rock and soil. Based on the unsaturated soil theory established by Fredlund, in which the unsaturated soil porous media has been considered as a media which has four phases, assumed the effect of precipitation/dissolution to be an individual phase. With some hypotheses, the porosity and water content of porous media are modified by solute concentration, a new coupled relation between solute transport and hydraulic parameters has been built. The new relation updates the traditional coupled model in which the impact from solute field acts On seepage flow field by only density and viscosity. Here, a coupled model of multi-phases and multi components hydraulic-transport-thermal and geochemical processes in variable saturated porous media is established. Using a infiltrate experiment for reactive coal mine gangue in the laboratory, the coupled numerical model is tested. The results show that the water seepage velocity calculated from experiment matches well the outcome from numerical model which considered the precipitation/dissolution coupling variable. Thus the applicability of the numerical model is verified.%地球化学作用是影响岩土类多孔介质中流体流动、传质、传热的重要因素之一.基于Fredlund所提出的非饱和土四相理论,将地球化学作用所产生的溶解/沉淀视为一个独立相,在一定的假设基础上,利用溶质浓度对介质孔隙度、含水率进行修正,从而建立起传质过程与介质水力性质之间的关系,改进了传统模型中传质过程与流体密度、黏度之间单一的耦合关系;并以此为基础建立了考虑地球化学作用下饱和-非饱和介质中多组分、多相流体渗流场-浓度场-温度场耦合的数学模型.通过在实验室内对反应性煤矸石进行渗透实验的结果对笔者所建模型进行了验证,

  4. Modeling the nitrogen fluxes in the Black Sea using a 3D coupled hydrodynamical-biogeochemical model: transport versus biogeochemical processes, exchanges across the shelf break and comparison of the shelf and deep sea ecodynamics

    NARCIS (Netherlands)

    Grégoire, M.; Beckers, J.M.

    2004-01-01

    A 6-compartment biogeochemical model of nitrogen cycling and plankton productivity has been coupled with a 3D general circulation model in an enclosed environment (the Black Sea) so as to quantify and compare, on a seasonal and annual scale, the typical internal biogeochemical functioning of the she

  5. Modeling the nitrogen fluxes in the Black Sea using a 3D coupled hydrodynamical-biogeochemical model: transport versus biogeochemical processes, exchanges across the shelf break and comparison of the shelf and deep sea ecodynamics

    NARCIS (Netherlands)

    Grégoire, M.; Beckers, J.M.

    2004-01-01

    A 6-compartment biogeochemical model of nitrogen cycling and plankton productivity has been coupled with a 3D general circulation model in an enclosed environment (the Black Sea) so as to quantify and compare, on a seasonal and annual scale, the typical internal biogeochemical functioning of the

  6. On Existence of $L^2$-solutions of Coupled Boltzmann Continuous Slowing Down Transport Equation System

    CERN Document Server

    Tervo, J; Frank, M; Herty, M

    2016-01-01

    The paper considers a coupled system of linear Boltzmann transport equation (BTE), and its Continuous Slowing Down Approximation (CSDA). This system can be used to model the relevant transport of particles used e.g. in dose calculation in radiation therapy. The evolution of charged particles (e.g. electrons and positrons) are in practice often modelled using the CSDA version of BTE because of the so-called forward peakedness of scattering events contributing to the particle fluencies (or particle densities), which causes severe problems for numerical methods. First, we prove the existence and uniqueness of solutions, under sufficient criteria and in appropriate $L^2$-based spaces, of a single (particle) CSDA-equation by using two complementary techniques, the Lions-Lax-Milgram Theorem (variational approach), and the theory evolution operators (semigroup approach). The necessary a priori estimates are shown. In addition, we prove the corresponding results and estimates for the system of coupled transport equat...

  7. Screening for suitable areas for Aquifer Thermal Energy Storage within the Brussels Capital Region, Belgium using coupled groundwater flow and heat transport modelling tools

    Science.gov (United States)

    Anibas, Christian; Kukral, Janik; Touhidul Mustafa, Syed Md; Huysmans, Marijke

    2017-04-01

    Urban areas have a great potential for shallow geothermal systems. Their energy demand is high, but currently they have only a limited potential to cover their own energy demand. The transition towards a low-carbon energy regime offers alternative sources of energy an increasing potential. Urban areas however pose special challenges for the successful exploitation of shallow geothermal energy. High building densities limit the available space for drillings and underground investigations. Urban heat island effects and underground structures influence the thermal field, groundwater pollution and competing water uses limit the available subsurface. To tackle these challenges in the Brussels Capital Region, Belgium two projects 'BruGeo' and the recently finished 'Prospective Research of Brussels project 2015-PRFB-228' address the investigation in urban geothermal systems. They aim to identify the key factors of the underground with respect to Aquifer Thermal Energy Storage (ATES) installations like thermal properties, aquifer thicknesses, groundwater flow velocities and their heterogeneity. Combined numerical groundwater and heat transport models are applied for the assessment of both open and closed loop shallow geothermal systems. The Brussels Capital Region comprises of the Belgian Capital, the City of Brussels and 18 other municipalities covering 161 km2 with almost 1.2 million inhabitants. Beside the high population density the Brussels Capital Region has a pronounced topography and a relative complex geology. This is both a challenge and an opportunity for the exploitation of shallow geothermal energy. The most important shallow hydrogeological formation in the Brussels-Capital Region are the Brussels Sands with the Brussels Sands Aquifer. Scenarios where developed using criteria for the hydrogeological feasibility of ATES installations such as saturated aquifer thickness, groundwater flow velocity and the groundwater head below surface. The Brussels Sands

  8. Variational multiscale models for charge transport.

    Science.gov (United States)

    Wei, Guo-Wei; Zheng, Qiong; Chen, Zhan; Xia, Kelin

    2012-01-01

    This work presents a few variational multiscale models for charge transport in complex physical, chemical and biological systems and engineering devices, such as fuel cells, solar cells, battery cells, nanofluidics, transistors and ion channels. An essential ingredient of the present models, introduced in an earlier paper (Bulletin of Mathematical Biology, 72, 1562-1622, 2010), is the use of differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain from the microscopic domain, meanwhile, dynamically couple discrete and continuum descriptions. Our main strategy is to construct the total energy functional of a charge transport system to encompass the polar and nonpolar free energies of solvation, and chemical potential related energy. By using the Euler-Lagrange variation, coupled Laplace-Beltrami and Poisson-Nernst-Planck (LB-PNP) equations are derived. The solution of the LB-PNP equations leads to the minimization of the total free energy, and explicit profiles of electrostatic potential and densities of charge species. To further reduce the computational complexity, the Boltzmann distribution obtained from the Poisson-Boltzmann (PB) equation is utilized to represent the densities of certain charge species so as to avoid the computationally expensive solution of some Nernst-Planck (NP) equations. Consequently, the coupled Laplace-Beltrami and Poisson-Boltzmann-Nernst-Planck (LB-PBNP) equations are proposed for charge transport in heterogeneous systems. A major emphasis of the present formulation is the consistency between equilibrium LB-PB theory and non-equilibrium LB-PNP theory at equilibrium. Another major emphasis is the capability of the reduced LB-PBNP model to fully recover the prediction of the LB-PNP model at non-equilibrium settings. To account for the fluid impact on the charge transport, we derive coupled Laplace-Beltrami, Poisson-Nernst-Planck and Navier-Stokes equations from the variational principle

  9. Experimental and numerical investigation of the coupling of turbulence and sediment transport over dunes

    Science.gov (United States)

    Schmeeckle, M. W.; Leary, K. P.

    2016-12-01

    We investigate the spatiotemporal coupling of sediment transport over dunes using a turbulence- and particle-resolving numerical model and high-speed video in a laboratory flume. The model utilizes the Large Eddy Simulation (LES) for the fluid turbulence and a Discrete Element Method (DEM) simulation for the sediment. Previous experiments assessing the effects of flow separation on downstream fluid turbulent structures and bedload transport suggest that localized, intermittent, high-magnitude transport events, called permeable splat events, play an important role in both downstream and cross-stream transport near flow reattachment. The flume was lined with 17 concrete ripples that had a 2 cm high crest and were 30 cm long. A high-speed camera observed sediment transport along the entirety of the bedform at 250 Hz. Downstream and vertical fluid velocity was observed at 1mm and 3 mm above the bed using Laser Doppler Velocitmetry (LDV) at 15 distances along bedform profile. As observed in our previous backward-facing step experiments and simulations, mean downstream fluid velocity increases nonlinearly with increasing distance along the ripple. Observed sediment transport, however, increases linearly with increasing distance along the ripple with an exception at the crest of the bedform, where both mean downstream fluid velocity and sediment transport decrease significantly. Previous experiments assessing only the effect of flow separation showed that calculating sediment transport as a function of boundary shear stress using a Meyer-Peter Müller type equation, produced a zone of underestimated transport near flow reattachment. Results reported here show that calculating sediment transport in this way underestimates observed sediment transport along the entire profile of the bedform, not just near flow reattachment. Preliminary sediment transport time-series data show a zone of high-magnitude cross-stream transport near flow reattachment, suggesting that permeable

  10. Isothermal titration calorimetry of ion-coupled membrane transporters.

    Science.gov (United States)

    Boudker, Olga; Oh, SeCheol

    2015-04-01

    Binding of ligands, ranging from proteins to ions, to membrane proteins is associated with absorption or release of heat that can be detected by isothermal titration calorimetry (ITC). Such measurements not only provide binding affinities but also afford direct access to thermodynamic parameters of binding--enthalpy, entropy and heat capacity. These parameters can be interpreted in a structural context, allow discrimination between different binding mechanisms and guide drug design. In this review, we introduce advantages and limitations of ITC as a methodology to study molecular interactions of membrane proteins. We further describe case studies where ITC was used to analyze thermodynamic linkage between ions and substrates in ion-coupled transporters. Similar type of linkage analysis will likely be applicable to a wide range of transporters, channels, and receptors. Copyright © 2015 Elsevier Inc. All rights reserved.

  11. Semiclassical spin transport in spin-orbit-coupled bands.

    Science.gov (United States)

    Culcer, Dimitrie; Sinova, Jairo; Sinitsyn, N A; Jungwirth, T; MacDonald, A H; Niu, Q

    2004-07-23

    Motivated by recent interest in novel spintronics effects, we develop a semiclassical theory of spin transport that is valid for spin-orbit coupled bands. Aside from the obvious convective term in which the average spin is transported at the wave packet group velocity, the spin current has additional contributions from the wave packet's spin and torque dipole moments. Electric field corrections to the group velocity and carrier spin contribute to the convective term. Summing all terms we obtain an expression for the intrinsic spin-Hall conductivity of a hole-doped semiconductor, which agrees with the Kubo formula prediction for the same quantity. We discuss the calculation of spin accumulation, which illustrates the importance of the torque dipole near the boundary of the system.

  12. Modeling and simulations of polymer electrolyte membrane fuel cells with poroelastic approach for coupled liquid water transport and deformation in the membrane

    OpenAIRE

    2010-01-01

    Performance degradation and durability of polymer electrolyte membrane (PEM) fuel cells depend strongly on transport and deformation characteristics of their components especially the polymer membrane. Physical properties of membranes, such as ionic conductivity and Young's modulus, depend on the water content that varies significantly with operating conditions and during transients. Recent studies indicate that cyclic transients may induce hygrothermal fatigue that leads to the ultimate fail...

  13. Modelling of Transport Projects Uncertainties

    DEFF Research Database (Denmark)

    Salling, Kim Bang; Leleur, Steen

    2009-01-01

    This paper proposes a new way of handling the uncertainties present in transport decision making based on infrastructure appraisals. The paper suggests to combine the principle of Optimism Bias, which depicts the historical tendency of overestimating transport related benefits and underestimating...... investment costs, with a quantitative risk analysis based on Monte Carlo simulation and to make use of a set of exploratory scenarios. The analysis is carried out by using the CBA-DK model representing the Danish standard approach to socio-economic cost-benefit analysis. Specifically, the paper proposes......-based graphs which function as risk-related decision support for the appraised transport infrastructure project....

  14. Next Generation Transport Phenomenology Model

    Science.gov (United States)

    Strickland, Douglas J.; Knight, Harold; Evans, J. Scott

    2004-01-01

    This report describes the progress made in Quarter 3 of Contract Year 3 on the development of Aeronomy Phenomenology Modeling Tool (APMT), an open-source, component-based, client-server architecture for distributed modeling, analysis, and simulation activities focused on electron and photon transport for general atmospheres. In the past quarter, column emission rate computations were implemented in Java, preexisting Fortran programs for computing synthetic spectra were embedded into APMT through Java wrappers, and work began on a web-based user interface for setting input parameters and running the photoelectron and auroral electron transport models.

  15. Correlation-driven transport asymmetries through coupled spins in a tunnel junction

    Science.gov (United States)

    Muenks, Matthias; Jacobson, Peter; Ternes, Markus; Kern, Klaus

    2017-01-01

    Spin-spin correlations can be the driving force that favours certain ground states and are key in numerous models that describe the behaviour of strongly correlated materials. While the sum of collective correlations usually lead to a macroscopically measurable change in properties, a direct quantification of correlations in atomic scale systems is difficult. Here we determine the correlations between a strongly hybridized spin impurity on the tip of a scanning tunnelling microscope and its electron bath by varying the coupling to a second spin impurity weakly hybridized to the sample surface. Electronic transport through these coupled spins reveals an asymmetry in the differential conductance reminiscent of spin-polarized transport in a magnetic field. We show that at zero field, this asymmetry can be controlled by the coupling strength and is related to either ferromagnetic or antiferromagnetic spin-spin correlations in the tip.

  16. Principle of Cross Coupling Between Vertical Heat Turbulent Transport and Vertical Velocity and Determination of Cross Coupling Coefficient

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    It has been proved that there exists a cross coupling between vertical heat turbulent transport and vertical velocity by using linear thermodynamics. This result asserts that the vertical component of heat turbulent transport flux is composed of both the transport of the vertical potential temperature gralient and the coupling transport of the vertical velocity. In this paper, the coupling effect of vertical velocity on vertical heat turbulent transportation is validated by using observed data from the atmospheric boundary layer to determine cross coupling coefficients, and a series of significant properties of turbulent transportation are opened out. These properties indicate that the cross coupling coefficient is a logarithm function of the dimensionless vertical velocity and dimensionless height, and is not only related to the friction velocity u*,but also to the coupling roughness height zwo and the coupling temperature Two of the vertical velocity.In addition, the function relations suggest that only when the vertical velocity magnitude conforms to the limitation |W/u* | ≠ 1, and is above the level zwo, then the vertical velocity leads to the cross coupling effect on the vertical heat turbulent transport flux. The cross coupling theory and experimental results provide a challenge to the traditional turbulent K closure theory and the Monin-Obukhov similarity theory.

  17. CFEST Coupled Flow, Energy & Solute Transport Version CFEST005 Theory Guide

    Energy Technology Data Exchange (ETDEWEB)

    Freedman, Vicky L.; Chen, Yousu; Gupta, Sumant K.

    2005-11-01

    This document presents the mathematical theory implemented in the CFEST (Coupled Flow, Energy, and Solute Transport) simulator. The simulator is a three-dimensional finite element model that can be used for evaluating flow and solute mass transport. Although the theory for thermal transport is presented in this guide, it has not yet been fully implemented in the simulator. The flow module is capable of simulating both confined and unconfined aquifer systems, as well as constant and variable density fluid flows. For unconfined aquifers, the model uses a moving boundary for the water table, deforming the numerical mesh so that the uppermost nodes are always at the water table. For solute transport, changes in concentration of a single dissolved chemical constituent are computed for advective and hydrodynamic transport, linear sorption represented by a retardation factor, and radioactive decay. Once fully implemented, transport of thermal energy in the groundwater and solid matrix of the aquifer can also be used to model aquifer thermal regimes. Mesh construction employs “collapsible”, hexahedral finite elements in a three-dimensional coordinate system. CFEST uses the Galerkin finite element method to convert the partial differential equations to algebraic form. To solve the coupled equations for momentum, solute and heat transport, either Picard or Newton-Raphson iterative schemes are used to treat nonlinearities. An upstream weighted residual finite-element method is used to solve the advective-dispersive transport and energy transfer equations, which circumvents problems of numerical oscillation problems. Matrix solutions of the flow and transport problems are performed using efficient iterative solvers available in ITPACK and PETSc, solvers that are available in the public domain. These solvers are based on the preconditioned conjugate gradient and ORTHOMIN methods for symmetric and a nonsymmetric matrices, respectively.

  18. A multilingual programming model for coupled systems.

    Energy Technology Data Exchange (ETDEWEB)

    Ong, E. T.; Larson, J. W.; Norris, B.; Tobis, M.; Steder, M.; Jacob, R. L.; Mathematics and Computer Science; Univ. of Wisconsin; Univ. of Chicago; The Australian National Univ.

    2008-01-01

    Multiphysics and multiscale simulation systems share a common software requirement-infrastructure to implement data exchanges between their constituent parts-often called the coupling problem. On distributed-memory parallel platforms, the coupling problem is complicated by the need to describe, transfer, and transform distributed data, known as the parallel coupling problem. Parallel coupling is emerging as a new grand challenge in computational science as scientists attempt to build multiscale and multiphysics systems on parallel platforms. An additional coupling problem in these systems is language interoperability between their constituent codes. We have created a multilingual parallel coupling programming model based on a successful open-source parallel coupling library, the Model Coupling Toolkit (MCT). This programming model's capabilities reach beyond MCT's native Fortran implementation to include bindings for the C++ and Python programming languages. We describe the method used to generate the interlanguage bindings. This approach enables an object-based programming model for implementing parallel couplings in non-Fortran coupled systems and in systems with language heterogeneity. We describe the C++ and Python versions of the MCT programming model and provide short examples. We report preliminary performance results for the MCT interpolation benchmark. We describe a major Python application that uses the MCT Python bindings, a Python implementation of the control and coupling infrastructure for the community climate system model. We conclude with a discussion of the significance of this work to productivity computing in multidisciplinary computational science.

  19. Interplay of vacuolar transporters for coupling primary and secondary active transport

    Directory of Open Access Journals (Sweden)

    Michèle Siek

    2016-10-01

    Full Text Available Secondary active transporters are driven by the proton motif force which is generated by primary active transporters such as the vacuolar proton pumps V-ATPase and V-PPase. The vacuole occupies up to 90 % of the mature cell and acidification of the vacuolar lumen is a challenging and energy-consuming task for the plant cell. Therefore, a direct coupling of primary and secondary active transporters is expected to enhance transport efficiency and to reduce energy consumption by transport processes across the tonoplast. This has been addressed by analyzing physical and functional interactions between the V-ATPase and a selection of vacuolar transporters including the primary active proton pump AVP1, the calcium ion/proton exchanger CAX1, the potassium ion/proton symporter KUP5, the sodium ion/proton exchanger NHX1, and the anion/proton exchanger CLC-c. Physical interaction was demonstrated in vivo for the V-ATPase and the secondary active transporters CAX1 and CLC-c, which are responsible for calcium- and anion-accumulation in the vacuole, respectively. Measurements of V-ATPase activity and vacuolar pH revealed a functional interaction of V-ATPase and CAX1, CLC-c that is likely caused by the observed physical interaction. The complex of the V-ATPase further interacts with the nitrate reductase 2, and as a result, nitrate assimilation is directly linked to the energization of vacuolar nitrate accumulation by secondary active anion/proton exchangers.

  20. Mathematical modeling of kidney transport.

    Science.gov (United States)

    Layton, Anita T

    2013-01-01

    In addition to metabolic waste and toxin excretion, the kidney also plays an indispensable role in regulating the balance of water, electrolytes, nitrogen, and acid-base. In this review, we describe representative mathematical models that have been developed to better understand kidney physiology and pathophysiology, including the regulation of glomerular filtration, the regulation of renal blood flow by means of the tubuloglomerular feedback mechanisms and of the myogenic mechanism, the urine concentrating mechanism, epithelial transport, and regulation of renal oxygen transport. We discuss the extent to which these modeling efforts have expanded our understanding of renal function in both health and disease.

  1. Thermoelectric transport properties through a single-walled zig–zag carbon nanotube side coupled to a correlated quantum dot: Atomic approach for the finite U-impurity Anderson model

    Energy Technology Data Exchange (ETDEWEB)

    Ramos, Edwin, E-mail: eramosr@unal.edu.co [Departamento de Física, Universidad Nacional de Colombia (UNAL), A. A. 5997, Bogotá (Colombia); Franco, Roberto, E-mail: rfrancop@unal.edu.co [Departamento de Física, Universidad Nacional de Colombia (UNAL), A. A. 5997, Bogotá (Colombia); Instituto de Física de São Carlos-Universidade de São Paulo (IFSC-USP), 369 São Carlos, São Paulo (Brazil); Silva-Valencia, Jereson [Departamento de Física, Universidad Nacional de Colombia (UNAL), A. A. 5997, Bogotá (Colombia); Figueira, Marcos Sergio [Instituto de Física, Universidade Federal Fluminense (IF-UFF), Avenida litorânea s/n, CEP 24210-346, Niterói, Rio de Janeiro (Brazil)

    2014-12-15

    We study the thermopower S, linear thermal conductance κ, linear electric conductance G and thermoelectric figure of merit Z properties of a single-walled zig–zag carbon nanotube side coupled to a correlated quantum dot (QD). We employ the recently developed U-finite atomic approach for the Single Impurity Anderson model (SIAM). The quantum dot is linked to the localized states in the model, considering a finite Coulombic repulsion U, and the conduction band in the model is associated with the single walled zig–zag metallic carbon nanotube (n=3), and is described by a tight-binding approximation in order to obtain Green's function of the nanotube. The thermoelectric transport coefficients were obtained using the Keldysh non-equilibrium Green's function technique with the Onsager relation in the linear regime automatically satisfied. Results indicate that this system can be employed in possible thermoelectric device applications at low temperatures when strong charge fluctuations are present in the QD.

  2. Transport of quantum excitations coupled to spatially extended nonlinear many-body systems

    Science.gov (United States)

    Iubini, Stefano; Boada, Octavi; Omar, Yasser; Piazza, Francesco

    2015-11-01

    The role of noise in the transport properties of quantum excitations is a topic of great importance in many fields, from organic semiconductors for technological applications to light-harvesting complexes in photosynthesis. In this paper we study a semi-classical model where a tight-binding Hamiltonian is fully coupled to an underlying spatially extended nonlinear chain of atoms. We show that the transport properties of a quantum excitation are subtly modulated by (i) the specific type (local versus non-local) of exciton-phonon coupling and by (ii) nonlinear effects of the underlying lattice. We report a non-monotonic dependence of the exciton diffusion coefficient on temperature, in agreement with earlier predictions, as a direct consequence of the lattice-induced fluctuations in the hopping rates due to long-wavelength vibrational modes. A standard measure of transport efficiency confirms that both nonlinearity in the underlying lattice and off-diagonal exciton-phonon coupling promote transport efficiency at high temperatures, preventing the Zeno-like quench observed in other models lacking an explicit noise-providing dynamical system.

  3. Influence of lateral and top boundary conditions on regional air quality prediction: A multiscale study coupling regional and global chemical transport models

    Science.gov (United States)

    Tang, Youhua; Carmichael, Gregory R.; Thongboonchoo, Narisara; Chai, Tianfeng; Horowitz, Larry W.; Pierce, Robert B.; Al-Saadi, Jassim A.; Pfister, Gabriele; Vukovich, Jeffrey M.; Avery, Melody A.; Sachse, Glen W.; Ryerson, Thomas B.; Holloway, John S.; Atlas, Elliot L.; Flocke, Frank M.; Weber, Rodney J.; Huey, L. Gregory; Dibb, Jack E.; Streets, David G.; Brune, William H.

    2007-05-01

    The sensitivity of regional air quality model to various lateral and top boundary conditions is studied at 2 scales: a 60 km domain covering the whole USA and a 12 km domain over northeastern USA. Three global models (MOZART-NCAR, MOZART-GFDL and RAQMS) are used to drive the STEM-2K3 regional model with time-varied lateral and top boundary conditions (BCs). The regional simulations with different global BCs are examined using ICARTT aircraft measurements performed in the summer of 2004, and the simulations are shown to be sensitive to the boundary conditions from the global models, especially for relatively long-lived species, like CO and O3. Differences in the mean CO concentrations from three different global-model boundary conditions are as large as 40 ppbv, and the effects of the BCs on CO are shown to be important throughout the troposphere, even near surface. Top boundary conditions show strong effect on O3 predictions above 4 km. Over certain model grids, the model's sensitivity to BCs is found to depend not only on the distance from the domain's top and lateral boundaries, downwind/upwind situation, but also on regional emissions and species properties. The near-surface prediction over polluted area is usually not as sensitive to the variation of BCs, but to the magnitude of their background concentrations. We also test the sensitivity of model to temporal and spatial variations of the BCs by comparing the simulations with time-varied BCs to the corresponding simulations with time-mean and profile BCs. Removing the time variation of BCs leads to a significant bias on the variation prediction and sometime causes the bias in predicted mean values. The effect of model resolution on the BC sensitivity is also studied.

  4. Experimental & Numerical Modeling of Non-combusting Model Firebrands' Transport

    Science.gov (United States)

    Tohidi, Ali; Kaye, Nigel

    2016-11-01

    Fire spotting is one of the major mechanisms of wildfire spread. Three phases of this phenomenon are firebrand formation and break-off from burning vegetation, lofting and downwind transport of firebrands through the velocity field of the wildfire, and spot fire ignition upon landing. The lofting and downwind transport phase is modeled by conducting large-scale wind tunnel experiments. Non-combusting rod-like model firebrands with different aspect ratios are released within the velocity field of a jet in a boundary layer cross-flow that approximates the wildfire velocity field. Characteristics of the firebrand dispersion are quantified by capturing the full trajectory of the model firebrands using the developed image processing algorithm. The results show that the lofting height has a direct impact on the maximum travel distance of the model firebrands. Also, the experimental results are utilized for validation of a highly scalable coupled stochastic & parametric firebrand flight model that, couples the LES-resolved velocity field of a jet-in-nonuniform-cross-flow (JINCF) with a 3D fully deterministic 6-degrees-of-freedom debris transport model. The validation results show that the developed numerical model is capable of estimating average statistics of the firebrands' flight. Authors would like to thank support of the National Science Foundation under Grant No. 1200560. Also, the presenter (Ali Tohid) would like to thank Dr. Michael Gollner from the University of Maryland College Park for the conference participation support.

  5. Development, Testing, and Application of a Coupled Hydrodynamic Surface-Water/Groundwater Model (FTLOADDS) with Heat and Salinity Transport in the Ten Thousand Islands/Picayune Strand Restoration Project Area, Florida

    Science.gov (United States)

    Swain, Eric D.; Decker, Jeremy D.

    2009-01-01

    A numerical model application was developed for the coastal area inland of the Ten Thousand Islands (TTI) in southwestern Florida using the Flow and Transport in a Linked Overland/Aquifer Density-Dependent System (FTLOADDS) model. This model couples a two-dimensional dynamic surface-water model with a three-dimensional groundwater model, and has been applied to several locations in southern Florida. The model application solves equations for salt transport in groundwater and surface water, and also simulates surface-water temperature using a newly enhanced heat transport algorithm. One of the purposes of the TTI application is to simulate hydrologic factors that relate to habitat suitability for the West Indian Manatee. Both salinity and temperature have been shown to be important factors for manatee survival. The inland area of the TTI domain is the location of the Picayune Strand Restoration Project, which is designed to restore predevelopment hydrology through the filling and plugging of canals, construction of spreader channels, and the construction of levees and pump stations. The effects of these changes are simulated to determine their effects on manatee habitat. The TTI application utilizes a large amount of input data for both surface-water and groundwater flow simulations. These data include topography, frictional resistance, atmospheric data including rainfall and air temperature, aquifer properties, and boundary conditions for tidal levels, inflows, groundwater heads, and salinities. Calibration was achieved by adjusting the parameters having the largest uncertainty: surface-water inflows, the surface-water transport dispersion coefficient, and evapotranspiration. A sensitivity analysis did not indicate that further parameter changes would yield an overall improvement in simulation results. The agreement between field data from GPS-tracked manatees and TTI application results demonstrates that the model can predict the salinity and temperature

  6. Effective Potential Theory: A Practical Way to Extend Plasma Transport Theory to Strong Coupling

    CERN Document Server

    Baalrud, Scott D; Daligault, Jerome

    2014-01-01

    The effective potential theory is a physically motivated method for extending traditional plasma transport theories to stronger coupling. It is practical in the sense that it is easily incorporated within the framework of the Chapman-Enskog or Grad methods that are commonly applied in plasma physics and it is computationally efficient to evaluate. The extension is to treat binary scatterers as interacting through the potential of mean force, rather than the bare Coulomb or Debye-screened Coulomb potential. This allows for aspects of many-body correlations to be included in the transport coefficients. Recent work has shown that this method accurately extends plasma theory to orders of magnitude stronger coupling when applied to the classical one-component plasma model. The present work shows that similar accuracy is realized for the Yukawa one-component plasma model and it provides a comparison with other approaches.

  7. Modular structure of sodium-coupled bicarbonate transporters

    Science.gov (United States)

    Boron, Walter F.; Chen, Liming; Parker, Mark D.

    2009-01-01

    Summary Mammalian genomes contain 10 SLC4 genes that, between them, encode three Cl–HCO3 exchangers, five Na+-coupled HCO3 transporters (NCBTs), one reported borate transporter, and what is reported to be a fourth Cl–HCO3 exchanger. The NCBTs are expressed throughout the body and play important roles in maintaining intracellular and whole-body pH, as well as contributing to transepithelial transport processes. The importance of NCBTs is underscored by the genetic association of dysfunctional NCBT genes with blindness, deafness, epilepsy, hypertension and metal retardation. Key to understanding the action and regulation of NCBTs is an appreciation of the diversity of NCBT gene products. The transmembrane domains of human NCBT paralogs are 50–84% identical to each other at the amino acid level, and are capable of a diverse range of actions, including electrogenic Na/HCO3 cotransport (i.e. NBCe1 and NBCe2) and electroneutral Na/HCO3 cotransport (i.e. NBCn1 and NBCn2), as well as Na+-dependent Cl–HCO3 exchange (i.e. NDCBE). Furthermore, by the use of alternative promoters and alternative-splicing events, individual SLC4 genes have the potential to generate multiple splice variants (as many as 16 in the case of NBCn1), each of which could have unique temporal and spatial patterns of distribution, unitary transporter activity (i.e. flux mediated by one molecule), array of protein-binding partners, and complement of regulatory stimuli. In the first section of this review, we summarize our present knowledge of the function and distribution of mammalian NCBTs and their multiple variants. In the second section of this review we consider the molecular consequences of NCBT variation. PMID:19448079

  8. Recovery Act: An Integrated Experimental and Numerical Study: Developing a Reaction Transport Model that Couples Chemical Reactions of Mineral Dissolution/Precipitation with Spatial and Temporal Flow Variations.

    Energy Technology Data Exchange (ETDEWEB)

    Saar, Martin O. [ETH Zurich (Switzerland); Univ. of Minnesota, Minneapolis, MN (United States); Seyfried, Jr., William E. [Univ. of Minnesota, Minneapolis, MN (United States); Longmire, Ellen K. [Univ. of Minnesota, Minneapolis, MN (United States)

    2016-06-24

    A total of 12 publications and 23 abstracts were produced as a result of this study. In particular, the compilation of a thermodynamic database utilizing consistent, current thermodynamic data is a major step toward accurately modeling multi-phase fluid interactions with solids. Existing databases designed for aqueous fluids did not mesh well with existing solid phase databases. Addition of a second liquid phase (CO2) magnifies the inconsistencies between aqueous and solid thermodynamic databases. Overall, the combination of high temperature and pressure lab studies (task 1), using a purpose built apparatus, and solid characterization (task 2), using XRCT and more developed technologies, allowed observation of dissolution and precipitation processes under CO2 reservoir conditions. These observations were combined with results from PIV experiments on multi-phase fluids (task 3) in typical flow path geometries. The results of the tasks 1, 2, and 3 were compiled and integrated into numerical models utilizing Lattice-Boltzmann simulations (task 4) to realistically model the physical processes and were ultimately folded into TOUGH2 code for reservoir scale modeling (task 5). Compilation of the thermodynamic database assisted comparisons to PIV experiments (Task 3) and greatly improved Lattice Boltzmann (Task 4) and TOUGH2 simulations (Task 5). PIV (Task 3) and experimental apparatus (Task 1) have identified problem areas in TOUGHREACT code. Additional lab experiments and coding work has been integrated into an improved numerical modeling code.

  9. Line photon transport in a non-homogeneous plasma using radiative coupling coefficients

    Energy Technology Data Exchange (ETDEWEB)

    Florido, R.; Gil, J.M.; Rodriguez, R.; Rubiano, J.G.; Martel, P. [Las Palmas de Gran Canaria Univ., Dept. de Fisica (Spain); Florido, R.; Gil, J.M.; Rodriguez, R.; Rubiano, J.G.; Martel, P.; Minguez, E. [Madrid Univ. Politecnica, Instituto de Fusion Nuclear-DENIM (Spain)

    2006-06-15

    We present a steady-state collisional-radiative model for the calculation of level populations in non-homogeneous plasmas with planar geometry. The line photon transport is taken into account following an angle- and frequency-averaged escape probability model. Several models where the same approach has been used can be found in the literature, but the main difference between our model and those ones is that the details of geometry are exactly treated in the definition of coupling coefficients and a local profile is taken into account in each plasma cell. (authors)

  10. Final Report Coupled In Silico Microbial and Geochemical Reactive Transport Models: Extension to Multi-Organism Communities, Upscaling, and Experimental Validation

    Energy Technology Data Exchange (ETDEWEB)

    Lovley, Derek R.

    2014-03-05

    The project was highly successful in improving the understanding of physiological and ecological factors controlling the growth and interaction of subsurface microorganisms and in developing better strategies for in silico modeling of the interactions of subsurface microorganisms with other species and their environment.

  11. Generalized coupling in the Kuramoto model

    DEFF Research Database (Denmark)

    Filatrella, G.; Pedersen, Niels Falsig; Wiesenfeld, K.

    2007-01-01

    We propose a modification of the Kuramoto model to account for the effective change in the coupling constant among the oscillators, as suggested by some experiments on Josephson junction, laser arrays, and mechanical systems, where the active elements are turned on one by one. The resulting model...... with the behavior of Josephson junctions coupled via a cavity....

  12. Quantum transport through a molecule coupled to a mesoscopic ring: A theoretical study

    OpenAIRE

    Maiti, Santanu K.

    2009-01-01

    Transport through a molecule sandwiched between two metallic electrodes and coupled to a mesoscopic ring that threads a magnetic flux $\\phi$ is studied. An analytic approach for the electron transport through the molecular bridge system is presented. Electronic transport properties are discussed in two aspects: (a) presence of external magnetic filed and (b) strength of molecule-to-electrode coupling.

  13. Salt-bridge Swapping in the EXXERFXYY Motif of Proton Coupled Oligopeptide Transporters

    DEFF Research Database (Denmark)

    Aduri, Nanda G; Prabhala, Bala K; Ernst, Heidi A

    2015-01-01

    Proton-coupled oligopeptide transporters (POTs) couple the inwards transport of di- or tripeptides with an inwards-directed transport of protons. Evidence from several studies of different POTs have pointed towards involvement of a highly conserved sequence motif, E1XXE2RFXYY (from here on referr...

  14. Mechanism of coupling drug transport reactions located in two different membranes

    Directory of Open Access Journals (Sweden)

    Helen I. Zgurskaya

    2015-02-01

    Full Text Available Gram- negative bacteria utilize a diverse array of multidrug transporters to pump toxic compounds out of cells. Some transporters together with periplasmic membrane fusion proteins (MFPs and outer membrane channels assemble trans-envelope complexes that expel multiple antibiotics across outer membranes of Gram-negative bacteria and into the external medium. Others further potentiate this efflux by pumping drugs across the inner membrane into the periplasm. Together these transporters create a powerful network of efflux that protect bacteria against a broad range of antimicrobial agents. This review is focused on the mechanism of coupling transport reactions located in two different membranes of Gram-negative bacteria. Using a combination of biochemical, genetic and biophysical approaches we have reconstructed the sequence of events leading to the assembly of trans-envelope drug efflux complexes and characterized the roles of periplasmic and outer membrane proteins in this process. Our recent data suggest a critical step in the activation of intermembrane efflux pumps, which is controlled by MFPs. We propose that the reaction cycles of transporters are tightly coupled to the assembly of the trans-envelope complexes. Transporters and MFPs exist in the inner membrane as dormant complexes. The activation of complexes is triggered by MFP binding to the outer membrane channel, which leads to a conformational change in the membrane proximal domain of MFP needed for stimulation of transporters. The activated MFP-transporter complex engages the outer membrane channel to expel substrates across the outer membrane. The recruitment of the channel is likely triggered by binding of effectors (substrates to MFP or MFP-transporter complexes. This model together with recent structural and functional advances in the field of drug efflux provides a fairly detailed understanding of the mechanism of drug efflux across the two membranes.

  15. Electronic transport through a quantum ring coupled to ferromagnetic leads

    Institute of Scientific and Technical Information of China (English)

    Chi Feng; Sun Lian-Liang; Huang Ling; Zhao Jia

    2011-01-01

    We study the spin-dependent transport through a one-dimensional quantum ring with taking both the Rashba spin-orbit coupling (RSOC) and ferromagnetic leads into consideration. The linear conductance is obtained by the Green's function method. We find that due to the quantum interference effect arising from the RSOC-induced spin precession phase and the difference in travelling phase between the two arms of the ring, the conductance becomes spin-polarized even in the antiparallel magnetic configuration of the two leads, which is different from the case in single conduction channel system. The linear conductance, the spin polarization and the tunnel magnetoresistance are periodic functions of the two phases, and can be efficiently tuned by the structure parameters.

  16. Convectively coupled Kelvin waves in CMIP5 coupled climate models

    Science.gov (United States)

    Wang, Lu; Li, Tim

    2016-04-01

    This study provided a quantitative evaluation of convectively coupled Kelvin waves (CCKWs) over the Indian Ocean and the Pacific Ocean simulated by 20 coupled climate models that participated in Coupled Model Intercomparison Project phase 5. The two leading empirical orthogonal function (EOF) modes of filtered daily precipitation anomalies are used to represent the eastward propagating CCKWs in both observations and simulations. The eigenvectors and eigenvalues of the EOF modes represent the spatial patterns and intensity of CCKWs respectively, and the lead-lag relationship between the two EOF principle components describe the phase propagation of CCKWs. A non-dimensional metric was designed in consideration of all the three factors (i.e., pattern, amplitude and phase propagation) for evaluation. The relative rankings of the models based on the skill scores calculated by the metric are conducted for the Indian Ocean and the Pacific Ocean, respectively. Two models (NorESM1-M and MPI-ESM-LR) are ranked among the best 20 % for both the regions. Three models (inmcm4, MRI-CGCM3 and HadGEM2-ES) are ranked among the worst 20 % for both the regions. While the observed CCKW amplitude is greater north of the equator in the Pacific, some models overestimate the CCKW ampliutde in the Southern Hemisphere. This bias is related to the mean state precipitation bias along the south Pacific convergence zone.

  17. Convectively coupled Kelvin waves in CMIP5 coupled climate models

    Science.gov (United States)

    Wang, Lu; Li, Tim

    2017-02-01

    This study provided a quantitative evaluation of convectively coupled Kelvin waves (CCKWs) over the Indian Ocean and the Pacific Ocean simulated by 20 coupled climate models that participated in Coupled Model Intercomparison Project phase 5. The two leading empirical orthogonal function (EOF) modes of filtered daily precipitation anomalies are used to represent the eastward propagating CCKWs in both observations and simulations. The eigenvectors and eigenvalues of the EOF modes represent the spatial patterns and intensity of CCKWs respectively, and the lead-lag relationship between the two EOF principle components describe the phase propagation of CCKWs. A non-dimensional metric was designed in consideration of all the three factors (i.e., pattern, amplitude and phase propagation) for evaluation. The relative rankings of the models based on the skill scores calculated by the metric are conducted for the Indian Ocean and the Pacific Ocean, respectively. Two models (NorESM1-M and MPI-ESM-LR) are ranked among the best 20 % for both the regions. Three models (inmcm4, MRI-CGCM3 and HadGEM2-ES) are ranked among the worst 20 % for both the regions. While the observed CCKW amplitude is greater north of the equator in the Pacific, some models overestimate the CCKW ampliutde in the Southern Hemisphere. This bias is related to the mean state precipitation bias along the south Pacific convergence zone.

  18. Bayesian Model comparison of Higgs couplings

    CERN Document Server

    Bergstrom, Johannes

    2014-01-01

    We investigate the possibility of contributions from physics beyond the Standard Model (SM) to the Higgs couplings, in the light of the LHC data. The work is performed within an interim framework where the magnitude of the Higgs production and decay rates are rescaled though Higgs coupling scale factors. We perform Bayesian parameter inference on these scale factors, concluding that there is good compatibility with the SM. Furthermore, we carry out Bayesian model comparison on all models where any combination of scale factors can differ from their SM values and find that typically models with fewer free couplings are strongly favoured. We consider the evidence that each coupling individually equals the SM value, making the minimal assumptions on the other couplings. Finally, we make a comparison of the SM against a single "not-SM" model, and find that there is moderate to strong evidence for the SM.

  19. Momentum transport in strongly coupled anisotropic plasmas in the presence of strong magnetic fields

    CERN Document Server

    Finazzo, Stefano Ivo; Rougemont, Romulo; Noronha, Jorge

    2016-01-01

    We present a holographic perspective on momentum transport in strongly coupled, anisotropic non-Abelian plasmas in the presence of strong magnetic fields. We compute the anisotropic heavy quark drag forces and Langevin diffusion coefficients and also the anisotropic shear viscosities for two different holographic models, namely, a top-down deformation of strongly coupled $\\mathcal{N} = 4$ Super-Yang-Mills (SYM) theory triggered by an external Abelian magnetic field, and a bottom-up Einstein-Maxwell-dilaton (EMD) model which is able to provide a quantitative description of lattice QCD thermodynamics with $(2+1)$-flavors at both zero and nonzero magnetic fields. We find that, in general, energy loss and momentum diffusion through strongly coupled anisotropic plasmas are enhanced by a magnetic field being larger in transverse directions than in the direction parallel to the magnetic field. Moreover, the anisotropic shear viscosity coefficient is smaller in the direction of the magnetic field than in the plane pe...

  20. Conformational cycle and ion-coupling mechanism of the Na+/hydantoin transporter Mhp1.

    Science.gov (United States)

    Kazmier, Kelli; Sharma, Shruti; Islam, Shahidul M; Roux, Benoît; Mchaourab, Hassane S

    2014-10-14

    Ion-dependent transporters of the LeuT-fold couple the uptake of physiologically essential molecules to transmembrane ion gradients. Defined by a conserved 5-helix inverted repeat that encodes common principles of ion and substrate binding, the LeuT-fold has been captured in outward-facing, occluded, and inward-facing conformations. However, fundamental questions relating to the structural basis of alternating access and coupling to ion gradients remain unanswered. Here, we used distance measurements between pairs of spin labels to define the conformational cycle of the Na(+)-coupled hydantoin symporter Mhp1 from Microbacterium liquefaciens. Our results reveal that the inward-facing and outward-facing Mhp1 crystal structures represent sampled intermediate states in solution. Here, we provide a mechanistic context for these structures, mapping them into a model of transport based on ion- and substrate-dependent conformational equilibria. In contrast to the Na(+)/leucine transporter LeuT, our results suggest that Na(+) binding at the conserved second Na(+) binding site does not change the energetics of the inward- and outward-facing conformations of Mhp1. Comparative analysis of ligand-dependent alternating access in LeuT and Mhp1 lead us to propose that different coupling schemes to ion gradients may define distinct conformational mechanisms within the LeuT-fold class.

  1. Modelling of Transport Projects Uncertainties

    DEFF Research Database (Denmark)

    Salling, Kim Bang; Leleur, Steen

    2012-01-01

    This paper proposes a new way of handling the uncertainties present in transport decision making based on infrastructure appraisals. The paper suggests to combine the principle of Optimism Bias, which depicts the historical tendency of overestimating transport related benefits and underestimating...... investment costs, with a quantitative risk analysis based on Monte Carlo simulation and to make use of a set of exploratory scenarios. The analysis is carried out by using the CBA-DK model representing the Danish standard approach to socio-economic cost-benefit analysis. Specifically, the paper proposes......-based graphs which functions as risk-related decision support for the appraised transport infrastructure project. The presentation of RSF is demonstrated by using an appraisal case concerning a new airfield in the capital of Greenland, Nuuk....

  2. Spin transport at interfaces with spin-orbit coupling: Formalism

    Science.gov (United States)

    Amin, V. P.; Stiles, M. D.

    2016-09-01

    We generalize magnetoelectronic circuit theory to account for spin transfer to and from the atomic lattice via interfacial spin-orbit coupling. This enables a proper treatment of spin transport at interfaces between a ferromagnet and a heavy-metal nonmagnet. This generalized approach describes spin transport in terms of drops in spin and charge accumulations across the interface (as in the standard approach), but additionally includes the responses from in-plane electric fields and offsets in spin accumulations. A key finding is that in-plane electric fields give rise to spin accumulations and spin currents that can be polarized in any direction, generalizing the Rashba-Edelstein and spin Hall effects. The spin accumulations exert torques on the magnetization at the interface when they are misaligned from the magnetization. The additional out-of-plane spin currents exert torques via the spin-transfer mechanism on the ferromagnetic layer. To account for these phenomena we also describe spin torques within the generalized circuit theory. The additional effects included in this generalized circuit theory suggest modifications in the interpretations of experiments involving spin-orbit torques, spin pumping, spin memory loss, the Rashba-Edelstein effect, and the spin Hall magnetoresistance.

  3. Coupled gas and ion transport in quadrupole interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Jugroot, M [Institute for Aerospace Studies, University of Toronto, Ontario, M3H 5T6 (Canada); Groth, C P T [Institute for Aerospace Studies, University of Toronto, Ontario, M3H 5T6 (Canada); Thomson, B A [MDS SCIEX, Concord, Ontario, L4K 4V8 (Canada); Baranov, V [MDS SCIEX, Concord, Ontario, L4K 4V8 (Canada); Collings, B A [MDS SCIEX, Concord, Ontario, L4K 4V8 (Canada); French, J B [MDS SCIEX, Concord, Ontario, L4K 4V8 (Canada)

    2008-01-21

    The transport of free ions through highly under-expanded jet flows of neutral gases and in the presence of applied electric fields is investigated by continuum-based (fluid) numerical simulations. In particular, numerical results are described which are relevant to ion flows occurring in quadrupole interfaces of mass spectrometer systems. A five-moment mathematical model and parallel multi-block numerical solution procedure are developed for predicting the ion transport. The model incorporates the effects of ion-neutral collision processes and is used in conjunction with a Navier-Stokes model and flow solver for the neutral gas to examine the key influences controlling the ion motion. The effects of the neutral gas flow, electric fields (both dc and rf) and flow field geometry on ion mobility are carefully assessed. The capability of controlling the charged particle motions through a combination of directed neutral flow and applied electric field is demonstrated for these high-speed, hypersonic, jet flows. The neutral dynamics is shown to have a strong influence on the ion transport whereas the electric field imparts a more gradual effect. The combined effect of the applied (dc and rf) electric field and neutral collision processes with the dilute neutral gas results in a strong tendency for ion focusing towards the axis of symmetry, with the overall efficiency governed by the mass-to-charge ratio.

  4. A Theoretic Model of Transport Logistics Demand

    Directory of Open Access Journals (Sweden)

    Natalija Jolić

    2006-01-01

    Full Text Available Concerning transport logistics as relation between transportand integrated approaches to logistics, some transport and logisticsspecialists consider the tenn tautological. However,transport is one of the components of logistics, along with inventories,resources, warehousing, infonnation and goods handling.Transport logistics considers wider commercial and operationalframeworks within which the flow of goods is plannedand managed. The demand for transport logistics services canbe valorised as highly qualitative, differentiated and derived.While researching transport phenomenon the implementationof models is inevitable and demand models highly desirable. Asa contribution to transport modelling this paper improves decisionmaking and planning in the transport logistics field.

  5. One-Dimensional Transport with Equilibrium Chemistry (OTEQ) - A Reactive Transport Model for Streams and Rivers

    Science.gov (United States)

    Runkel, Robert L.

    2010-01-01

    OTEQ is a mathematical simulation model used to characterize the fate and transport of waterborne solutes in streams and rivers. The model is formed by coupling a solute transport model with a chemical equilibrium submodel. The solute transport model is based on OTIS, a model that considers the physical processes of advection, dispersion, lateral inflow, and transient storage. The equilibrium submodel is based on MINTEQ, a model that considers the speciation and complexation of aqueous species, acid-base reactions, precipitation/dissolution, and sorption. Within OTEQ, reactions in the water column may result in the formation of solid phases (precipitates and sorbed species) that are subject to downstream transport and settling processes. Solid phases on the streambed may also interact with the water column through dissolution and sorption/desorption reactions. Consideration of both mobile (waterborne) and immobile (streambed) solid phases requires a unique set of governing differential equations and solution techniques that are developed herein. The partial differential equations describing physical transport and the algebraic equations describing chemical equilibria are coupled using the sequential iteration approach. The model's ability to simulate pH, precipitation/dissolution, and pH-dependent sorption provides a means of evaluating the complex interactions between instream chemistry and hydrologic transport at the field scale. This report details the development and application of OTEQ. Sections of the report describe model theory, input/output specifications, model applications, and installation instructions. OTEQ may be obtained over the Internet at http://water.usgs.gov/software/OTEQ.

  6. Stochastic analysis of transverse dispersion in density-coupled transport in aquifers

    Science.gov (United States)

    Welty, C.; Kane, A. C.; Kauffman, L.J.

    2003-01-01

    Spectral perturbation techniques have been used previously to derive integral expressions for dispersive mixing in concentration-dependent transport in three-dimensional, heterogeneous porous media, where fluid density and viscosity are functions of solute concentration. Whereas earlier work focused on evaluating longitudinal dispersivity in isotropic media and incorporating the result in a mean one-dimensional transport model, the emphasis of this paper is on evaluation of the complete dispersion tensor, including the more general case of anisotropic media. Approximate analytic expressions for all components of the macroscopic dispersivity tensor are derived, and the tensor is shown to be asymmetric. The tensor is separated into its symmetric and antisymmetric parts, where the symmetric part is used to calculate the principal components and principal directions of dispersivity, and the antisymmetric part of the tensor is shown to modify the velocity of the solute body compared to that of the background fluid. An example set of numerical simulations incorporating the tensor illustrates the effect of density-coupled dispersivity on a sinking plume in an aquifer. The simulations show that the effective transverse vertical spreading in a sinking plume to be significantly greater than would be predicted by a standard density-coupled transport model that does not incorporate the coupling in the dispersivity tensor.

  7. A feed-forward loop coupling extracellular BMP transport and morphogenesis in Drosophila wing.

    Directory of Open Access Journals (Sweden)

    Shinya Matsuda

    2013-03-01

    Full Text Available A variety of extracellular factors regulate morphogenesis during development. However, coordination between extracellular signaling and dynamic morphogenesis is largely unexplored. We address the fundamental question by studying posterior crossvein (PCV development in Drosophila as a model, in which long-range BMP transport from the longitudinal veins plays a critical role during the pupal stages. Here, we show that RhoGAP Crossveinless-C (Cv-C is induced at the PCV primordial cells by BMP signaling and mediates PCV morphogenesis cell-autonomously by inactivating members of the Rho-type small GTPases. Intriguingly, we find that Cv-C is also required non-cell-autonomously for BMP transport into the PCV region, while a long-range BMP transport is guided toward ectopic wing vein regions by loss of the Rho-type small GTPases. We present evidence that low level of ß-integrin accumulation at the basal side of PCV epithelial cells regulated by Cv-C provides an optimal extracellular environment for guiding BMP transport. These data suggest that BMP transport and PCV morphogenesis are tightly coupled. Our study reveals a feed-forward mechanism that coordinates the spatial distribution of extracellular instructive cues and morphogenesis. The coupling mechanism may be widely utilized to achieve precise morphogenesis during development and homeostasis.

  8. Modelling of Transport Projects Uncertainties

    DEFF Research Database (Denmark)

    Salling, Kim Bang; Leleur, Steen

    2009-01-01

    This paper proposes a new way of handling the uncertainties present in transport decision making based on infrastructure appraisals. The paper suggests to combine the principle of Optimism Bias, which depicts the historical tendency of overestimating transport related benefits and underestimating...... investment costs, with a quantitative risk analysis based on Monte Carlo simulation and to make use of a set of exploratory scenarios. The analysis is carried out by using the CBA-DK model representing the Danish standard approach to socio-economic cost-benefit analysis. Specifically, the paper proposes...... to supplement Optimism Bias and the associated Reference Class Forecasting (RCF) technique with a new technique that makes use of a scenario-grid. We tentatively introduce and refer to this as Reference Scenario Forecasting (RSF). The final RSF output from the CBA-DK model consists of a set of scenario...

  9. Some results on the neutron transport and the coupling of equations; Quelques resultats sur le transport neutronique et le couplage d`equations

    Energy Technology Data Exchange (ETDEWEB)

    Bal, G. [Electricite de France (EDF), Direction des Etudes et Recherches, 92 - Clamart (France)

    1997-12-31

    Neutron transport in nuclear reactors is well modeled by the linear Boltzmann transport equation. Its resolution is relatively easy but very expensive. To achieve whole core calculations, one has to consider simpler models, such as diffusion or homogeneous transport equations. However, the solutions may become inaccurate in particular situations (as accidents for instance). That is the reason why we wish to solve the equations on small area accurately and more coarsely on the remaining part of the core. It is than necessary to introduce some links between different discretizations or modelizations. In this note, we give some results on the coupling of different discretizations of all degrees of freedom of the integral-differential neutron transport equation (two degrees for the angular variable, on for the energy component, and two or three degrees for spatial position respectively in 2D (cylindrical symmetry) and 3D). Two chapters are devoted to the coupling of discrete ordinates methods (for angular discretization). The first one is theoretical and shows the well posing of the coupled problem, whereas the second one deals with numerical applications of practical interest (the results have been obtained from the neutron transport code developed at the R and D, which has been modified for introducing the coupling). Next, we present the nodal scheme RTN0, used for the spatial discretization. We show well posing results for the non-coupled and the coupled problems. At the end, we deal with the coupling of energy discretizations for the multigroup equations obtained by homogenization. Some theoretical results of the discretization of the velocity variable (well-posing of problems), which do not deal directly with the purposes of coupling, are presented in the annexes. (author). 34 refs.

  10. Coupling dark energy with Standard Model states

    CERN Document Server

    Bento, M C; Bertolami, O

    2009-01-01

    In this contribution one examines the coupling of dark energy to the gauge fields, to neutrinos, and to the Higgs field. In the first case, one shows how a putative evolution of the fundamental couplings of strong and weak interactions via coupling to dark energy through a generalized Bekenstein-type model may cause deviations on the statistical nuclear decay Rutherford-Soddy law. Existing bounds for the weak interaction exclude any significant deviation. For neutrinos, a perturbative approach is developed which allows for considering viable varying mass neutrino models coupled to any quintessence-type field. The generalized Chaplygin model is considered as an example. For the coupling with the Higgs field one obtains an interesting cosmological solution which includes the unification of dark energy and dark matter.

  11. Structural and mechanistic insights into prokaryotic energy-coupling factor transporters

    NARCIS (Netherlands)

    Slotboom, Dirk J.

    2014-01-01

    Energy-coupling factor (ECF) transporters belong to the ATP-binding cassette (ABC)-transporter family and mediate the uptake of essential micronutrients in many prokaryotic species. Two crystal structures of bacterial ECF transporters have recently been obtained and suggest that transport involves

  12. Quaternary Structure and Functional Unit of Energy Coupling Factor (ECF)-type Transporters

    NARCIS (Netherlands)

    Beek, Josy ter; Duurkens, Ria H.; Erkens, Guus B.; Slotboom, Dirk Jan

    2011-01-01

    ATP-binding cassette (ABC) transporters mediate transport of diverse substrates across membranes. We have determined the quaternary structure and functional unit of the recently discovered ECF-type (energy coupling factor) of ABC transporters, which is widespread among prokaryotes. ECF transporters

  13. Peptide Selectivity of the Proton-Coupled Oligopeptide Transporter from Neisseria meningitidis

    DEFF Research Database (Denmark)

    Sharma, Neha; Aduri, Nanda G; Iqbal, Anna

    2016-01-01

    Peptide transport in living organisms is facilitated by either primary transport, hydrolysis of ATP, or secondary transport, cotransport of protons. In this study, we focused on investigating the ligand specificity of the Neisseria meningitidis proton-coupled oligopeptide transporter (NmPOT). It ...

  14. Energy coupling to periplasmic binding protein-dependent transport systems: stoichiometry of ATP hydrolysis during transport in vivo.

    OpenAIRE

    Mimmack, M L; Gallagher, M P; Pearce, S R; Hyde, S C; Booth, I R; Higgins, C F

    1989-01-01

    Periplasmic binding protein-dependent transport systems mediate the accumulation of many diverse substrates in prokaryotic cells. Similar transport systems, including the P-glycoprotein responsible for multidrug resistance in human tumors, are also found in eukaryotes. The mechanism by which energy is coupled to the accumulation of substrate by these transport systems has been controversial. In this paper we demonstrate that ATP hydrolysis occurs in vivo concomitantly with transport. These da...

  15. ACE-Asia Chemical Transport Modeling Overview

    Science.gov (United States)

    UNO, I.; Chin, M.; Collins, W.; Ginoux, P.; Rasch, P.; Carmichael, G. R.; Yienger, J. J.

    2001-12-01

    ACE-Asia (Asia Pacific Regional Aerosol Characterization Experiment) was designed to increase our understanding of how atmospheric aerosol particles affect the Earth?s climate system. The intensive observation period was carried out during March to May, 2001, and more than 100 researchers from several countries (United States, Japan, Korea, China, and many other Asian countries) participated using aircraft, a research vessel, surface stations and numerical models. Aerosol transport forecast activities played an important role during the ACE-Asia intensive observation period. Three independent modeling groups operated chemical transport models in forecast mode and participated in flight planning activities at the operations center. These models were: MATCH (Model of Atmospheric Transport and Chemistry; Rasch and Collins); GOCART (Georgia Tech/Goddard Global Ozone Chemistry Aerosol Radiation and Transport model; Chin and Ginour) and CFORS (Research Institute for Applied Mechanics, Kyushu University + University of Iowa - Chemical weather FORecast System; Uno, Carmichael and Yienger). The MATCH model used in ACE-Asia was a transport model applied for the Asia region, driven by NCEP forecast meteorology. A unique feature of this model was that it assimilated satellite derived optical depths into its forecast algorithm. The GOCART model provided global aerosol forecast using forecast meteorological fields provided by the Goddard Earth Observing System Data Assimilation System (GEOS DAS). The CFORS model provided regional forecasts using a limited area transport model coupled with Regional Meteorological Modeling System (RAMS), initialized by NCEP and JMA forecasts. All models produced 3-d aerosol forecast products consisting of aerosol mass distributions and optical depths for sulfate, black carbon, organic carbon, sea salt, and dust. In the field these model products were made available to all participating scientists via the Web, and were also presented during the

  16. Integrative systems models of cardiac excitation-contraction coupling.

    Science.gov (United States)

    Greenstein, Joseph L; Winslow, Raimond L

    2011-01-07

    Excitation-contraction coupling in the cardiac myocyte is mediated by a number of highly integrated mechanisms of intracellular Ca²(+) transport. The complexity and integrative nature of heart cell electrophysiology and Ca²(+) cycling has led to an evolution of computational models that have played a crucial role in shaping our understanding of heart function. An important emerging theme in systems biology is that the detailed nature of local signaling events, such as those that occur in the cardiac dyad, have important consequences at higher biological scales. Multiscale modeling techniques have revealed many mechanistic links between microscale events, such as Ca²(+) binding to a channel protein, and macroscale phenomena, such as excitation-contraction coupling gain. Here, we review experimentally based multiscale computational models of excitation-contraction coupling and the insights that have been gained through their application.

  17. A global method for coupling transport with chemistry in heterogeneous porous media

    CERN Document Server

    Laila, Amir; 10.1007/s10596-009-9162-x

    2009-01-01

    Modeling reactive transport in porous media, using a local chemical equilibrium assumption, leads to a system of advection-diffusion PDE's coupled with algebraic equations. When solving this coupled system, the algebraic equations have to be solved at each grid point for each chemical species and at each time step. This leads to a coupled non-linear system. In this paper a global solution approach that enables to keep the software codes for transport and chemistry distinct is proposed. The method applies the Newton-Krylov framework to the formulation for reactive transport used in operator splitting. The method is formulated in terms of total mobile and total fixed concentrations and uses the chemical solver as a black box, as it only requires that on be able to solve chemical equilibrium problems (and compute derivatives), without having to know the solution method. An additional advantage of the Newton-Krylov method is that the Jacobian is only needed as an operator in a Jacobian matrix times vector product...

  18. Modeling the nitrogen fluxes in the Black Sea using a 3D coupled hydrodynamical-biogeochemical model: transport versus biogeochemical processes, exchanges across the shelf break and comparison of the shelf and deep sea ecodynamics

    Directory of Open Access Journals (Sweden)

    J. M. Beckers

    2004-06-01

    Full Text Available A 6-compartment biogeochemical model of nitrogen cycling and plankton productivity has been coupled with a 3D general circulation model in an enclosed environment (the Black Sea so as to quantify and compare, on a seasonal and annual scale, the typical internal biogeochemical functioning of the shelf and of the deep sea as well as to estimate the nitrogen and water exchanges at the shelf break. Model results indicate that the annual nitrogen net export to the deep sea roughly corresponds to the annual load of nitrogen discharged by the rivers on the shelf. The model estimated vertically integrated gross annual primary production is 130 g C m-2yr-1 for the whole basin, 220 g C m-2yr-1 for the shelf and 40 g C m-2yr-1 for the central basin. In agreement with sediment trap observations, model results indicate a rapid and efficient recycling of particulate organic matter in the sub-oxic portion of the water column (60-80m of the open sea. More than 95% of the PON produced in the euphotic layer is recycled in the upper 100m of the water column, 87% in the upper 80 m and 67% in the euphotic layer. The model estimates the annual export of POC towards the anoxic layer to 4 1010mol yr-1. This POC is definitely lost for the system and represents 2% of the annual primary production of the open sea.

  19. Generalized circuit model for coupled plasmonic systems

    CERN Document Server

    Benz, Felix; Tserkezis, Christos; Chikkaraddy, Rohit; Sigle, Daniel O; Pukenas, Laurynas; Evans, Stephen D; Aizpurua, Javier; Baumberg, Jeremy J

    2015-01-01

    We develop an analytic circuit model for coupled plasmonic dimers separated by small gaps that provides a complete account of the optical resonance wavelength. Using a suitable equivalent circuit, it shows how partially conducting links can be treated and provides quantitative agreement with both experiment and full electromagnetic simulations. The model highlights how in the conducting regime, the kinetic inductance of the linkers set the spectral blue-shifts of the coupled plasmon.

  20. Coupling Geomechanics and Transport in Naturally Fractured Reservoirs

    Directory of Open Access Journals (Sweden)

    M.R Jalali

    2012-12-01

    Full Text Available Large amounts of hydrocarbon reserves are trapped in naturally fractured reservoirs which arechallenging in terms of accurate recovery prediction because of their joint fabric complexity andlithological heterogeneity. Canada, for example, has over 400 billion barrels of crude oil in fracturedcarbonates in Alberta, most of this being bitumen of viscosity greater than 106 cP in the GrosmontFormation, which has an average porosity of about 13-15%. Thermal methods are the most commonexploitation approaches in such viscous oil reservoirs which, in the case of steam injection, are associatedwith up to 275-300°C temperature changes, leading to considerable thermoelastic expansion. Thistemperature change, combined with pore pressure changes from injection and production processes, leadsto massive effective stress variations in the reservoir and surrounding rocks. The thermally-induced(thermoelastic stress changes can easily be an order of magnitude greater than the pore pressure effectsbecause of the high intrinsic stiffness of the low porosity limestone and bounding strata. Study of thesestress-pressure-temperature effects requires a thermo-hydro-mechanical (THM coupling approach whichconsiders the simultaneous variation of effective stress, pore pressure, and temperature and theirinteractions. For example, thermal expansion can lead to significant joint dilation, increasing themacroscopic, joint-dominated transmissivity by an order of magnitude in front of and normal to thethermal front, while reducing it in the direction tangential to the heating front. This leads to stronginduced anisotropy of transport processes, which in turn affects the spatial distribution of the heatingarising from advective heat transfer.

  1. Modelling of radon transport in porous media

    NARCIS (Netherlands)

    van der Graaf, E.R.; de Meijer, R.J.; Katase, A; Shimo, M

    1998-01-01

    This paper aims to describe the state of the art of modelling radon transport in soil on basis of multiphase radon transport equations. Emphasis is given to methods to obtain a consistent set of input parameters needed For such models. Model-measurement comparisons with the KVI radon transport Facil

  2. Modelling of radon transport in porous media

    NARCIS (Netherlands)

    van der Graaf, E.R.; de Meijer, R.J.; Katase, A; Shimo, M

    1998-01-01

    This paper aims to describe the state of the art of modelling radon transport in soil on basis of multiphase radon transport equations. Emphasis is given to methods to obtain a consistent set of input parameters needed For such models. Model-measurement comparisons with the KVI radon transport Facil

  3. Quantum transport in chains with noisy off-diagonal couplings.

    Science.gov (United States)

    Pereverzev, Andrey; Bittner, Eric R

    2005-12-22

    We present a model for conductivity and energy diffusion in a linear chain described by a quadratic Hamiltonian with Gaussian noise. We show that when the correlation matrix is diagonal, the noise-averaged Liouville-von Neumann equation governing the time evolution of the system reduces to the [Lindblad, Commun. Math. Phys. 48, 119 (1976)] equation with Hermitian Lindblad operators. We show that the noise-averaged density matrix for the system expectation values of the energy density and the number density satisfies discrete versions of the heat and diffusion equations. Transport coefficients are given in terms of model Hamiltonian parameters. We discuss conditions on the Hamiltonian under which the noise-averaged expectation value of the total energy remains constant. For chains placed between two heat reservoirs, the gradient of the energy density along the chain is linear.

  4. Transport Properties for Combustion Modeling

    Energy Technology Data Exchange (ETDEWEB)

    Brown, N.J.; Bastein, L.; Price, P.N.

    2010-02-19

    This review examines current approximations and approaches that underlie the evaluation of transport properties for combustion modeling applications. Discussed in the review are: the intermolecular potential and its descriptive molecular parameters; various approaches to evaluating collision integrals; supporting data required for the evaluation of transport properties; commonly used computer programs for predicting transport properties; the quality of experimental measurements and their importance for validating or rejecting approximations to property estimation; the interpretation of corresponding states; combination rules that yield pair molecular potential parameters for unlike species from like species parameters; and mixture approximations. The insensitivity of transport properties to intermolecular forces is noted, especially the non-uniqueness of the supporting potential parameters. Viscosity experiments of pure substances and binary mixtures measured post 1970 are used to evaluate a number of approximations; the intermediate temperature range 1 < T* < 10, where T* is kT/{var_epsilon}, is emphasized since this is where rich data sets are available. When suitable potential parameters are used, errors in transport property predictions for pure substances and binary mixtures are less than 5 %, when they are calculated using the approaches of Kee et al.; Mason, Kestin, and Uribe; Paul and Warnatz; or Ern and Giovangigli. Recommendations stemming from the review include (1) revisiting the supporting data required by the various computational approaches, and updating the data sets with accurate potential parameters, dipole moments, and polarizabilities; (2) characterizing the range of parameter space over which the fit to experimental data is good, rather than the current practice of reporting only the parameter set that best fits the data; (3) looking for improved combining rules, since existing rules were found to under-predict the viscosity in most cases; (4

  5. An isogeometric variational multiscale method for large-eddy simulation of coupled multi-ion transport in turbulent flow

    Energy Technology Data Exchange (ETDEWEB)

    Bauer, Georg; Gamnitzer, Peter [Institute for Computational Mechanics, Technische Universität München, Boltzmannstr. 15, 85747 Garching (Germany); Gravemeier, Volker, E-mail: vgravem@lnm.mw.tum.de [Institute for Computational Mechanics, Technische Universität München, Boltzmannstr. 15, 85747 Garching (Germany); Emmy Noether Research Group “Computational Multiscale Methods for Turbulent Combustion”, Technische Universität München, Boltzmannstr. 15, 85747 Garching (Germany); Wall, Wolfgang A. [Institute for Computational Mechanics, Technische Universität München, Boltzmannstr. 15, 85747 Garching (Germany)

    2013-10-15

    Highlights: •We present a computational method for coupled multi-ion transport in turbulent flow. •The underlying formulation is a variational multiscale finite element method. •It is combined with the isogeometric concept for electrochemical systems. •Coupled multi-ion transport in fully turbulent Taylor–Couette flow is simulated. •This example is an important model problem for rotating cylinder electrodes. -- Abstract: Electrochemical processes, such as electroplating of large items in galvanic baths, are often coupled to turbulent flow. In this study, we propose an isogeometric residual-based variational multiscale finite element method for multi-ion transport in dilute electrolyte solutions under turbulent flow conditions. In other words, this means that the concepts of isogeometric discretization and variational multiscale methods are successfully combined for developing a method capable of simulating the challenging problem of coupled multi-ion transport in turbulent flow. We present a comprehensive three-dimensional computational method taking into account, among others, coupled convection–diffusion-migration equations subject to an electroneutrality constraint in combination with phenomenological electrode-kinetics modeling. The electrochemical subproblem is one-way coupled to turbulent incompressible flow via convection. Ionic mass transfer in turbulent Taylor–Couette flow is investigated, representing an important model problem for rotating-cylinder-electrode configurations. Multi-ion transport as considered here is an example for mass transport at high Schmidt number (Sc=1389). An isogeometric discretization is especially advantageous for the present problem, since (i) curved boundaries can be represented exactly, and (ii) it has been proven to provide very accurate solutions for flow quantities when being applied in combination with residual-based variational multiscale modeling. We demonstrate that the method is robust and provides

  6. Up-gradient transport in a probabilistic transport model

    DEFF Research Database (Denmark)

    Gavnholt, J.; Juul Rasmussen, J.; Garcia, O.E.

    2005-01-01

    The transport of particles or heat against the driving gradient is studied by employing a probabilistic transport model with a characteristic particle step length that depends on the local concentration or heat gradient. When this gradient is larger than a prescribed critical value, the standard....... These results supplement recent works by van Milligen [Phys. Plasmas 11, 3787 (2004)], which applied Levy distributed step sizes in the case of supercritical gradients to obtain the up-gradient transport. (c) 2005 American Institute of Physics....

  7. Multi-Fraction Bayesian Sediment Transport Model

    Directory of Open Access Journals (Sweden)

    Mark L. Schmelter

    2015-09-01

    Full Text Available A Bayesian approach to sediment transport modeling can provide a strong basis for evaluating and propagating model uncertainty, which can be useful in transport applications. Previous work in developing and applying Bayesian sediment transport models used a single grain size fraction or characterized the transport of mixed-size sediment with a single characteristic grain size. Although this approach is common in sediment transport modeling, it precludes the possibility of capturing processes that cause mixed-size sediments to sort and, thereby, alter the grain size available for transport and the transport rates themselves. This paper extends development of a Bayesian transport model from one to k fractional dimensions. The model uses an existing transport function as its deterministic core and is applied to the dataset used to originally develop the function. The Bayesian multi-fraction model is able to infer the posterior distributions for essential model parameters and replicates predictive distributions of both bulk and fractional transport. Further, the inferred posterior distributions are used to evaluate parametric and other sources of variability in relations representing mixed-size interactions in the original model. Successful OPEN ACCESS J. Mar. Sci. Eng. 2015, 3 1067 development of the model demonstrates that Bayesian methods can be used to provide a robust and rigorous basis for quantifying uncertainty in mixed-size sediment transport. Such a method has heretofore been unavailable and allows for the propagation of uncertainty in sediment transport applications.

  8. Raytracing simulations of coupled dark energy models

    CERN Document Server

    Pace, Francesco; Moscardini, Lauro; Bacon, David; Crittenden, Robert

    2014-01-01

    Dark matter and dark energy are usually assumed to be independent, coupling only gravitationally. An extension to this simple picture is to model dark energy as a scalar field which is directly coupled to the cold dark matter fluid. Such a non-trivial coupling in the dark sector leads to a fifth force and a time-dependent dark matter particle mass. In this work we examine the impact that dark energy-dark matter couplings have on weak lensing statistics by constructing realistic simulated weak-lensing maps using raytracing techniques through a suite of N-body cosmological simulations. We construct maps for an array of different lensing quantities, covering a range of scales from a few arcminutes to several degrees. The concordance $\\Lambda$CDM model is compared to different coupled dark energy models, described either by an exponential scalar field potential (standard coupled dark energy scenario) or by a SUGRA potential (bouncing model). We analyse several statistical quantities, in particular the power spect...

  9. Modeling sediment mobilization using a distributed hydrological model coupled with a bank stability model

    Science.gov (United States)

    Stryker, J.; Wemple, B.; Bomblies, A.

    2017-03-01

    In addition to surface erosion, stream bank erosion and failure contributes significant sediment and sediment-bound nutrients to receiving waters during high flow events. However, distributed and mechanistic simulation of stream bank sediment contribution to sediment loads in a watershed has not been achieved. Here we present a full coupling of existing distributed watershed and bank stability models and apply the resulting model to the Mad River in central Vermont. We fully coupled the Bank Stability and Toe Erosion Model (BSTEM) with the Distributed Hydrology Soil Vegetation Model (DHSVM) to allow the simulation of stream bank erosion and potential failure in a spatially explicit environment. We demonstrate the model's ability to simulate the impacts of unstable streams on sediment mobilization and transport within a watershed and discuss the model's capability to simulate watershed sediment loading under climate change. The calibrated model simulates total suspended sediment loads and reproduces variability in suspended sediment concentrations at watershed and subbasin outlets. In addition, characteristics such as land use and road-to-stream ratio of subbasins are shown to impact the relative proportions of sediment mobilized by overland erosion, erosion of roads, and stream bank erosion and failure in the subbasins and watershed. This coupled model will advance mechanistic simulation of suspended sediment mobilization and transport from watersheds, which will be particularly valuable for investigating the potential impacts of climate and land use changes, as well as extreme events.

  10. Chemistry-transport coupling and retroactive effects on material properties within the context of a deep geological repository; Couplage chimie-transport et retroaction sur les proprietes des materiaux en contexte de stockage geologique profond. Synthese des activites de recherche

    Energy Technology Data Exchange (ETDEWEB)

    Bildstein, O.

    2010-06-15

    The author gives an overview of his research and teaching activities. His researches first dealt with the development of a simulation of the chemistry/transport coupling and of the retroactive effects on transport parameters, then with the chemistry/transport modelling and its coupling with mechanics, and finally with the multi-scale investigation of porous materials. Perspectives are discussed and publications are indicated

  11. Standard-model coupling constants from compositeness

    CERN Document Server

    Besprosvany, J

    2003-01-01

    A coupling-constant definition is given based on the compositeness property of some particle states with respect to the elementary states of other particles. It is applied in the context of the vector-spin-1/2-particle interaction vertices of a field theory, and the standard model. The definition reproduces Weinberg's angle in a grand-unified theory. One obtains coupling values close to the experimental ones for appropriate configurations of the standard-model vector particles, at the unification scale within grand-unified models, and at the electroweak breaking scale.

  12. Dual coupling effective band model for polarons

    Science.gov (United States)

    Marchand, Dominic J. J.; Stamp, Philip C. E.; Berciu, Mona

    2017-01-01

    Nondiagonal couplings to a bosonic bath completely change polaronic dynamics, from the usual diagonally coupled paradigm of smoothly varying properties. We study, using analytic and numerical methods, a model having both diagonal Holstein and nondiagonal Su-Schrieffer-Heeger (SSH) couplings. The critical coupling found previously in the pure SSH model, at which the k =0 effective mass diverges, now becomes a transition line in the coupling constant plane—the form of the line depends on the adiabaticity parameter. Detailed results are given for the quasiparticle and ground-state properties, over a wide range of couplings and adiabaticity ratios. The new paradigm involves a destabilization, at the transition line, of the simple Holstein polaron to one with a finite ground-state momentum, but with everywhere a continuously evolving band shape. No "self-trapping transition" exists in any of these models. The physics may be understood entirely in terms of competition between different hopping terms in a simple renormalized effective band theory. The possibility of further transitions is suggested by the results.

  13. Business Models For Transport eBusiness

    OpenAIRE

    Dragan Cisic; Ivan Franciskovic; Ana Peric

    2003-01-01

    In this paper authors are presenting expectations from electronic commerce and its connotations on transport logistics. Based on trends, the relations between the companies in the international transport have to be strengthened using Internet business models. In the paper authors are investigating e-business information models for usage in transport

  14. How LeuT shapes our understanding of the mechanisms of sodium-coupled neurotransmitter transporters.

    Science.gov (United States)

    Penmatsa, Aravind; Gouaux, Eric

    2014-03-01

    Neurotransmitter transporters are ion-coupled symporters that drive the uptake of neurotransmitters from neural synapses. In the past decade, the structure of a bacterial amino acid transporter, leucine transporter (LeuT), has given valuable insights into the understanding of architecture and mechanism of mammalian neurotransmitter transporters. Different conformations of LeuT, including a substrate-free state, inward-open state, and competitive and non-competitive inhibitor-bound states, have revealed a mechanistic framework for the transport and transport inhibition of neurotransmitters. The current review integrates our understanding of the mechanistic and pharmacological properties of eukaryotic neurotransmitter transporters obtained through structural snapshots of LeuT.

  15. CFEST Coupled Flow, Energy & Solute Transport Version CFEST005 User’s Guide

    Energy Technology Data Exchange (ETDEWEB)

    Freedman, Vicky L.; Chen, Yousu; Gilca, Alex; Cole, Charles R.; Gupta, Sumant K.

    2006-07-20

    The CFEST (Coupled Flow, Energy, and Solute Transport) simulator described in this User’s Guide is a three-dimensional finite-element model used to evaluate groundwater flow and solute mass transport. Confined and unconfined aquifer systems, as well as constant and variable density fluid flows can be represented with CFEST. For unconfined aquifers, the model uses a moving boundary for the water table, deforming the numerical mesh so that the uppermost nodes are always at the water table. For solute transport, changes in concentra¬tion of a single dissolved chemical constituent are computed for advective and hydrodynamic transport, linear sorption represented by a retardation factor, and radioactive decay. Although several thermal parameters described in this User’s Guide are required inputs, thermal transport has not yet been fully implemented in the simulator. Once fully implemented, transport of thermal energy in the groundwater and solid matrix of the aquifer can also be used to model aquifer thermal regimes. The CFEST simulator is written in the FORTRAN 77 language, following American National Standards Institute (ANSI) standards. Execution of the CFEST simulator is controlled through three required text input files. These input file use a structured format of associated groups of input data. Example input data lines are presented for each file type, as well as a description of the structured FORTRAN data format. Detailed descriptions of all input requirements, output options, and program structure and execution are provided in this User’s Guide. Required inputs for auxillary CFEST utilities that aide in post-processing data are also described. Global variables are defined for those with access to the source code. Although CFEST is a proprietary code (CFEST, Inc., Irvine, CA), the Pacific Northwest National Laboratory retains permission to maintain its own source, and to distribute executables to Hanford subcontractors.

  16. An Appraisal of Coupled Climate Model Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Sperber, K; Gleckler, P; Covey, C; Taylor, K; Bader, D; Phillips, T; Fiorino, M; Achutarao, K

    2004-02-24

    In 2002, the Program for Climate Model Diagnosis and Intercomparison (PCMDI) proposed the concept for a state-of-the-science appraisal of climate models to be performed approximately every two years. Motivation for this idea arose from the perceived needs of the international modeling groups and the broader climate research community to document progress more frequently than provided by the Intergovernmental Panel on Climate Change (IPCC) Assessment Reports. A committee of external reviewers, which included senior researchers from four leading international modeling centers, supported the concept by stating in its review: ''The panel enthusiastically endorses the suggestion that PCMDI develop an independent appraisal of coupled model performance every 2-3 years. This would provide a useful 'mid-course' evaluation of modeling progress in the context of larger IPCC and national assessment activities, and should include both coupled and single-component model evaluations.''

  17. Modeling energy transport in nanostructures

    Science.gov (United States)

    Pattamatta, Arvind

    Heat transfer in nanostructures differ significantly from that in the bulk materials since the characteristic length scales associated with heat carriers, i.e., the mean free path and the wavelength, are comparable to the characteristic length of the nanostructures. Nanostructure materials hold the promise of novel phenomena, properties, and functions in the areas of thermal management and energy conversion. Example of thermal management in micro/nano electronic devices is the use of efficient nanostructured materials to alleviate 'hot spots' in integrated circuits. Examples in the manipulation of heat flow and energy conversion include nanostructures for thermoelectric energy conversion, thermophotovoltaic power generation, and data storage. One of the major challenges in Metal-Oxide Field Effect Transistor (MOSFET) devices is to study the 'hot spot' generation by accurately modeling the carrier-optical phonon-acoustic phonon interactions. Prediction of hotspot temperature and position in MOSFET devices is necessary for improving thermal design and reliability of micro/nano electronic devices. Thermoelectric properties are among the properties that may drastically change at nanoscale. The efficiency of thermoelectric energy conversion in a material is measured by a non-dimensional figure of merit (ZT) defined as, ZT = sigmaS2T/k where sigma is the electrical conductivity, S is the Seebeck coefficient, T is the temperature, and k is the thermal conductivity. During the last decade, advances have been made in increasing ZT using nanostructures. Three important topics are studied with respect to energy transport in nanostructure materials for micro/nano electronic and thermoelectric applications; (1) the role of nanocomposites in improving the thermal efficiency of thermoelectric devices, (2) the interfacial thermal resistance for the semiconductor/metal contacts in thermoelectric devices and for metallic interconnects in micro/nano electronic devices, (3) the

  18. Fractional dynamical model for neurovascular coupling

    KAUST Repository

    Belkhatir, Zehor

    2014-08-01

    The neurovascular coupling is a key mechanism linking the neural activity to the hemodynamic behavior. Modeling of this coupling is very important to understand the brain function but it is at the same time very complex due to the complexity of the involved phenomena. Many studies have reported a time delay between the neural activity and the cerebral blood flow, which has been described by adding a delay parameter in some of the existing models. An alternative approach is proposed in this paper, where a fractional system is used to model the neurovascular coupling. Thanks to its nonlocal property, a fractional derivative is suitable for modeling the phenomena with delay. The proposed model is coupled with the first version of the well-known balloon model, which relates the cerebral blood flow to the Blood Oxygen Level Dependent (BOLD) signal measured using functional Magnetic Resonance Imaging (fMRI). Through some numerical simulations, the properties of the fractional model are explained and some preliminary comparisons to a real BOLD data set are provided. © 2014 IEEE.

  19. Modeling Biodegradation and Reactive Transport: Analytical and Numerical Models

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Y; Glascoe, L

    2005-06-09

    The computational modeling of the biodegradation of contaminated groundwater systems accounting for biochemical reactions coupled to contaminant transport is a valuable tool for both the field engineer/planner with limited computational resources and the expert computational researcher less constrained by time and computer power. There exists several analytical and numerical computer models that have been and are being developed to cover the practical needs put forth by users to fulfill this spectrum of computational demands. Generally, analytical models provide rapid and convenient screening tools running on very limited computational power, while numerical models can provide more detailed information with consequent requirements of greater computational time and effort. While these analytical and numerical computer models can provide accurate and adequate information to produce defensible remediation strategies, decisions based on inadequate modeling output or on over-analysis can have costly and risky consequences. In this chapter we consider both analytical and numerical modeling approaches to biodegradation and reactive transport. Both approaches are discussed and analyzed in terms of achieving bioremediation goals, recognizing that there is always a tradeoff between computational cost and the resolution of simulated systems.

  20. Cholesterol transport in model membranes

    Science.gov (United States)

    Garg, Sumit; Porcar, Lionel; Butler, Paul; Perez-Salas, Ursula

    2010-03-01

    Physiological processes distribute cholesterol unevenly within the cell. The levels of cholesterol are maintained by intracellular transport and a disruption in the cell's ability to keep these normal levels will lead to disease. Exchange rates of cholesterol are generally studied in model systems using labeled lipid vesicles. Initially donor vesicles have all the cholesterol and acceptor vesicles are devoid of it. They are mixed and after some time the vesicles are separated and cholesterol is traced in each vesicle. The studies performed up to date have significant scatter indicating that the methodologies are not consistent. The present work shows in-situ Time-Resolved SANS studies of cholesterol exchange rates in unsaturated PC lipid vesicles. Molecular dynamics simulations were done to investigate the energetic and kinetic behavior of cholesterol in this system. This synergistic approach will provide insight into our efforts to understand cholesterol traffic.

  1. Fluid transport and ion fluxes in mammalian kidney proximal tubule: a model analysis of isotonic transport

    DEFF Research Database (Denmark)

    Larsen, Erik Hviid; Møbjerg, N.; Sørensen, J. N.

    2006-01-01

    Aim: By mathematical modelling, we analyse conditions for near-isotonic and isotonic transport by mammalian kidney proximal tubule. Methods: The model comprises compliant lateral intercellular space (lis) and cells, and infinitely large luminal and peritubular compartments with diffusible species......: Na+, K+, Cl- and an intracellular non-diffusible anion. Unknown model variables are solute concentrations, electrical potentials, volumes and hydrostatic pressures in cell and lis, and transepithelial potential. We used data mainly from rat proximal tubule to model epithelial cells and interspace...... transport similar to rat proximal tubule. Na+ recirculation is required for truly isotonic transport. The tonicity of the absorbate and the recirculation flux depend critically on ion permeabilities of interspace basement membrane. Conclusion: Our model based on solute-solvent coupling in lateral space...

  2. Fluid transport and ion fluxes in mammalian kidney proximal tubule: a model analysis of isotonic transport

    DEFF Research Database (Denmark)

    Larsen, E.H.; Møbjerg, N.; Sørensen, Jens Nørkær

    2006-01-01

    Aim: By mathematical modelling, we analyse conditions for near-isotonic and isotonic transport by mammalian kidney proximal tubule. Methods: The model comprises compliant lateral intercellular space (lis) and cells, and infinitely large luminal and peritubular compartments with diffusible species......: Na+, K+, Cl and an intracellular non-diffusible anion. Unknown model variables are solute concentrations, electrical potentials, volumes and hydrostatic pressures in cell and lis, and transepithelial potential. We used data mainly from rat proximal tubule to model epithelial cells and interspace...... transport similar to rat proximal tubule. Na+ recirculation is required for truly isotonic transport. The tonicity of the absorbate and the recirculation flux depend critically on ion permeabilities of interspace basement membrane. Conclusion: Our model based on solute-solvent coupling in lateral space...

  3. Modeling of Coupled Nano-Cavity Lasers

    DEFF Research Database (Denmark)

    Skovgård, Troels Suhr

    Modeling of nanocavity light emitting semiconductor devices is done using the semiconductor laser rate equations with spontaneous and stimulated emission terms modified for Purcell enhanced recombination. The modified terms include details about the optical and electronic density......, coupled photonic crystal nanocavity structures are simulated. The resonance frequencies of in-phase and out-of-phase coupled quadrupole modes in rectangular photonic crystal H1 cavities are extracted and are found to vary non-trivially with the intercavity separation. A qualitative explanation is given...... in terms of the in-plane mode profiles. Fareld emission patterns for the structures are calculated based on the finite-dierence time-domain simulations. It is found that only systems with an even number of holes separating the cavities show clear signs of being coupled. This non-trivial coupling behavior...

  4. Electrical and thermal transport in the quasiatomic limit of coupled Luttinger liquids

    Science.gov (United States)

    Szasz, Aaron; Ilan, Roni; Moore, Joel E.

    2017-02-01

    We introduce a new model for quasi-one-dimensional materials, motivated by intriguing but not yet well-understood experiments that have shown two-dimensional polymer films to be promising materials for thermoelectric devices. We consider a two-dimensional material consisting of many one-dimensional systems, each treated as a Luttinger liquid, with weak (incoherent) coupling between them. This approximation of strong interactions within each one-dimensional chain and weak coupling between them is the "quasiatomic limit." We find integral expressions for the (interchain) transport coefficients, including the electrical and thermal conductivities and the thermopower, and we extract their power law dependencies on temperature. Luttinger liquid physics is manifested in a violation of the Wiedemann-Franz law; the Lorenz number is larger than the Fermi liquid value by a factor between γ2 and γ4, where γ ≥1 is a measure of the electron-electron interaction strength in the system.

  5. Reactive Transport and Coupled THM Processes in Engineering Barrier Systems (EBS)

    Energy Technology Data Exchange (ETDEWEB)

    Steefel, Carl; Rutqvist, Jonny; Tsang, Chin-Fu; Liu, Hui-Hai; Sonnenthal, Eric; Houseworth, Jim; Birkholzer, Jens

    2010-08-31

    Geological repositories for disposal of high-level nuclear wastes generally rely on a multi-barrier system to isolate radioactive wastes from the biosphere. The multi-barrier system typically consists of a natural barrier system, including repository host rock and its surrounding subsurface environment, and an engineering barrier system (EBS). EBS represents the man-made, engineered materials placed within a repository, including the waste form, waste canisters, buffer materials, backfill and seals (OECD, 2003). EBS plays a significant role in the containment and long-term retardation of radionuclide release. EBS is involved in complex thermal, hydrogeological, mechanical, chemical and biological processes, such as heat release due to radionuclide decay, multiphase flow (including gas release due to canister corrosion), swelling of buffer materials, radionuclide diffusive transport, waste dissolution and chemical reactions. All these processes are related to each other. An in-depth understanding of these coupled processes is critical for the performance assessment (PA) for EBS and the entire repository. Within the EBS group of Used Fuel Disposition (UFD) Campaign, LBNL is currently focused on (1) thermal-hydraulic-mechanical-chemical (THMC) processes in buffer materials (bentonite) and (2) diffusive transport in EBS associated with clay host rock, with a long-term goal to develop a full understanding of (and needed modeling capabilities to simulate) impacts of coupled processes on radionuclide transport in different components of EBS, as well as the interaction between near-field host rock (e.g., clay) and EBS and how they effect radionuclide release. This final report documents the progress that LBNL has made in its focus areas. Specifically, Section 2 summarizes progress on literature review for THMC processes and reactive-diffusive radionuclide transport in bentonite. The literature review provides a picture of the state-of-the-art of the relevant research areas

  6. Coupled Stochastic Time-Inverted Lagrangian Transport/Weather Forecast and Research/Vegetation Photosynthesis and Respiration Model. Part II; Simulations of Tower-Based and Airborne CO2 Measurements

    Science.gov (United States)

    Eluszkiewicz, Janusz; Nehrkorn, Thomas; Wofsy, Steven C.; Matross, Daniel; Gerbig, Christoph; Lin, John C.; Freitas, Saulo; Longo, Marcos; Andrews, Arlyn E.; Peters, Wouter

    2007-01-01

    This paper evaluates simulations of atmospheric CO2 measured in 2004 at continental surface and airborne receptors, intended to test the capability to use data with high temporal and spatial resolution for analyses of carbon sources and sinks at regional and continental scales. The simulations were performed using the Stochastic Time-Inverted Lagrangian Transport (STILT) model driven by the Weather Forecast and Research (WRF) model, and linked to surface fluxes from the satellite-driven Vegetation Photosynthesis and Respiration Model (VPRM). The simulations provide detailed representations of hourly CO2 tower data and reproduce the shapes of airborne vertical profiles with high fidelity. WRF meteorology gives superior model performance compared with standard meteorological products, and the impact of including WRF convective mass fluxes in the STILT trajectory calculations is significant in individual cases. Important biases in the simulation are associated with the nighttime CO2 build-up and subsequent morning transition to convective conditions, and with errors in the advected lateral boundary condition. Comparison of STILT simulations driven by the WRF model against those driven by the Brazilian variant of the Regional Atmospheric Modeling System (BRAMS) shows that model-to-model differences are smaller than between an individual transport model and observations, pointing to systematic errors in the simulated transport. Future developments in the WRF model s data assimilation capabilities, basic research into the fundamental aspects of trajectory calculations, and intercomparison studies involving other transport models, are possible venues for reducing these errors. Overall, the STILT/WRF/VPRM offers a powerful tool for continental and regional scale carbon flux estimates.

  7. Discrete and continuum links to a nonlinear coupled transport problem of interacting populations

    Science.gov (United States)

    Duong, M. H.; Muntean, A.; Richardson, O. M.

    2017-02-01

    We are interested in exploring interacting particle systems that can be seen as microscopic models for a particular structure of coupled transport flux arising when different populations are jointly evolving. The scenarios we have in mind are inspired by the dynamics of pedestrian flows in open spaces and are intimately connected to cross-diffusion and thermo-diffusion problems holding a variational structure. The tools we use include a suitable structure of the relative entropy controlling TV-norms, the construction of Lyapunov functionals and particular closed-form solutions to nonlinear transport equations, a hydrodynamics limiting procedure due to Philipowski, as well as the construction of numerical approximates to both the continuum limit problem in 2D and to the original interacting particle systems.

  8. Drift-Scale Coupled Processes (DST and THC Seepage) Models

    Energy Technology Data Exchange (ETDEWEB)

    E. Sonnenthale

    2001-04-16

    The purpose of this Analysis/Model Report (AMR) is to document the Near-Field Environment (NFE) and Unsaturated Zone (UZ) models used to evaluate the potential effects of coupled thermal-hydrologic-chemical (THC) processes on unsaturated zone flow and transport. This is in accordance with the ''Technical Work Plan (TWP) for Unsaturated Zone Flow and Transport Process Model Report'', Addendum D, Attachment D-4 (Civilian Radioactive Waste Management System (CRWMS) Management and Operating Contractor (M&O) 2000 [1534471]) and ''Technical Work Plan for Nearfield Environment Thermal Analyses and Testing'' (CRWMS M&O 2000 [153309]). These models include the Drift Scale Test (DST) THC Model and several THC seepage models. These models provide the framework to evaluate THC coupled processes at the drift scale, predict flow and transport behavior for specified thermal loading conditions, and predict the chemistry of waters and gases entering potential waste-emplacement drifts. The intended use of this AMR is to provide input for the following: Performance Assessment (PA); Near-Field Environment (NFE) PMR; Abstraction of Drift-Scale Coupled Processes AMR (ANL-NBS-HS-000029); and UZ Flow and Transport Process Model Report (PMR). The work scope for this activity is presented in the TWPs cited above, and summarized as follows: Continue development of the repository drift-scale THC seepage model used in support of the TSPA in-drift geochemical model; incorporate heterogeneous fracture property realizations; study sensitivity of results to changes in input data and mineral assemblage; validate the DST model by comparison with field data; perform simulations to predict mineral dissolution and precipitation and their effects on fracture properties and chemistry of water (but not flow rates) that may seep into drifts; submit modeling results to the TDMS and document the models. The model development, input data, sensitivity and validation

  9. Drift-Scale Coupled Processes (DST and THC Seepage) Models

    Energy Technology Data Exchange (ETDEWEB)

    E. Gonnenthal; N. Spyoher

    2001-02-05

    The purpose of this Analysis/Model Report (AMR) is to document the Near-Field Environment (NFE) and Unsaturated Zone (UZ) models used to evaluate the potential effects of coupled thermal-hydrologic-chemical (THC) processes on unsaturated zone flow and transport. This is in accordance with the ''Technical Work Plan (TWP) for Unsaturated Zone Flow and Transport Process Model Report'', Addendum D, Attachment D-4 (Civilian Radioactive Waste Management System (CRWMS) Management and Operating Contractor (M and O) 2000 [153447]) and ''Technical Work Plan for Nearfield Environment Thermal Analyses and Testing'' (CRWMS M and O 2000 [153309]). These models include the Drift Scale Test (DST) THC Model and several THC seepage models. These models provide the framework to evaluate THC coupled processes at the drift scale, predict flow and transport behavior for specified thermal loading conditions, and predict the chemistry of waters and gases entering potential waste-emplacement drifts. The intended use of this AMR is to provide input for the following: (1) Performance Assessment (PA); (2) Abstraction of Drift-Scale Coupled Processes AMR (ANL-NBS-HS-000029); (3) UZ Flow and Transport Process Model Report (PMR); and (4) Near-Field Environment (NFE) PMR. The work scope for this activity is presented in the TWPs cited above, and summarized as follows: continue development of the repository drift-scale THC seepage model used in support of the TSPA in-drift geochemical model; incorporate heterogeneous fracture property realizations; study sensitivity of results to changes in input data and mineral assemblage; validate the DST model by comparison with field data; perform simulations to predict mineral dissolution and precipitation and their effects on fracture properties and chemistry of water (but not flow rates) that may seep into drifts; submit modeling results to the TDMS and document the models. The model development, input data

  10. PARALLEL MEASUREMENT AND MODELING OF TRANSPORT IN THE DARHT II BEAMLINE ON ETA II

    Energy Technology Data Exchange (ETDEWEB)

    Chambers, F W; Raymond, B A; Falabella, S; Lee, B S; Richardson, R A; Weir, J T; Davis, H A; Schultze, M E

    2005-05-31

    To successfully tune the DARHT II transport beamline requires the close coupling of a model of the beam transport and the measurement of the beam observables as the beam conditions and magnet settings are varied. For the ETA II experiment using the DARHT II beamline components this was achieved using the SUICIDE (Simple User Interface Connecting to an Integrated Data Environment) data analysis environment and the FITS (Fully Integrated Transport Simulation) model. The SUICIDE environment has direct access to the experimental beam transport data at acquisition and the FITS predictions of the transport for immediate comparison. The FITS model is coupled into the control system where it can read magnet current settings for real time modeling. We find this integrated coupling is essential for model verification and the successful development of a tuning aid for the efficient convergence on a useable tune. We show the real time comparisons of simulation and experiment and explore the successes and limitations of this close coupled approach.

  11. Single-file diffusion and neurotransmitter transporters: Hodgkin and Keynes model revisited.

    Science.gov (United States)

    DeFelice, L J; Adams, S V; Ypey, D L

    2001-01-01

    Norepinephrine transporters (NETs) use the Na gradient to remove norepinephrine (NE) from the synaptic cleft of adrenergic neurons following NE release from the presynaptic terminal. By coupling NE to the inwardly directed Na gradient, it is possible to concentrate NE inside cells. This mechanism, which is referred to as co-transport or secondary transport (Läuger, 1991, Electrogenic Ion Pumps, Sinauer Associates) is apparently universal: Na coupled transport applies to serotonin transporters (SERTs), dopamine transporters (DATs), glutamate transporters, and many others, including transporters for osmolites, metabolites and substrates such as sugar. Recently we have shown that NETs and SERTs transport norepinephrine or serotonin as if Na and the transmitter permeated through an ion channel together 'Galli et al., 1998, PNAS 95, 13260-13265; Petersen and DeFelice, 1999, Nature Neurosci. 2, 605-610'. These data are paradoxical because it has been difficult to envisage how NE, for example, would couple to Na if these ions move passively through an open pore. An 'alternating access' model is usually evoked to explain coupling: in such models NE and Na bind to NET, which then undergoes a conformational change to release NE and Na on the inside. The empty transporter then turns outward to complete the cycle. Alternating-access models never afford access to an open channel. Rather, substrates and co-transported ions are occluded in the transporter and carried across the membrane. The coupling mechanism we propose is fundamentally different than the coupling mechanism evoked in the alternating access model. To explain coupling in co-transporters, we use a mechanism first evoked by 'Hodgkin and Keynes (1955) J. Physiol. 128, 61-88' to explain ion interactions in K-selective channels. In the Hodgkin and Keynes model, K ions move single-file through a long narrow pore. Their model accounted for the inward/outward flux ratio if they assumed that two K ions queue within the

  12. Proton-coupled sugar transport in the prototypical major facilitator superfamily protein XylE.

    Science.gov (United States)

    Wisedchaisri, Goragot; Park, Min-Sun; Iadanza, Matthew G; Zheng, Hongjin; Gonen, Tamir

    2014-08-04

    The major facilitator superfamily (MFS) is the largest collection of structurally related membrane proteins that transport a wide array of substrates. The proton-coupled sugar transporter XylE is the first member of the MFS that has been structurally characterized in multiple transporting conformations, including both the outward and inward-facing states. Here we report the crystal structure of XylE in a new inward-facing open conformation, allowing us to visualize the rocker-switch movement of the N-domain against the C-domain during the transport cycle. Using molecular dynamics simulation, and functional transport assays, we describe the movement of XylE that facilitates sugar translocation across a lipid membrane and identify the likely candidate proton-coupling residues as the conserved Asp27 and Arg133. This study addresses the structural basis for proton-coupled substrate transport and release mechanism for the sugar porter family of proteins.

  13. The double-temperature ratchet model and current reversal of coupled Brownian motors

    CERN Document Server

    Li, Chen-pu; Zheng, Zhi-gang

    2016-01-01

    Based on the transport features and experimental phenomena observed in studies of molecular motors, we proposed the double-temperature ratchet model of coupled motors to reveal the dynamical mechanism of cooperative transport of motors with two heads, where the interactions and the asynchronous between two motor heads are taken into account. We investigated the collective unidirectional transport of coupled system, and find that the direction of motion can be inversed under certain conditions. Inverse motion can be achieved by modulating the coupling strength, the coupling free length and the asymmetric efficient of the periodic potential, which is understood in terms of the effective-potential theory. The dependence of directed current on various parameters is studied systematically. Directed transport of coupled Brownian motors can be manipulated and optimized by adjusting pulsating period or the phase shift of the pulsating temperature.

  14. Playing with fermion couplings in Higgsless models

    CERN Document Server

    Casalbuoni, R; Dolce, D; Dominici, Daniele

    2005-01-01

    We discuss the fermion couplings in a four dimensional SU(2) linear moose model by allowing for direct couplings between the left-handed fermions on the boundary and the gauge fields in the internal sites. This is realized by means of a product of non linear $\\sigma$-model scalar fields which, in the continuum limit, is equivalent to a Wilson line. The effect of these new non local couplings is a contribution to the $\\epsilon_3$ parameter which can be of opposite sign with respect to the one coming from the gauge fields along the string. Therefore, with some fine tuning, it is possible to satisfy the constraints from the electroweak data.

  15. SATURATED ZONE FLOW AND TRANSPORT MODEL ABSTRACTION

    Energy Technology Data Exchange (ETDEWEB)

    B.W. ARNOLD

    2004-10-27

    The purpose of the saturated zone (SZ) flow and transport model abstraction task is to provide radionuclide-transport simulation results for use in the total system performance assessment (TSPA) for license application (LA) calculations. This task includes assessment of uncertainty in parameters that pertain to both groundwater flow and radionuclide transport in the models used for this purpose. This model report documents the following: (1) The SZ transport abstraction model, which consists of a set of radionuclide breakthrough curves at the accessible environment for use in the TSPA-LA simulations of radionuclide releases into the biosphere. These radionuclide breakthrough curves contain information on radionuclide-transport times through the SZ. (2) The SZ one-dimensional (I-D) transport model, which is incorporated in the TSPA-LA model to simulate the transport, decay, and ingrowth of radionuclide decay chains in the SZ. (3) The analysis of uncertainty in groundwater-flow and radionuclide-transport input parameters for the SZ transport abstraction model and the SZ 1-D transport model. (4) The analysis of the background concentration of alpha-emitting species in the groundwater of the SZ.

  16. Solute transport in coupled inland-coastal water systems. General conceptualisation and application to Forsmark

    Energy Technology Data Exchange (ETDEWEB)

    Jarsjoe, Jerker; Destouni, Georgia; Persson, Klas; Prieto, Carmen (Dept. of Physical Geography, Quaternary Geology, Stockholm Univ., Stockholm (Sweden))

    2007-12-15

    diffuse and occurring through SGD, small transient streams and/or coastal wetlands. Regarding transport quantifications, hydrogeochemical characteristics and pollution source loads may generally differ between larger, monitored catchments and smaller unmonitored coastal catchments. Since national hydrological monitoring data systematically exclude smaller, coastal catchments, they may not be representative for conditions in Forsmark (or Laxemar-Simpevarp). This emphasises the importance of extending in time the recently started hydrological and hydrogeochemical data series in the Forsmark and Laxemar-Simpevarp coastal catchment areas, since they are in effect unmonitored from a hydrological viewpoint, due to the lack of extended discharge time series. In the performed initial demonstration analysis of solute transport pathways from deep groundwater to recipients at the surface, we considered the main scenarios: (I) transport in the Quaternary deposits-bedrock interface zone only, and (II) transport in the coupled groundwater-surface water system. Considering mean travel times from each model cell to the coast, and disregarding travel times in the deep bedrock domain itself (which may be added to the here presented values), results show that travel times in scenario (II) were less than 4 years in 90% of the considered model area. Travel times were longer in scenario (I) with values higher than 10 years in 40% of the catchment area. These results are based on the assumption that the pathways do not go through zones of near-stagnant groundwater. If they would do so (and the above assumption is violated), results show that travel times can be considerably longer, for instance exceeding 400 years in half of the model area in scenario (I). Considering possible solute attenuation (caused by e.g. biogeochemical reactions or decay) along the hydrological transport pathways to inland surface waters and to the coast, we estimate solute mass delivery factors, representing the

  17. Solute transport in coupled inland-coastal water systems. General conceptualisation and application to Forsmark

    Energy Technology Data Exchange (ETDEWEB)

    Jarsjoe, Jerker; Destouni, Georgia; Persson, Klas; Prieto, Carmen (Dept. of Physical Geography, Quaternary Geology, Stockholm Univ., Stockholm (Sweden))

    2007-12-15

    diffuse and occurring through SGD, small transient streams and/or coastal wetlands. Regarding transport quantifications, hydrogeochemical characteristics and pollution source loads may generally differ between larger, monitored catchments and smaller unmonitored coastal catchments. Since national hydrological monitoring data systematically exclude smaller, coastal catchments, they may not be representative for conditions in Forsmark (or Laxemar-Simpevarp). This emphasises the importance of extending in time the recently started hydrological and hydrogeochemical data series in the Forsmark and Laxemar-Simpevarp coastal catchment areas, since they are in effect unmonitored from a hydrological viewpoint, due to the lack of extended discharge time series. In the performed initial demonstration analysis of solute transport pathways from deep groundwater to recipients at the surface, we considered the main scenarios: (I) transport in the Quaternary deposits-bedrock interface zone only, and (II) transport in the coupled groundwater-surface water system. Considering mean travel times from each model cell to the coast, and disregarding travel times in the deep bedrock domain itself (which may be added to the here presented values), results show that travel times in scenario (II) were less than 4 years in 90% of the considered model area. Travel times were longer in scenario (I) with values higher than 10 years in 40% of the catchment area. These results are based on the assumption that the pathways do not go through zones of near-stagnant groundwater. If they would do so (and the above assumption is violated), results show that travel times can be considerably longer, for instance exceeding 400 years in half of the model area in scenario (I). Considering possible solute attenuation (caused by e.g. biogeochemical reactions or decay) along the hydrological transport pathways to inland surface waters and to the coast, we estimate solute mass delivery factors, representing the

  18. Logistics and Transport - a conceptual model

    DEFF Research Database (Denmark)

    Jespersen, Per Homann; Drewes, Lise

    2004-01-01

    This paper describes how the freight transport sector is influenced by logistical principles of production and distribution. It introduces new ways of understanding freight transport as an integrated part of the changing trends of mobility. By introducing a conceptual model for understanding...... the interaction between logistics and transport, it points at ways to over-come inherent methodological difficulties when studying this relation...

  19. Model for radionuclide transport in running waters

    Energy Technology Data Exchange (ETDEWEB)

    Jonsson, Karin; Elert, Mark [Kemakta Konsult AB, Stockholm (Sweden)

    2005-11-15

    , however, the approximation of equilibrium chemistry is assumed to be sufficient for order of magnitude predictions when a constant inflow of radionuclides is considered. A first sensitivity analysis of the model is performed in which different model parameters have been varied. At the time for the model development, almost no detailed site-specific information about e.g. channel geometry or sediment characteristics were available. Simulations were therefore performed for a hypothetical case, where the ranges of possible parameter values was based on literature information, generalizations from other stream systems and some site-specific information such as large-scale information of the morphology at the present sites. For order of magnitude predictions of the concentration or amount of radionuclides in the different parts of the stream ecosystem, a yearly mean value of the water flow was assumed to be sufficient. Therefore, the further sensitivity analyses were performed for constant flow conditions. The sensitivity analyses indicated that the main retention along the stream is due to uptake within the sediment. Initially, the uptake will cause a retardation of the solute transport. The sediment capacity is however limited and after saturation, the outflow of radionuclides in the longitudinal direction will be completely determined by the inflow to the system. The time for reaching this equilibrium and the equilibrium concentration in the sediment varies however with different conditions and radionuclides, e.g. due to sorption characteristics, sedimentation velocity and advective velocity within the sediment. The degree of variation caused by different factors is, however, different. In the simulations performed in this study, the time for reaching equilibrium ranges from less than a year to a couple of hundred years. For predictions of the dose to humans, the accumulated amount in the sediment should also be considered and not only the concentration in the stream water

  20. Reheating in nonminimal derivative coupling model

    CERN Document Server

    Sadjadi, H Mohseni

    2012-01-01

    We consider a model with nonminimal derivative coupling of inflaton to gravity. The reheating process during rapid oscillation of the inflaton is studied and the reheating temperature is obtained. Behaviors of the inflaton and produced radiation in this era are discussed.

  1. Effect of linear sorption on solute transport in a coupled fracture-matrix system with sinusoidal fracture geometry

    Directory of Open Access Journals (Sweden)

    N.Natarajan

    2010-10-01

    Full Text Available Modeling of solute transport through fractured rock is an important component of in many disciplines especially groundwater contamination and nuclear waste disposal. Several studies have been conducted on single rock fracture using parallel plate model and recently solute and thermal transport has been numerically modeled in the sinusoidal fracture matrix coupled system. The effect of linear sorption has been studied on the same. Results suggest the high matrix porosity and matrix diffusion coefficient enhance the sorption process and reduce the matrix diffusion of solutes. The velocity of the fluid reduces with increment in fracture aperture.

  2. RADIONUCLIDE TRANSPORT MODELS UNDER AMBIENT CONDITIONS

    Energy Technology Data Exchange (ETDEWEB)

    S. Magnuson

    2004-11-01

    The purpose of this model report is to document the unsaturated zone (UZ) radionuclide transport model, which evaluates, by means of three-dimensional numerical models, the transport of radioactive solutes and colloids in the UZ, under ambient conditions, from the repository horizon to the water table at Yucca Mountain, Nevada.

  3. Drift-Scale Coupled Processes (DST and THC Seepage) Models

    Energy Technology Data Exchange (ETDEWEB)

    P. Dixon

    2004-04-05

    The purpose of this Model Report (REV02) is to document the unsaturated zone (UZ) models used to evaluate the potential effects of coupled thermal-hydrological-chemical (THC) processes on UZ flow and transport. This Model Report has been developed in accordance with the ''Technical Work Plan for: Performance Assessment Unsaturated Zone'' (Bechtel SAIC Company, LLC (BSC) 2002 [160819]). The technical work plan (TWP) describes planning information pertaining to the technical scope, content, and management of this Model Report in Section 1.12, Work Package AUZM08, ''Coupled Effects on Flow and Seepage''. The plan for validation of the models documented in this Model Report is given in Attachment I, Model Validation Plans, Section I-3-4, of the TWP. Except for variations in acceptance criteria (Section 4.2), there were no deviations from this TWP. This report was developed in accordance with AP-SIII.10Q, ''Models''. This Model Report documents the THC Seepage Model and the Drift Scale Test (DST) THC Model. The THC Seepage Model is a drift-scale process model for predicting the composition of gas and water that could enter waste emplacement drifts and the effects of mineral alteration on flow in rocks surrounding drifts. The DST THC model is a drift-scale process model relying on the same conceptual model and much of the same input data (i.e., physical, hydrological, thermodynamic, and kinetic) as the THC Seepage Model. The DST THC Model is the primary method for validating the THC Seepage Model. The DST THC Model compares predicted water and gas compositions, as well as mineral alteration patterns, with observed data from the DST. These models provide the framework to evaluate THC coupled processes at the drift scale, predict flow and transport behavior for specified thermal-loading conditions, and predict the evolution of mineral alteration and fluid chemistry around potential waste emplacement drifts. The

  4. Role of inter-tube coupling and quantum interference on electrical transport in carbon nanotube junctions

    Science.gov (United States)

    Tripathy, Srijeet; Bhattacharyya, Tarun Kanti

    2016-09-01

    Due to excellent transport properties, Carbon nanotubes (CNTs) show a lot of promise in sensor and interconnect technology. However, recent studies indicate that the conductance in CNT/CNT junctions are strongly affected by the morphology and orientation between the tubes. For proper utilization of such junctions in the development of CNT based technology, it is essential to study the electronic properties of such junctions. This work presents a theoretical study of the electrical transport properties of metallic Carbon nanotube homo-junctions. The study focuses on discerning the role of inter-tube interactions, quantum interference and scattering on the transport properties on junctions between identical tubes. The electronic structure and transport calculations are conducted with an Extended Hückel Theory-Non Equilibrium Green's Function based model. The calculations indicate conductance to be varying with a changing crossing angle, with maximum conductance corresponding to lattice registry, i.e. parallel configuration between the two tubes. Further calculations for such parallel configurations indicate onset of short and long range oscillations in conductance with respect to changing overlap length. These oscillations are attributed to inter-tube coupling effects owing to changing π orbital overlap, carrier scattering and quantum interference of the incident, transmitted and reflected waves at the inter-tube junction.

  5. Biological transportation networks: Modeling and simulation

    KAUST Repository

    Albi, Giacomo

    2015-09-15

    We present a model for biological network formation originally introduced by Cai and Hu [Adaptation and optimization of biological transport networks, Phys. Rev. Lett. 111 (2013) 138701]. The modeling of fluid transportation (e.g., leaf venation and angiogenesis) and ion transportation networks (e.g., neural networks) is explained in detail and basic analytical features like the gradient flow structure of the fluid transportation network model and the impact of the model parameters on the geometry and topology of network formation are analyzed. We also present a numerical finite-element based discretization scheme and discuss sample cases of network formation simulations.

  6. Parallelization of the Coupled Earthquake Model

    Science.gov (United States)

    Block, Gary; Li, P. Peggy; Song, Yuhe T.

    2007-01-01

    This Web-based tsunami simulation system allows users to remotely run a model on JPL s supercomputers for a given undersea earthquake. At the time of this reporting, predicting tsunamis on the Internet has never happened before. This new code directly couples the earthquake model and the ocean model on parallel computers and improves simulation speed. Seismometers can only detect information from earthquakes; they cannot detect whether or not a tsunami may occur as a result of the earthquake. When earthquake-tsunami models are coupled with the improved computational speed of modern, high-performance computers and constrained by remotely sensed data, they are able to provide early warnings for those coastal regions at risk. The software is capable of testing NASA s satellite observations of tsunamis. It has been successfully tested for several historical tsunamis, has passed all alpha and beta testing, and is well documented for users.

  7. Electrical transport through a single-electron transistor strongly coupled to an oscillator

    Science.gov (United States)

    Doiron, C. B.; Belzig, W.; Bruder, C.

    2006-11-01

    We investigate electrical transport through a single-electron transistor coupled to a nanomechanical oscillator. Using a combination of a master-equation approach and a numerical Monte Carlo method, we calculate the average current and the current noise in the strong-coupling regime, studying deviations from previously derived analytic results valid in the limit of weak coupling. After generalizing the weak-coupling theory to enable the calculation of higher cumulants of the current, we use our numerical approach to study how the third cumulant is affected in the strong-coupling regime. In this case, we find an interesting crossover between a weak-coupling transport regime where the third cumulant heavily depends on the frequency of the oscillator to one where it becomes practically independent of this parameter. Finally, we study the spectrum of the transport noise and show that the two peaks found in the weak-coupling limit merge on increasing the coupling strength. Our calculation of the frequency dependence of the noise also allows one to describe how transport-induced damping of the mechanical oscillations is affected in the strong-coupling regime.

  8. A Sediment Transport Model for Sewers

    DEFF Research Database (Denmark)

    Mark, Ole; Larsson, Johan; Larsen, Torben

    1993-01-01

    This paper describes a mathematical model for transport processes in sewers. The model consists of three sub models, a surface model for the description of the buildup and the washoff of sediment particles from the surface area, a morphological model and an advection-dispersion model. The model...

  9. Development of a Coupled WEPP-WQ model

    Science.gov (United States)

    WANG, L.; Flanagan, D. C.; Cherkauer, K. A.

    2013-12-01

    Non-point source (NPS) pollutants, especially from agriculture, continue to be a primary source of water quality degradation problems. Farmers need to take effective land managements at field scales for minimizing nutrient losses that could pollute streams. But existing NPS models cannot directly estimate the impacts of different land managements or testify the effectiveness of combined BMPs in a distributed way at farm scale with the application of USLE or its improved version in a lumped way. Here we developed the coupled WEPP-WQ model and evaluated simulations of hydrology, soil erosion and water quality from this coupled model. WEPP is a well-established process-based model that simulations runoff and erosion processes from a hill slope. The water quality components are based on the SPELL OUT (EPIC) model and the water quality algorithms within SPELL OUT (SWAT). Our test case uses a single Overland Flow Element (OFE) to represent land use on a hill slope, but in the next phase of development we will evaluate WEPP-WQ's ability to modify the transport of nutrients and sediment as runoff from the hill slope encounters multiple OFEs representing different land uses. WEPP-WQ was tested by comparing simulated values from the coupled model and observed nutrients and sediment concentrations in surface runoff following storm events at an experimental site near Waterloo, IN, U.S..

  10. Modeling transport and aggregation of volcanic ash particles

    Science.gov (United States)

    Costa, Antonio; Folch, Arnau; Macedonio, Giovanni; Durant, Adam

    2010-05-01

    A complete description of ash aggregation processes in volcanic clouds is an very arduous task and the full coupling of ash transport and ash aggregation models is still computationally prohibitive. A large fraction of fine ash injected in the atmosphere during explosive eruptions aggregate because of complex interactions of surface liquid layers, electrostatic forces, and differences in settling velocities. The formation of aggregates of size and density different from those of the primary particles dramatically changes the sedimentation dynamics and results in lower atmospheric residence times of ash particles and in the formation of secondary maxima of tephra deposit. Volcanic ash transport models should include a full aggregation model accounting for all particle class interaction. However this approach would require prohibitive computational times. Here we present a simplified model for wet aggregation that accounts for both atmospheric and volcanic water transport. The aggregation model assumes a fractal relationship for the number of primary particles in aggregates, average efficiencies factors, and collision frequency functions accounting for Brownian motion, laminar and turbulent fluid shear, and differential settling velocity. We implemented the aggregation model in the WRF+FALL3D coupled modelling system and applied it to different eruptions where aggregation has been recognized to play an important role, such as the August and September 1992 Crater Peak eruptions and the 1980 Mt St Helens eruption. Moreover, understanding aggregation processes in volcanic clouds will contribute to mitigate the risks related with volcanic ash transport and sedimentation.

  11. Quantum transport in ferromagnetic graphene super lattice in the presence of Rashba spin–orbit coupling

    Energy Technology Data Exchange (ETDEWEB)

    Hasanirokh, Kobra; Esmaelpour, Mohammad; Mohammadpour, Hakimeh; Phirouznia, Arash

    2014-05-01

    Using the transfer matrix method, we study the electron transport through a single-layer graphene superlattice with alternating layers of ferromagnetic and normal regions with Rashba spin–orbit coupling. We show that the transport properties of the system depend strongly on the superlattice parameters. As another result, Rashba spin–orbit coupling manifests to be of crucial importance in controlling the transmission probabilities and Giant Magneto Resistance (GMR).

  12. The lateral intercellular space as osmotic coupling compartment in isotonic transport

    DEFF Research Database (Denmark)

    Larsen, E.H.; Willumsen, N.J.; Mobjerg, N.

    2009-01-01

    the epithelial cells from both sides, and with the reflection coefficient of tight junction being larger than that of the interspace basement membrane, all of the water leaves the epithelium through the interspace basement membrane. The common design of transporting epithelia leads to the theory that an osmotic......Solute-coupled water transport and isotonic transport are basic functions of low- and high-resistance epithelia. These functions are studied with the epithelium bathed on the two sides with physiological saline of similar composition. Hence, at transepithelial equilibrium water enters...... solute-water coupling: stoichiometric coupling at the molecular level by transport proteins like SGLT1, electro-osmosis and a 'junctional fluid transfer mechanism'. Convection-diffusion out of the lateral space constitutes the fundamental problem of isotonic transport by making the emerging fluid...

  13. Coupled Seepage and Heat Transfer Intake Model

    Institute of Scientific and Technical Information of China (English)

    WU Junhua; YOU Shijun; ZHANG Huan; LI Haishan

    2009-01-01

    In the beach well intake system, heat is transferred from soil to fluid when seawater is filtered through the aquifer, providing higher temperature source water to the seawater source heat pump (SWHP) system in winter. A 3-D coupled seepage and heat transfer model for studying beach well intake system is established by adopting the computer code FLUENT. Numerical results of this model are compared with the experimental results under the same conditions. Based on the experiment-verified coupled model, numerical simulation of the supply water temperature is studied over a heating season. Results show that the minimum temperature of supply water is 275.2 K when this intake system continuously provides seawater with flow rate of 35 m3/h to SWHP. Results also indicate that the supply water temperature is higher than seawater, and that the minimum temperature of supply water lags behind seawater, ensuring effective and reliable operation of SWHP.

  14. Coupled binding mechanism of three sodium ions and aspartate in the glutamate transporter homologue GltTk

    NARCIS (Netherlands)

    Guskov, Albert; Jensen, Sonja; Faustino, Ignacio; Marrink, Siewert J.; Slotboom, Dirk Jan

    2016-01-01

    Glutamate transporters catalyse the thermodynamically unfavourable transport of anionic amino acids across the cell membrane by coupling it to the downhill transport of cations. This coupling mechanism is still poorly understood, in part because the available crystal structures of these transporters

  15. Coupled binding mechanism of three sodium ions and aspartate in the glutamate transporter homologue GltTk

    NARCIS (Netherlands)

    Guskov, Albert; Jensen, Sonja; Faustino, Ignacio; Marrink, Siewert J.; Slotboom, Dirk Jan

    2016-01-01

    Glutamate transporters catalyse the thermodynamically unfavourable transport of anionic amino acids across the cell membrane by coupling it to the downhill transport of cations. This coupling mechanism is still poorly understood, in part because the available crystal structures of these transporters

  16. Development of interfacial area transport equation - modeling and experimental benchmark

    Energy Technology Data Exchange (ETDEWEB)

    Ishii, M. [Purdue Univ., West Lafayette, Indiana (United States)

    2011-07-01

    A dynamic treatment of interfacial area concentration has been studied over the last decade by employing the interfacial area transport equation. When coupled with the two-fluid model, the interfacial area transport equation replaces the flow regime dependent correlations for interfacial area concentration and eliminates potential artificial bifurcation or numerical oscillations stemming from these static correlations. An extensive database has been established to evaluate the model under various two-phase flow conditions. These include adiabatic and heated conditions, vertical and horizontal flow orientations, round, rectangular, annulus and 8×8 rod bundle channel geometries, and normal-gravity and simulated reduced-gravity conditions. This paper reviews the current state-of-the-art in the development of the interfacial area transport equation, available experimental databases and 1D and 3D benchmarking work of the interfacial area transport equation. (author)

  17. Na+ : Aspartate Coupling Stoichiometry in the Glutamate Transporter Homologue Glt(Ph)

    NARCIS (Netherlands)

    Groeneveld, Maarten; Slotboom, Dirk-Jan

    2010-01-01

    The Na+ aspartate symporter Glt(Ph) from Pyrococcus horikoshil is the only member of the glutamate transporter family for which crystal structures have been determined. The cation:aspartate coupling stoichiometry is unknown, thus hampering the elucidation of the ion coupling mechanism. Here we measu

  18. Na+ : Aspartate Coupling Stoichiometry in the Glutamate Transporter Homologue Glt(Ph)

    NARCIS (Netherlands)

    Groeneveld, Maarten; Slotboom, Dirk-Jan

    2010-01-01

    The Na+ aspartate symporter Glt(Ph) from Pyrococcus horikoshil is the only member of the glutamate transporter family for which crystal structures have been determined. The cation:aspartate coupling stoichiometry is unknown, thus hampering the elucidation of the ion coupling mechanism. Here we measu

  19. Transport signatures of topological superconductivity in a proximity-coupled nanowire

    Science.gov (United States)

    Reeg, Christopher; Maslov, Dmitrii L.

    2017-05-01

    We study the conductance of a junction between the normal and superconducting segments of a nanowire, both of which are subjected to spin-orbit coupling and an external magnetic field. We directly compare the transport properties of the nanowire assuming two different models for the superconducting segment: one where we put superconductivity by hand into the wire and one where superconductivity is induced through a tunneling junction with a bulk s -wave superconductor. While these two models are equivalent at low energies and at weak coupling between the nanowire and the superconductor, we show that there are several interesting qualitative differences away from these two limits. In particular, the tunneling model introduces an additional conductance peak at the energy corresponding to the bulk gap of the parent superconductor. By employing a combination of analytical methods at zero temperature and numerical methods at finite temperature, we show that the tunneling model of the proximity effect reproduces many more of the qualitative features that are seen experimentally in such a nanowire system.

  20. The european Trans-Tools transport model

    NARCIS (Netherlands)

    Rooijen, T. van; Burgess, A.

    2008-01-01

    The paper presents the use of ArcGIS in the Transtools Transport Model, TRANS-TOOLS, created by an international consortium for the European Commission. The model describe passenger as well as freight transport in Europe with all medium and long distance modes (cars, vans, trucks, train, inland

  1. The european Trans-Tools transport model

    NARCIS (Netherlands)

    Rooijen, T. van; Burgess, A.

    2008-01-01

    The paper presents the use of ArcGIS in the Transtools Transport Model, TRANS-TOOLS, created by an international consortium for the European Commission. The model describe passenger as well as freight transport in Europe with all medium and long distance modes (cars, vans, trucks, train, inland wate

  2. Crystal Structure of a Phosphorylation-coupled Saccharide Transporter

    Energy Technology Data Exchange (ETDEWEB)

    Y Cao; X Jin; E Levin; H Huang; Y Zong; W Hendrickson; J Javitch; K Rajashankar; M Zhou; et al.

    2011-12-31

    Saccharides have a central role in the nutrition of all living organisms. Whereas several saccharide uptake systems are shared between the different phylogenetic kingdoms, the phosphoenolpyruvate-dependent phosphotransferase system exists almost exclusively in bacteria. This multi-component system includes an integral membrane protein EIIC that transports saccharides and assists in their phosphorylation. Here we present the crystal structure of an EIIC from Bacillus cereus that transports diacetylchitobiose. The EIIC is a homodimer, with an expansive interface formed between the amino-terminal halves of the two protomers. The carboxy-terminal half of each protomer has a large binding pocket that contains a diacetylchitobiose, which is occluded from both sides of the membrane with its site of phosphorylation near the conserved His250 and Glu334 residues. The structure shows the architecture of this important class of transporters, identifies the determinants of substrate binding and phosphorylation, and provides a framework for understanding the mechanism of sugar translocation.

  3. Lattice Boltzmann technique for heat transport phenomena coupled with melting process

    Science.gov (United States)

    Ibrahem, A. M.; El-Amin, M. F.; Mohammadein, A. A.; Gorla, Rama Subba Reddy

    2016-04-01

    In this work, the heat transport phenomena coupled with melting process are studied by using the enthalpy-based lattice Boltzmann method (LBM). The proposed model is a modified version of thermal LB model, where could avoid iteration steps and ensures high accuracy. The Bhatnagar-Gross-Krook (BGK) approximation with a D1Q2 lattice was used to determine the temperature field for one-dimensional melting by conduction and multi-distribution functions (MDF) with D2Q9 lattice was used to determine the density, velocity and temperature fields for two-dimensional melting by natural convection. Different boundary conditions including Dirichlet, adiabatic and bounce-back boundary conditions were used. The influence of increasing Rayleigh number (from 103 to 105) on temperature distribution and melting process is studied. The obtained results show that a good agreement with the analytical solution for melting by conduction case and with the benchmark solution for melting by convection.

  4. Lattice Boltzmann technique for heat transport phenomena coupled with melting process

    Science.gov (United States)

    Ibrahem, A. M.; El-Amin, M. F.; Mohammadein, A. A.; Gorla, Rama Subba Reddy

    2017-01-01

    In this work, the heat transport phenomena coupled with melting process are studied by using the enthalpy-based lattice Boltzmann method (LBM). The proposed model is a modified version of thermal LB model, where could avoid iteration steps and ensures high accuracy. The Bhatnagar-Gross-Krook (BGK) approximation with a D1Q2 lattice was used to determine the temperature field for one-dimensional melting by conduction and multi-distribution functions (MDF) with D2Q9 lattice was used to determine the density, velocity and temperature fields for two-dimensional melting by natural convection. Different boundary conditions including Dirichlet, adiabatic and bounce-back boundary conditions were used. The influence of increasing Rayleigh number (from 103 to 105) on temperature distribution and melting process is studied. The obtained results show that a good agreement with the analytical solution for melting by conduction case and with the benchmark solution for melting by convection.

  5. Energy Coupling of Facilitated Transport of Inorganic Ions in Rhodopseudomonas sphaeroides

    NARCIS (Netherlands)

    Hellingwerf, K; Friedberg, Ilan; Lolkema, Juke S.; Michels, Paul A.M.; Konings, Wilhelmus

    1982-01-01

    Within the scope of a study on the effects of changes in medium composition on the proton motive force in Rhodopseudomonas sphaeroides, the energy coupling of sodium, phosphate, and potassium (rubidium) transport was investigated. Sodium was transported via an electroneutral exchange system against

  6. A Fully Coupled Computational Model of the Silylation Process

    Energy Technology Data Exchange (ETDEWEB)

    G. H. Evans; R. S. Larson; V. C. Prantil; W. S. Winters

    1999-02-01

    This report documents the development of a new finite element model of the positive tone silylation process. Model development makes use of pre-existing Sandia technology used to describe coupled thermal-mechanical behavior in deforming metals. Material properties and constitutive models were obtained from the literature. The model is two-dimensional and transient and focuses on the part of the lithography process in which crosslinked and uncrosslinked resist is exposed to a gaseous silylation agent. The model accounts for the combined effects of mass transport (diffusion of silylation agent and reaction product), chemical reaction resulting in the uptake of silicon and material swelling, the generation of stresses, and the resulting material motion. The influence of stress on diffusion and reaction rates is also included.

  7. MOUNTAIN-SCALE COUPLED PROCESSES (TH/THC/THM)MODELS

    Energy Technology Data Exchange (ETDEWEB)

    Y.S. Wu

    2005-08-24

    This report documents the development and validation of the mountain-scale thermal-hydrologic (TH), thermal-hydrologic-chemical (THC), and thermal-hydrologic-mechanical (THM) models. These models provide technical support for screening of features, events, and processes (FEPs) related to the effects of coupled TH/THC/THM processes on mountain-scale unsaturated zone (UZ) and saturated zone (SZ) flow at Yucca Mountain, Nevada (BSC 2005 [DIRS 174842], Section 2.1.1.1). The purpose and validation criteria for these models are specified in ''Technical Work Plan for: Near-Field Environment and Transport: Coupled Processes (Mountain-Scale TH/THC/THM, Drift-Scale THC Seepage, and Drift-Scale Abstraction) Model Report Integration'' (BSC 2005 [DIRS 174842]). Model results are used to support exclusion of certain FEPs from the total system performance assessment for the license application (TSPA-LA) model on the basis of low consequence, consistent with the requirements of 10 CFR 63.342 [DIRS 173273]. Outputs from this report are not direct feeds to the TSPA-LA. All the FEPs related to the effects of coupled TH/THC/THM processes on mountain-scale UZ and SZ flow are discussed in Sections 6 and 7 of this report. The mountain-scale coupled TH/THC/THM processes models numerically simulate the impact of nuclear waste heat release on the natural hydrogeological system, including a representation of heat-driven processes occurring in the far field. The mountain-scale TH simulations provide predictions for thermally affected liquid saturation, gas- and liquid-phase fluxes, and water and rock temperature (together called the flow fields). The main focus of the TH model is to predict the changes in water flux driven by evaporation/condensation processes, and drainage between drifts. The TH model captures mountain-scale three-dimensional flow effects, including lateral diversion and mountain-scale flow patterns. The mountain-scale THC model evaluates TH effects on

  8. Modelling of transport and biogeochemical processes in pollution plumes: Literature review of model development

    DEFF Research Database (Denmark)

    Brun, A.; Engesgaard, Peter Knudegaard

    2002-01-01

    A literature survey shows how biogeochemical (coupled organic and inorganic reaction processes) transport models are based on considering the complete biodegradation process as either a single- or as a two-step process. It is demonstrated that some two-step process models rely on the Partial Equi...

  9. Optimal transportation networks models and theory

    CERN Document Server

    Bernot, Marc; Morel, Jean-Michel

    2009-01-01

    The transportation problem can be formalized as the problem of finding the optimal way to transport a given measure into another with the same mass. In contrast to the Monge-Kantorovitch problem, recent approaches model the branched structure of such supply networks as minima of an energy functional whose essential feature is to favour wide roads. Such a branched structure is observable in ground transportation networks, in draining and irrigation systems, in electrical power supply systems and in natural counterparts such as blood vessels or the branches of trees. These lectures provide mathematical proof of several existence, structure and regularity properties empirically observed in transportation networks. The link with previous discrete physical models of irrigation and erosion models in geomorphology and with discrete telecommunication and transportation models is discussed. It will be mathematically proven that the majority fit in the simple model sketched in this volume.

  10. Coupled intertwiner dynamics - a toy model for coupling matter to spin foam models

    CERN Document Server

    Steinhaus, Sebastian

    2015-01-01

    The universal coupling of matter and gravity is one of the most important features of general relativity. In quantum gravity, in particular spin foams, matter couplings have been defined in the past, yet the mutual dynamics, in particular if matter and gravity are strongly coupled, are hardly explored, which is related to the definition of both matter and gravitational degrees of freedom on the discretisation. However extracting this mutual dynamics is crucial in testing the viability of the spin foam approach and also establishing connections to other discrete approaches such as lattice gauge theories. Therefore, we introduce a simple 2D toy model for Yang--Mills coupled to spin foams, namely an Ising model coupled to so--called intertwiner models defined for $\\text{SU}(2)_k$. The two systems are coupled by choosing the Ising coupling constant to depend on spin labels of the background, as these are interpreted as the edge lengths of the discretisation. We coarse grain this toy model via tensor network renor...

  11. A coupled chemotaxis-fluid model: Global existence

    KAUST Repository

    Liu, Jian-Guo

    2011-09-01

    We consider a model arising from biology, consisting of chemotaxis equations coupled to viscous incompressible fluid equations through transport and external forcing. Global existence of solutions to the Cauchy problem is investigated under certain conditions. Precisely, for the chemotaxis-Navier- Stokes system in two space dimensions, we obtain global existence for large data. In three space dimensions, we prove global existence of weak solutions for the chemotaxis-Stokes system with nonlinear diffusion for the cell density.© 2011 Elsevier Masson SAS. All rights reserved.

  12. Coupled atmosphere-wildland fire modelling

    Directory of Open Access Journals (Sweden)

    Jacques Henri Balbi

    2009-10-01

    Full Text Available Simulating the interaction between fire and atmosphere is critical to the estimation of the rate of spread of the fire. Wildfire’s convection (i.e., entire plume can modify the local meteorology throughout the atmospheric boundary layer and consequently affect the fire propagation speed and behaviour. In this study, we use for the first time the Méso-NH meso-scale numerical model coupled to the point functional ForeFire simplified physical front-tracking wildfire model to investigate the differences introduced by the atmospheric feedback in propagation speed and behaviour. Both numerical models have been developed as research tools for operational models and are currently used to forecast localized extreme events. These models have been selected because they can be run coupled and support decisions in wildfire management in France and Europe. The main originalities of this combination reside in the fact that Méso-NH is run in a Large Eddy Simulation (LES configuration and that the rate of spread model used in ForeFire provides a physical formulation to take into account the effect of wind and slope. Simulations of typical experimental configurations show that the numerical atmospheric model is able to reproduce plausible convective effects of the heat produced by the fire. Numerical results are comparable to estimated values for fire-induced winds and present behaviour similar to other existing numerical approaches.

  13. Up-gradient transport in a probabilistic transport model

    DEFF Research Database (Denmark)

    Gavnholt, J.; Juul Rasmussen, J.; Garcia, O.E.

    2005-01-01

    The transport of particles or heat against the driving gradient is studied by employing a probabilistic transport model with a characteristic particle step length that depends on the local concentration or heat gradient. When this gradient is larger than a prescribed critical value, the standard...... deviation of the step size is large compared to its value when the gradient is below critical. For symmetric as well as asymmetric off-axis fueling, the model is capable of producing profiles peaking at the axis. Additionally, profile consistency is obtained over a broad range of source strengths....... These results supplement recent works by van Milligen [Phys. Plasmas 11, 3787 (2004)], which applied Levy distributed step sizes in the case of supercritical gradients to obtain the up-gradient transport. (c) 2005 American Institute of Physics....

  14. Towards Better Coupling of Hydrological Simulation Models

    Science.gov (United States)

    Penton, D.; Stenson, M.; Leighton, B.; Bridgart, R.

    2012-12-01

    Standards for model interoperability and scientific workflow software provide techniques and tools for coupling hydrological simulation models. However, model builders are yet to realize the benefits of these and continue to write ad hoc implementations and scripts. Three case studies demonstrate different approaches to coupling models, the first using tight interfaces (OpenMI), the second using a scientific workflow system (Trident) and the third using a tailored execution engine (Delft Flood Early Warning System - Delft-FEWS). No approach was objectively better than any other approach. The foremost standard for coupling hydrological models is the Open Modeling Interface (OpenMI), which defines interfaces for models to interact. An implementation of the OpenMI standard involves defining interchange terms and writing a .NET/Java wrapper around the model. An execution wrapper such as OatC.GUI or Pipistrelle executes the models. The team built two OpenMI implementations for eWater Source river system models. Once built, it was easy to swap river system models. The team encountered technical challenges with versions of the .Net framework (3.5 calling 4.0) and with the performance of the execution wrappers when running daily simulations. By design, the OpenMI interfaces are general, leaving significant decisions around the semantics of the interfaces to the implementer. Increasingly, scientific workflow tools such as Kepler, Taverna and Trident are able to replace custom scripts. These tools aim to improve the provenance and reproducibility of processing tasks. In particular, Taverna and the myExperiment website have had success making many bioinformatics workflows reusable and sharable. The team constructed Trident activities for hydrological software including IQQM, REALM and eWater Source. They built an activity generator for model builders to build activities for particular river systems. The models were linked at a simulation level, without any daily time

  15. Development of a coupled wave-flow-vegetation interaction model

    Science.gov (United States)

    Beudin, Alexis; Kalra, Tarandeep; Ganju, Neil Kamal; Warner, John C.

    2017-01-01

    Emergent and submerged vegetation can significantly affect coastal hydrodynamics. However, most deterministic numerical models do not take into account their influence on currents, waves, and turbulence. In this paper, we describe the implementation of a wave-flow-vegetation module into a Coupled-Ocean-Atmosphere-Wave-Sediment Transport (COAWST) modeling system that includes a flow model (ROMS) and a wave model (SWAN), and illustrate various interacting processes using an idealized shallow basin application. The flow model has been modified to include plant posture-dependent three-dimensional drag, in-canopy wave-induced streaming, and production of turbulent kinetic energy and enstrophy to parameterize vertical mixing. The coupling framework has been updated to exchange vegetation-related variables between the flow model and the wave model to account for wave energy dissipation due to vegetation. This study i) demonstrates the validity of the plant posture-dependent drag parameterization against field measurements, ii) shows that the model is capable of reproducing the mean and turbulent flow field in the presence of vegetation as compared to various laboratory experiments, iii) provides insight into the flow-vegetation interaction through an analysis of the terms in the momentum balance, iv) describes the influence of a submerged vegetation patch on tidal currents and waves separately and combined, and v) proposes future directions for research and development.

  16. Development of a coupled wave-flow-vegetation interaction model

    Science.gov (United States)

    Beudin, Alexis; Kalra, Tarandeep S.; Ganju, Neil K.; Warner, John C.

    2017-03-01

    Emergent and submerged vegetation can significantly affect coastal hydrodynamics. However, most deterministic numerical models do not take into account their influence on currents, waves, and turbulence. In this paper, we describe the implementation of a wave-flow-vegetation module into a Coupled-Ocean-Atmosphere-Wave-Sediment Transport (COAWST) modeling system that includes a flow model (ROMS) and a wave model (SWAN), and illustrate various interacting processes using an idealized shallow basin application. The flow model has been modified to include plant posture-dependent three-dimensional drag, in-canopy wave-induced streaming, and production of turbulent kinetic energy and enstrophy to parameterize vertical mixing. The coupling framework has been updated to exchange vegetation-related variables between the flow model and the wave model to account for wave energy dissipation due to vegetation. This study i) demonstrates the validity of the plant posture-dependent drag parameterization against field measurements, ii) shows that the model is capable of reproducing the mean and turbulent flow field in the presence of vegetation as compared to various laboratory experiments, iii) provides insight into the flow-vegetation interaction through an analysis of the terms in the momentum balance, iv) describes the influence of a submerged vegetation patch on tidal currents and waves separately and combined, and v) proposes future directions for research and development.

  17. Uncertainty in tsunami sediment transport modeling

    Science.gov (United States)

    Jaffe, Bruce E.; Goto, Kazuhisa; Sugawara, Daisuke; Gelfenbaum, Guy R.; La Selle, SeanPaul M.

    2016-01-01

    Erosion and deposition from tsunamis record information about tsunami hydrodynamics and size that can be interpreted to improve tsunami hazard assessment. We explore sources and methods for quantifying uncertainty in tsunami sediment transport modeling. Uncertainty varies with tsunami, study site, available input data, sediment grain size, and model. Although uncertainty has the potential to be large, published case studies indicate that both forward and inverse tsunami sediment transport models perform well enough to be useful for deciphering tsunami characteristics, including size, from deposits. New techniques for quantifying uncertainty, such as Ensemble Kalman Filtering inversion, and more rigorous reporting of uncertainties will advance the science of tsunami sediment transport modeling. Uncertainty may be decreased with additional laboratory studies that increase our understanding of the semi-empirical parameters and physics of tsunami sediment transport, standardized benchmark tests to assess model performance, and development of hybrid modeling approaches to exploit the strengths of forward and inverse models.

  18. The Impact of Interlayer Electronic Coupling on Charge Transport in Organic Semiconductors: A Case Study on Titanylphthalocyanine Single Crystals.

    Science.gov (United States)

    Zhang, Zongpeng; Jiang, Lang; Cheng, Changli; Zhen, Yonggang; Zhao, Guangyao; Geng, Hua; Yi, Yuanping; Li, Liqiang; Dong, Huanli; Shuai, Zhigang; Hu, Wenping

    2016-04-18

    Traditionally, it is believed that three-dimensional transport networks are preferable to those of lower dimensions. We demonstrate that inter-layer electronic couplings may result in a drastic decrease of charge mobilities by utilizing field-effect transistors (FET) based on two phases of titanyl phthalocyanine (TiOPc) crystals. The α-phase crystals with electronic couplings along two dimensions show a maximum mobility up to 26.8 cm(2)  V(-1)  s(-1) . In sharp contrast, the β-phase crystals with extra significant inter-layer electronic couplings show a maximum mobility of only 0.1 cm(2)  V(-1)  s(-1) . Theoretical calculations on the bulk crystals and model slabs reveal that the inter-layer electronic couplings for the β-phase devices will diminish remarkably the device charge transport abilities owing to the coupling direction perpendicular to the current direction. This work provides new insights into the impact of the dimensionality and directionality of the packing arrangements on charge transport in organic semiconductors.

  19. Modelling transport of graded sediment under partial transport conditions

    NARCIS (Netherlands)

    Tuijnder, Arjan; Ribberink, Jan S.; Hulscher, Suzanne J.M.H.; Weerts, H.J.T.; Ritsema, I.L; van Os, A.G.

    2006-01-01

    Tentative plans are presented for research on the modelling of i) selective sediment transport in suspension and as bed-load, and ii) large-scale morphology in mixed sand-gravel bed rivers. Since the planning of the research is still in its early stages, the plans are flexible. Please feel free to

  20. Coupling fine particle and bedload transport in gravel-bedded streams

    Science.gov (United States)

    Park, Jungsu; Hunt, James R.

    2017-09-01

    Fine particles in the silt- and clay-size range are important determinants of surface water quality. Since fine particle loading rates are not unique functions of stream discharge this limits the utility of the available models for water quality assessment. Data from 38 minimally developed watersheds within the United States Geological Survey stream gauging network in California, USA reveal three lines of evidence that fine particle release is coupled with bedload transport. First, there is a transition in fine particle loading rate as a function of discharge for gravel-bedded sediments that does not appear when the sediment bed is composed of sand, cobbles, boulders, or bedrock. Second, the discharge at the transition in the loading rate is correlated with the initiation of gravel mobilization. Third, high frequency particle concentration and discharge data are dominated by clockwise hysteresis where rising limb discharges generally have higher concentrations than falling limb discharges. These three observations across multiple watersheds lead to a conceptual model that fine particles accumulate within the sediment bed at discharges less than the transition and then the gravel bed fluidizes with fine particle release at discharges above the transition discharge. While these observations were individually recognized in the literature, this analysis provides a consistent conceptual model based on the coupling of fine particle dynamics with filtration at low discharges and gravel bed fluidization at higher discharges.

  1. ITS Version 6 : the integrated TIGER series of coupled electron/photon Monte Carlo transport codes.

    Energy Technology Data Exchange (ETDEWEB)

    Franke, Brian Claude; Kensek, Ronald Patrick; Laub, Thomas William

    2008-04-01

    ITS is a powerful and user-friendly software package permitting state-of-the-art Monte Carlo solution of lineartime-independent coupled electron/photon radiation transport problems, with or without the presence of macroscopic electric and magnetic fields of arbitrary spatial dependence. Our goal has been to simultaneously maximize operational simplicity and physical accuracy. Through a set of preprocessor directives, the user selects one of the many ITS codes. The ease with which the makefile system is applied combines with an input scheme based on order-independent descriptive keywords that makes maximum use of defaults and internal error checking to provide experimentalists and theorists alike with a method for the routine but rigorous solution of sophisticated radiation transport problems. Physical rigor is provided by employing accurate cross sections, sampling distributions, and physical models for describing the production and transport of the electron/photon cascade from 1.0 GeV down to 1.0 keV. The availability of source code permits the more sophisticated user to tailor the codes to specific applications and to extend the capabilities of the codes to more complex applications. Version 6, the latest version of ITS, contains (1) improvements to the ITS 5.0 codes, and (2) conversion to Fortran 90. The general user friendliness of the software has been enhanced through memory allocation to reduce the need for users to modify and recompile the code.

  2. Experimental assessment of the influence of bedforms on coupled hyporheic flow and heat transport

    Science.gov (United States)

    Norman, F. A.; Chan, W. S.; Cardenas, M. B.

    2011-12-01

    Hyporheic flow influences both biogeochemical cycling in streambeds as well as streambed ecology. Biogeochemical processes may be temperature dependent, whereas heat transport may also be controlled by hyporheic flow, thereby providing feedback. We separately and experimentally assess the effects of hyporheic flow due to bed topography on thermal dynamics in the sediment using a custom, tilting flume with temperature controls. Diel temperature cycles of 6° C were imposed in the flume and propagation of temperature signals into the sediment was examined for different bed morphologies (plane bed, pool-riffle-pool, and rippled bed), channel flow rates, and sediment grain size. Temperature fields in the sediment were monitored using an array of embedded thermistors, and this data was used to identify zones of upwelling and downwelling within the hyporheic zone. Results suggest that bedforms do induce substantially deeper downwelling upstream and downstream of the bedforms, with upwelling near the crest. This in turn leads to substantial advective heat transport and distinct thermal patterns in the sediment. These results corroborate existing theoretical models of coupled hyporheic exchange and heat transport under bedforms. Hyporheic flow therefore affects thermal patchiness in sediment, which may in turn exert a control on biogeochemical reaction rates, and form thermal refugia for fauna.

  3. 3D contaminant migration model with consolidation dependent transport coefficients

    Institute of Scientific and Technical Information of China (English)

    Lu Huang; Cheng-Gang Zhao; Yan Liu; Guo-Qing Cai

    2012-01-01

    Soil consolidation would induce variations of its transport coefficients such as hydraulic conductivity and diffusion coefficient. This paper presents a study of the influence of barrier consolidation on transport coefficients,and a 3D transport model based on mixture theory is proposed for describing the liners that involve circular defects in the geomembrane.The elastoplastic ALPHA model is revised by using the spatially mobilized plane (SMP) criterion for simulating the deformation of the soils.Then,the 3D model coupling the nonlinear consolidation and contaminant advection-diffusion is solved using the finite element software ABAQUS.The results show that the importance of reducing the defect size in the geomembrane and the liner porosity to control the contaminant concentration increase.

  4. Charge-transport model for conducting polymers

    Science.gov (United States)

    Dongmin Kang, Stephen; Jeffrey Snyder, G.

    2016-11-01

    The growing technological importance of conducting polymers makes the fundamental understanding of their charge transport extremely important for materials and process design. Various hopping and mobility edge transport mechanisms have been proposed, but their experimental verification is limited to poor conductors. Now that advanced organic and polymer semiconductors have shown high conductivity approaching that of metals, the transport mechanism should be discernible by modelling the transport like a semiconductor with a transport edge and a transport parameter s. Here we analyse the electrical conductivity and Seebeck coefficient together and determine that most polymers (except possibly PEDOT:tosylate) have s = 3 and thermally activated conductivity, whereas s = 1 and itinerant conductivity is typically found in crystalline semiconductors and metals. The different transport in polymers may result from the percolation of charge carriers from conducting ordered regions through poorly conducting disordered regions, consistent with what has been expected from structural studies.

  5. Coupled ion Binding and Structural Transitions Along the Transport Cycle of Glutamate Transporters

    Energy Technology Data Exchange (ETDEWEB)

    Verdon, Gregory [Weill Cornell Medical College, New York, NY (United States); Oh, SeCheol [Weill Cornell Medical College, New York, NY (United States); Serio, Ryan N. [Weill Cornell Medical College, New York, NY (United States); Boudker, Olga [Weill Cornell Medical College, New York, NY (United States)

    2014-05-19

    Membrane transporters that clear the neurotransmitter glutamate from synapses are driven by symport of sodium ions and counter-transport of a potassium ion. Previous crystal structures of a homologous archaeal sodium and aspartate symporter showed that a dedicated transport domain carries the substrate and ions across the membrane. We report new crystal structures of this homologue in ligand-free and ions-only bound outward- and inward-facing conformations. We then show that after ligand release, the apo transport domain adopts a compact and occluded conformation that can traverse the membrane, completing the transport cycle. Sodium binding primes the transport domain to accept its substrate and triggers extracellular gate opening, which prevents inward domain translocation until substrate binding takes place. Moreover, we describe a new cation-binding site ideally suited to bind a counter-transported ion. We suggest that potassium binding at this site stabilizes the translocation-competent conformation of the unloaded transport domain in mammalian homologues.

  6. Improved modelling of atmospheric ammonia over Denmark using the coupled modelling system DAMOS

    DEFF Research Database (Denmark)

    Geels, Camilla; Andersen, Helle Vibeke; Skjøth, Carsten Ambelas

    2012-01-01

    at a given location originates from non-local emission sources. The local-scale model covers a domain of 16 km x 16 km, and of the locally released ammonia (NH3) within this domain, our simulations at five sites show that 14-27% of the locally (within 16 km x 16 km) emitted NH3 also deposits locally......A local-scale Gaussian dispersion-deposition model (OML-DEP) has been coupled to a regional chemistry-transport model (DEHM with a resolution of approximately 6 km x 6 km over Denmark) in the Danish Ammonia Modelling System, DAMOS. Thereby, it has been possible to model the distribution of ammonia...... the period 2005-2009. A standard time series analysis (using statistic parameters like correlation and bias) shows that the coupled model system captures the measured time series better than the regional- scale model alone. However, our study also shows that about 50% of the modelled concentration level...

  7. A Unified Mutual Coupling Model for Multiple Antenna Systems

    Institute of Scientific and Technical Information of China (English)

    WU Yu-jiang; NIE Zai-ping

    2006-01-01

    A unified mutual coupling model for multiple antenna communication systems based on moment methods is proposed. This model combines antenna coupling and RF front-end circuit coupling, thus providing a more accurate and complete analysis of the mutual coupling effect on multiple antenna systems.

  8. The standard model with gravity couplings

    CERN Document Server

    Chang, L N; Lay Nam Chang; Chopin Soo

    1996-01-01

    ABSTRACT-The Standard Model with Gravity Couplings-Lay Nam Chang(Virginia Tech) & Chopin Soo(Penn State)--- It has been shown by Ashtekar, and many others after him, that classical gravity in four dimensions can be described equally well by (anti)self-dual variables instead of the conventional variables. In this paper, we examine the coupling of matter fields to gravity from this perspective, and show that the known quark and lepton multiplets in the Standard Model of particle physics can be introduced into the theory in a manner which ensures the cancellation of perturbative chiral gauge anomalies, despite the fact that the the Ashtekar-Sen connection allows for couplings only to left-handed Weyl fermions. We also explore a global anomaly associated with the theory, and argue that its removal requires that the number of fundamental fermions in the theory must be multiples of 16. In addition, we investigate the behavior of the theory under discrete transformations P, C and T, and discuss possible violatio...

  9. Coupling of neutron transport equations. First results; Couplage d`equations en transport neutronique. premiere approche 1D monocinetique

    Energy Technology Data Exchange (ETDEWEB)

    Bal, G.

    1995-07-01

    To achieve whole core calculations of the neutron transport equation, we have to follow this 2 step method: space and energy homogenization of the assemblies; resolution of the homogenized equation on the whole core. However, this is no more valid when accidents occur (for instance depressurization causing locally strong heterogeneous media). One solution consists then in coupling two kinds of resolutions: a fine computation on the damaged cell (fine mesh, high number of energy groups) coupled with a coarse one everywhere else. We only deal here with steady state solutions (which already live in 6D spaces). We present here two such methods: The coupling by transmission of homogenized sections and the coupling by transmission of boundary conditions. To understand what this coupling is, we first restrict ourselves to 1D with respect to space in one energy group. The first two chapters deal with a recall of basic properties of the neutron transport equation. We give at chapter 3 some indications of the behaviour of the flux with respect to the cross sections. We present at chapter 4 some couplings and give some properties. Chapter 5 is devoted to a presentation of some numerical applications. (author). 9 refs., 7 figs.

  10. Biophysical Modeling of Cross-Shore Plankton Transport

    Science.gov (United States)

    Fujimura, A.; Reniers, A.; Paris, C. B.; Shanks, A.; MacMahan, J.; Morgan, S.

    2016-02-01

    Coastal ecosystems are influenced by cross-shore flows. Processes that create coastal plankton distributions are not well understood, even though possible mechanisms of plankton transport in the surf zone have been investigated. Our data from a rip-channeled beach show that concentrations of zooplankton and phytoplankton are higher in the surf zone than offshore. To examine how plankton are transported toward the shore, we used a coupled biophysical model, comprised of Delft3D wave/flow simulations and an individual-based model for tracking plankton. Model results indicate that onshore delivery of zooplankton is enhanced by Stokes drift, wave-driven bottom boundary streaming, alongshore topographic variability, and turbulence-dependent sinking behavior of zooplankton. Phytoplankton sinking may also be accelerated by turbulence, but the mechanism differs from that which affects zooplankton. Turbulence has the potential to increase phytoplankton growth rates. Therefore, the phytoplankton transport model includes turbulence-induced sinking velocity and growth rate, although the latter appears to have little influence on phytoplankton distributions. Modeled phytoplankton concentrations in the surf zone are much lower than expected, although the zooplankton transport model qualitatively reproduced our observations. Thus, there must be other possible factors influencing phytoplankton transport, some of which will be discussed.

  11. Aeolian Sediment Transport Integration in General Stratigraphic Forward Modeling

    Directory of Open Access Journals (Sweden)

    T. Salles

    2011-01-01

    Full Text Available A large number of numerical models have been developed to simulate the physical processes involved in saltation, and, recently to investigate the interaction between soil vegetation cover and aeolian transport. These models are generally constrained to saltation of monodisperse particles while natural saltation occurs over mixed soils. We present a three-dimensional numerical model of steady-state saltation that can simulate aeolian erosion, transport and deposition for unvegetated mixed soils. Our model simulates the motion of saltating particles using a cellular automata algorithm. A simple set of rules is used and takes into account an erosion formula, a transport model, a wind exposition function, and an avalanching process. The model is coupled to the stratigraphic forward model Sedsim that accounts for a larger number of geological processes. The numerical model predicts a wide range of typical dune shapes, which have qualitative correspondence to real systems. The model reproduces the internal structure and composition of the resulting aeolian deposits. It shows the complex formation of dune systems with cross-bedding strata development, bounding surfaces overlaid by fine sediment and inverse grading deposits. We aim to use it to simulate the complex interactions between different sediment transport processes and their resulting geological morphologies.

  12. Uncertainty Updating in the Description of Coupled Heat and Moisture Transport in Heterogeneous Materials

    CERN Document Server

    Kucerova, Anna

    2011-01-01

    To assess the durability of structures, heat and moisture transport need to be analyzed. To provide a reliable estimation of heat and moisture distribution in a certain structure, one needs to include all available information about the loading conditions and material parameters. Moreover, the information should be accompanied by a corresponding evaluation of its credibility. Here, the Bayesian inference is applied to combine different sources of information, so as to provide a more accurate estimation of heat and moisture fields [1]. The procedure is demonstrated on the probabilistic description of heterogeneous material where the uncertainties consist of a particular value of individual material characteristic and spatial fluctuations. As for the heat and moisture transfer, it is modelled in coupled setting [2].

  13. Polar auxin transport: models and mechanisms

    NARCIS (Netherlands)

    Berkel, van K.; Boer, de R.J.; Scheres, B.; Tusscher, ten K.

    2013-01-01

    Spatial patterns of the hormone auxin are important drivers of plant development. The observed feedback between the active, directed transport that generates auxin patterns and the auxin distribution that influences transport orientation has rendered this a popular subject for modelling studies. Her

  14. Modelling heat transport through completely positive maps

    CERN Document Server

    Wichterich, H; Gemmer, J; Henrich, M J; Michel, M; Breuer, Heinz-Peter; Gemmer, Jochen; Henrich, Markus J.; Michel, Mathias; Wichterich, Hannu

    2007-01-01

    We investigate heat transport in a spin-1/2 Heisenberg chain, coupled locally to independent thermal baths of different temperature. The analysis is carried out within the framework of the theory of open systems by means of appropriate quantum master equations. The standard microscopic derivation of the weak-coupling Lindblad equation in the secular approximation is considered, and shown to be inadequate for the description of stationary nonequilibrium properties like a non-vanishing energy current. Furthermore, we derive an alternative master equation that is capable to describe a stationary energy current and, at the same time, leads to a completely positive dynamical map. This paves the way for efficient numerical investigations of heat transport in larger systems based on Monte Carlo wave function techniques.

  15. Coupled Transport of PAH and Surfactants in Natural Aquifer Material

    Science.gov (United States)

    Danzer, J.; Grathwohl, P.

    1998-03-01

    Surfactants in aqueous solution adsorb onto mineral surfaces and form micelles above the critical micelle concentration (CMC) due to their physico-chemical properties. Hydrophobic organic compounds such as polycyclic aromatic hydrocarbons (PAHs) have a high affinity for the adsorbed surfactant layers (monomers, hemimicelles and admicelles) and to the micelles in the mobile aqueous phase. The transport of PAHs is controlled by the concentration of the surfactant and the partition coefficients, of the PAHs between water and admicelles (adsolubilization: K adm) and water and micelles (solubilization: K mic), respectively. These partition coefficients were measured in laboratory batch and column experiments using phenanthrene as a chemical probe for the PAHs, a non-ionic surfactant (Terrasurf G50), natural aquifer sand (River Neckar Alluvium: RNA) and its petrographic subcomponents. The sorption of the surfactant can be described by a linear isotherm for concentrations below the CMC and a sorption maximum above the CMC, which both depend on the grain size and the surfactant accessible internal surface area of the particles. K adm was found to be higher than K mic. Both depend on the surfactant's properties, such as alkyl chain length, polar headgroup or ethoxylation. In column experiments an increasing retardation of phenanthrene was observed up to the CMC followed by a facilitated transport at surfactant concentration several times the CMC.

  16. Coupling a Terrestrial Biogeochemical Model to the Common Land Model

    Institute of Scientific and Technical Information of China (English)

    SHI Xiaoying; MAd Jiafu; WANG Yingping; DAI Yongjiu; TANG Xuli

    2011-01-01

    A terrestrial biogeochemical model (CASACNP) was coupled to a land surtace model (the Common Land Model,CoLM) to simulate the dynamics of carbon substrate in soil and its limitation on soil respiration.The combined model,CoLM_CASACNP,was able to predict long-term carbon sources and sinks that CoLM alone could not.The coupled model was tested using measurenents of belowground respiration and surface fluxes from two forest ecosystems.The combined model simulated reasonably well the diurnal and seasonal variations of net ecosystem carbon exchange,as well as seasonal variation in the soil respiration rate of both the forest sites chosen for this study.However,the agreement between model simulations and actual measurements was poorer under dry conditions.The model should be tested against more measurements before being applied globally to investigate the feedbacks between the carbon cycle and climate change.

  17. Concept Layout Model of Transportation Terminals

    Directory of Open Access Journals (Sweden)

    Li-ya Yao

    2012-01-01

    Full Text Available Transportation terminal is the key node in transport systems. Efficient terminals can improve operation of passenger transportation networks, adjust the layout of public transportation networks, provide a passenger guidance system, and regulate the development of commercial forms, as well as optimize the assembly and distribution of modern logistic modes, among others. This study aims to clarify the relationship between the function and the structure of transportation terminals and establish the function layout design. The mapping mechanism of demand, function, and structure was analyzed, and a quantitative relationship between function and structure was obtained from a design perspective. Passenger demand and terminal structure were decomposed into several demand units and structural elements following the principle of reverse engineering. The relationship maps between these two kinds of elements were then analyzed. Function-oriented concept layout model of transportation terminals was established using the previous method. Thus, a technique in planning and design of transportation structures was proposed. Meaningful results were obtained from the optimization of transportation terminal facilities, which guide the design of the functional layout of transportation terminals and improve the development of urban passenger transportation systems.

  18. Modeling and characterization of multiple coupled lines

    Science.gov (United States)

    Tripathi, Alok

    1999-10-01

    A configuration-oriented circuit model for multiple coupled lines in an inhomogeneous medium is developed and presented in this thesis. This circuit model consists of a network of uncoupled transmission lines and is readily modeled with simulation tools like LIBRA© and SPICE ©. It provides an equivalent circuit representation which is simple and topologically meaningful as compared to the model based on modal decomposition. The configuration-oriented model is derived by decomposing the immittance matrices associated with an n coupled line 2n-port system. Time- and frequency- domain simulations of typical coupled line multiports are included to exemplify the utility of the model. The model is useful for the simulation and design of general single and multilayer coupled line components, such as filters and couplers, and for the investigation of signal integrity issues including crosstalk in interconnects associated with high speed digital and mixed signal electronic modules and packages. It is shown that multiconductor lossless structures in an inhomogeneous medium can be characterized by multiport time-domain reflection (MR) measurements. A synthesis technique of an equivalent lossless (non-dispersive) uniform multiconductor n coupled lines (UMCL) 2n-port system from the measured discrete time-domain reflection response is presented. This procedure is based on the decomposition of the characteristic immittance matrices of the UMCL in terms of partial mode immittance matrices. The decomposition scheme leads to the discrete transition matrix function of a UMCL 2n-port system. This in turn establishes a relationship between the normal-mode parameters of the UMCL and the measured impulse reflection and transmission response. Equivalence between the synthesis procedure presented in this thesis and the solution of a special form of an algebraic Riccati matrix equation whose solution can lead to the normal-mode parameters and a real termination network is illustrated. In

  19. Quantum Ising model coupled with conducting electrons

    Energy Technology Data Exchange (ETDEWEB)

    Yamashita, Yasufumi; Yonemitsu, Kenji [Institute for Molecular Science, 38 Nishigo-Naka, Myodaiji, Okazaki 444-8585 (Japan); Graduate University for Advanced studies, 38 Nishigo-Naka, Myodaiji, Okazaki 444-8585 (Japan)

    2005-01-01

    The effect of photo-doping on the quantum paraelectric SrTiO{sub 3} is studied by using the one-dimensional quantum Ising model, where the Ising spin describes the effective lattice polarization of an optical phonon. Two types of electron-phonon couplings are introduced through the modulation of transfer integral via lattice deformations. After the exact diagonalization and the perturbation studies, we find that photo-induced low-density carriers can drastically alter quantum fluctuations when the system locates near the quantum critical point between the quantum para- and ferro-electric phases.

  20. Quantum Ising model coupled with conducting electrons

    Science.gov (United States)

    Yamashita, Yasufumi; Yonemitsu, Kenji

    2005-01-01

    The effect of photo-doping on the quantum paraelectric SrTiO3 is studied by using the one-dimensional quantum Ising model, where the Ising spin describes the effective lattice polarization of an optical phonon. Two types of electron-phonon couplings are introduced through the modulation of transfer integral via lattice deformations. After the exact diagonalization and the perturbation studies, we find that photo-induced low-density carriers can drastically alter quantum fluctuations when the system locates near the quantum critical point between the quantum para- and ferro-electric phases.

  1. Dimer and cluster approach for the evaluation of electronic couplings governing charge transport: Application to two pentacene polymorphs

    Science.gov (United States)

    Canola, Sofia; Pecoraro, Claudia; Negri, Fabrizia

    2016-10-01

    Hole transport properties are modeled for two polymorphs of pentacene: the single crystal polymorph and the thin film polymorph relevant for organic thin-film transistor applications. Electronic couplings are evaluated in the standard dimer approach but also considering a cluster approach in which the central molecule is surrounded by a large number of molecules quantum-chemically described. The effective electronic couplings suitable for the parametrization of a tight-binding model are derived either from the orthogonalization scheme limited to HOMO orbitals and from the orthogonalization of the full basis of molecular orbitals. The angular dependent mobilities estimated for the two polymorphs using the predicted pattern of couplings display different anisotropy characteristics as suggested from experimental investigations.

  2. Boltzmann Transport in Hybrid PIC HET Modeling

    Science.gov (United States)

    2015-07-01

    Paper 3. DATES COVERED (From - To) July 2015-July 2015 4. TITLE AND SUBTITLE Boltzmann transport in hybrid PIC HET modeling 5a. CONTRACT NUMBER In...produced a variety of self-consistent electron swarm codes, such as the Magboltz code, focused on directly solving the steady Boltzmann trans-port...Std. 239.18 Boltzmann transport in hybrid PIC HET modeling IEPC-2015- /ISTS-2015-b- Presented at Joint Conference of 30th International

  3. Review. The mammalian proton-coupled peptide cotransporter PepT1: sitting on the transporter-channel fence?

    Science.gov (United States)

    Meredith, David

    2009-01-27

    The proton-coupled di- and tripeptide transporter PepT1 (SLC15a1) is the major route by which dietary nitrogen is taken up from the small intestine, as well as being the route of entry for important therapeutic (pro)drugs such as the beta-lactam antibiotics, angiotensin-converting enzyme inhibitors and antiviral and anti-cancer agents. PepT1 is a member of the major facilitator superfamily of 12 transmembrane domain transporter proteins. Expression studies in Xenopus laevis on rabbit PepT1 that had undergone site-directed mutagenesis of a conserved arginine residue (arginine282 in transmembrane domain 7) to a glutamate revealed that this residue played a role in the coupling of proton and peptide transport and prevented the movement of non-coupled ions during the transporter cycle. Mutations of arginine282 to other non-positive residues did not uncouple proton-peptide cotransport, but did allow additional ion movements when substrate was added. By contrast, mutations to positive residues appeared to function the same as wild-type. These findings are discussed in relation to the functional role that arginine282 may play in the way PepT1 operates, together with structural information from the homology model of PepT1 based on the Escherichia coli lactose permease crystal structure.

  4. Hydrologic modeling of pathogen fate and transport.

    Science.gov (United States)

    Dorner, Sarah M; Anderson, William B; Slawson, Robin M; Kouwen, Nicholas; Huck, Peter M

    2006-08-01

    A watershed-scale fate and transport model has been developed for Escherichia coli and several waterborne pathogens: Cryptosporidiumspp., Giardiaspp., Campylobacter spp, and E. coli O157:H7. The objectives were to determine the primary sources of pathogenic contamination in a watershed used for drinking water supply and to gain a greater understanding of the factors that most influence their survival and transport. To predict the levels of indicator bacteria and pathogens in surface water, an existing hydrologic model, WATFLOOD, was augmented for pathogen transport and tested on a watershed in Southwestern Ontario, Canada. The pathogen model considered transport as a result of overland flow, subsurface flow to tile drainage systems, and in-stream routing. The model predicted that most microorganisms entering the stream from land-based sources enter the stream from tile drainage systems rather than overland transport. Although the model predicted overland transport to be rare, when it occurred, it corresponded to the highest observed and modeled microbial concentrations. Furthermore, rapid increases in measured E. coli concentrations during storm events suggested that the resuspension of microorganisms from stream sediments may be of equal or greater importance than land-based sources of pathogens.

  5. Computational modelling flow and transport

    NARCIS (Netherlands)

    Stelling, G.S.; Booij, N.

    1999-01-01

    Lecture notes CT wa4340. Derivation of equations using balance principles; numerical treatment of ordinary differential equations; time dependent partial differential equations; the strucure of a computer model:DUFLO; usage of numerical models.

  6. A new coupled model for alloy solidification

    Institute of Scientific and Technical Information of China (English)

    LI Daming; LI Ruo; ZHANG Pingwen

    2004-01-01

    A new coupled model in the binary alloy solidification has been developed. The model is based on the cellular automaton (CA)technique to calculate the evolution of the interface governed by temperature, solute diffusion and Gibbs-Thomson effect. The diffusion equation of temperature with the release of latent heat on the solid/liquid (S/L) interface is valid in the entire domain.The temperature diffusion without the release of latent heat and solute diffusion are solved in the entire domain. In the interface cells, the energy and solute conservation, thermodynamic and chemical potential equilibrium are adopted to calculate the temperature, solid concentration, liquid concentration and the increment of solid fraction. Compared with other models where the release of latent heat is solved in implicit or explicit form according to the solid/liquid (S/L) interface velocity, the energy diffusion and the release of latent heat in this model are solved at differentscales, I.e. The macro-scale and micro-scale. The variation ofsolid fraction in this model is solved using several algebraicrelations coming from the chemical potential equilibrium andthermodynamic equilibrium which can be cheaply solved insteadof the calculation of S/L interface velocity. With the assumptionof the solute conservation and energy conservation, the solidfraction can be directly obtained according to the thermodynamicdata. This model is natural to be applied to multiple (>2)spatial dimension case and multiple (>2) component alloy. Themorphologies of equiaxed dendrite are obtained in numericalexperiments.

  7. Computer modeling of electron and proton transport in chloroplasts.

    Science.gov (United States)

    Tikhonov, Alexander N; Vershubskii, Alexey V

    2014-07-01

    Photosynthesis is one of the most important biological processes in biosphere, which provides production of organic substances from atmospheric CO2 and water at expense of solar energy. In this review, we contemplate computer models of oxygenic photosynthesis in the context of feedback regulation of photosynthetic electron transport in chloroplasts, the energy-transducing organelles of the plant cell. We start with a brief overview of electron and proton transport processes in chloroplasts coupled to ATP synthesis and consider basic regulatory mechanisms of oxygenic photosynthesis. General approaches to computer simulation of photosynthetic processes are considered, including the random walk models of plastoquinone diffusion in thylakoid membranes and deterministic approach to modeling electron transport in chloroplasts based on the mass action law. Then we focus on a kinetic model of oxygenic photosynthesis that includes key stages of the linear electron transport, alternative pathways of electron transfer around photosystem I (PSI), transmembrane proton transport and ATP synthesis in chloroplasts. This model includes different regulatory processes: pH-dependent control of the intersystem electron transport, down-regulation of photosystem II (PSII) activity (non-photochemical quenching), the light-induced activation of the Bassham-Benson-Calvin (BBC) cycle. The model correctly describes pH-dependent feedback control of electron transport in chloroplasts and adequately reproduces a variety of experimental data on induction events observed under different experimental conditions in intact chloroplasts (variations of CO2 and O2 concentrations in atmosphere), including a complex kinetics of P700 (primary electron donor in PSI) photooxidation, CO2 consumption in the BBC cycle, and photorespiration. Finally, we describe diffusion-controlled photosynthetic processes in chloroplasts within the framework of the model that takes into account complex architecture of

  8. Stability analysis of a system coupled to a transport equation using integral inequalities

    OpenAIRE

    Baudouin, Lucie; Seuret, Alexandre; Safi, Mohammed

    2016-01-01

    International audience; We address the stability of a system of ordinary differential equations coupled with a transport partial differential equation, using a Lyapunov functional approach. This system can also be interpreted as a finite dimensional system subject to a state delay. Inspired from recent developments on time-delay systems, a novel method to assess stability of such a class of coupled systems is developed here. We will specifically take advantage of a polynomial approximation of...

  9. Multiscale Simulations for Coupled Flow and Transport Using the Generalized Multiscale Finite Element Method

    Directory of Open Access Journals (Sweden)

    Eric T. Chung

    2015-12-01

    Full Text Available In this paper, we develop a mass conservative multiscale method for coupled flow and transport in heterogeneous porous media. We consider a coupled system consisting of a convection-dominated transport equation and a flow equation. We construct a coarse grid solver based on the Generalized Multiscale Finite Element Method (GMsFEM for a coupled system. In particular, multiscale basis functions are constructed based on some snapshot spaces for the pressure and the concentration equations and some local spectral decompositions in the snapshot spaces. The resulting approach uses a few multiscale basis functions in each coarse block (for both the pressure and the concentration to solve the coupled system. We use the mixed framework, which allows mass conservation. Our main contributions are: (1 the development of a mass conservative GMsFEM for the coupled flow and transport; (2 the development of a robust multiscale method for convection-dominated transport problems by choosing appropriate test and trial spaces within Petrov-Galerkin mixed formulation. We present numerical results and consider several heterogeneous permeability fields. Our numerical results show that with only a few basis functions per coarse block, we can achieve a good approximation.

  10. Multiscale Simulations for Coupled Flow and Transport Using the Generalized Multiscale Finite Element Method

    KAUST Repository

    Chung, Eric

    2015-12-11

    In this paper, we develop a mass conservative multiscale method for coupled flow and transport in heterogeneous porous media. We consider a coupled system consisting of a convection-dominated transport equation and a flow equation. We construct a coarse grid solver based on the Generalized Multiscale Finite Element Method (GMsFEM) for a coupled system. In particular, multiscale basis functions are constructed based on some snapshot spaces for the pressure and the concentration equations and some local spectral decompositions in the snapshot spaces. The resulting approach uses a few multiscale basis functions in each coarse block (for both the pressure and the concentration) to solve the coupled system. We use the mixed framework, which allows mass conservation. Our main contributions are: (1) the development of a mass conservative GMsFEM for the coupled flow and transport; (2) the development of a robust multiscale method for convection-dominated transport problems by choosing appropriate test and trial spaces within Petrov-Galerkin mixed formulation. We present numerical results and consider several heterogeneous permeability fields. Our numerical results show that with only a few basis functions per coarse block, we can achieve a good approximation.

  11. Simple supersymmetric strongly coupled preon model

    Science.gov (United States)

    Fajfer, S.; Tadić, D.

    1988-08-01

    This supersymmetric-SU(5) composite model is a natural generalization of the usual strong-coupling models. Preon superfields are in representations 5* and 10. The product representations 5*×10, 5×10, 5×5, and 5*×5 contain only those strongly hypercolor bound states which are needed in the standard electroweak theory. There are no superfluous quarklike states. The neutrino is massless. Only one strongly hypercolor bound singlet (10×10*) can exist as a free particle. At higher energies one should expect to see a plethora of new particles. Grand unification happens at the scale M~1014 GeV. Cabibbo mixing can be incorporated by using a transposed Kobayashi-Maskawa mixing matrix.

  12. The Standard Model Coupled to Quantum Gravitodynamics

    CERN Document Server

    Aldabe, Fermin

    2016-01-01

    We show that the renormalizable SO(4) X U (1) X SU (2) X SU (3) Yang Mills coupled to matter and the Higgs field fits all the experimentally observed differential cross sections known in nature. This extended Standard Model reproduces the experimental gravitational differential cross sections without resorting to the graviton field and instead by exchanging SO(4) gauge fields. By construction, each SO(4) generator in quantum gravitodynamics does not commute with the Dirac gamma matrices. This produces additional interactions absent to non-Abelian gauge fields in the Standard Model. The contributions from these new terms yield differential cross sections consistent with the Newtonian and post Newtonian interactions derived from General Relativity. Dimensional analysis of the Lagrangian shows that all its terms have total dimensionality four or less and therefore that all physical quantities in the theory renormalize by finite amounts. These properties make QGD the only renormalizable 4-dimensional theory descr...

  13. The standard model coupled to quantum gravitodynamics

    Science.gov (United States)

    Aldabe, Fermin

    2017-01-01

    We show that the renormalizable SO(4)× U(1)× SU(2)× SU(3) Yang-Mills coupled to matter and the Higgs field fits all the experimentally observed differential cross sections known in nature. This extended Standard Model reproduces the experimental gravitational differential cross sections without resorting to the graviton field and instead by exchanging SO(4) gauge fields. By construction, each SO(4) generator in quantum gravitodynamics does not commute with the Dirac gamma matrices. This produces additional interactions absent to non-Abelian gauge fields in the Standard Model. The contributions from these new terms yield differential cross sections consistent with the Newtonian and post-Newtonian interactions derived from General Relativity. Dimensional analysis of the Lagrangian shows that all its terms have total dimensionality four or less and therefore that all physical quantities in the theory renormalize by finite amounts. These properties make QGD the only renormalizable four-dimensional theory describing gravitational interactions.

  14. The standard model coupled to quantum gravitodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Aldabe, Fermin

    2017-01-15

    We show that the renormalizable SO(4) x U(1) x SU(2) x SU(3) Yang-Mills coupled to matter and the Higgs field fits all the experimentally observed differential cross sections known in nature. This extended Standard Model reproduces the experimental gravitational differential cross sections without resorting to the graviton field and instead by exchanging SO(4) gauge fields. By construction, each SO(4) generator in quantum gravitodynamics does not commute with the Dirac gamma matrices. This produces additional interactions absent to non-Abelian gauge fields in the Standard Model. The contributions from these new terms yield differential cross sections consistent with the Newtonian and post-Newtonian interactions derived from General Relativity. Dimensional analysis of the Lagrangian shows that all its terms have total dimensionality four or less and therefore that all physical quantities in the theory renormalize by finite amounts. These properties make QGD the only renormalizable four-dimensional theory describing gravitational interactions. (orig.)

  15. A development of multi-Species mass transport model considering thermodynamic phase equilibrium

    DEFF Research Database (Denmark)

    Hosokawa, Yoshifumi; Yamada, Kazuo; Johannesson, Björn

    2008-01-01

    In this paper, a multi-species mass transport model, which can predict time dependent variation of pore solution and solid-phase composition due to the mass transport into the hardened cement paste, has been developed. Since most of the multi-species models established previously, based...... by the penetration of mineral salts during marine seawater exposure conditions. Those phenomena in concrete can be predicted using the coupled multi-species mass transport model and the thermodynamic equilibrium model described in this paper....... on the Poisson-Nernst-Planck theory, did not involve the modeling of chemical process, it has been coupled to thermodynamic equilibrium model in this study. By the coupling of thermodynamic equilibrium model, the multi-species model could simulate many different behaviours in hardened cement paste such as: (i...

  16. Molecular model of the neural dopamine transporter

    Science.gov (United States)

    Ravna, Aina Westrheim; Sylte, Ingebrigt; Dahl, Svein G.

    2003-05-01

    The dopamine transporter (DAT) regulates the action of dopamine by reuptake of the neurotransmitter into presynaptic neurons, and is the main molecular target of amphetamines and cocaine. DAT and the Na+/H+ antiporter (NhaA) are secondary transporter proteins that carry small molecules across a cell membrane against a concentration gradient, using ion gradients as energy source. A 3-dimensional projection map of the E. coli NhaA has confirmed a topology of 12 membrane spanning domains, and was previously used to construct a 3-dimensional NhaA model with 12 trans-membrane α-helices (TMHs). The NhaA model, and site directed mutagenesis data on DAT, were used to construct a detailed 3-dimensional DAT model using interactive molecular graphics and empiric force field calculations. The model proposes a dopamine transport mechanism involving TMHs 1, 3, 4, 5, 7 and 11. Asp79, Tyr252 and Tyr274 were the primary cocaine binding residues. Binding of cocaine or its analogue, (-)-2β-carbomethoxy-3β-(4-fluorophenyl)tropane (CFT), seemed to lock the transporter in an inactive state, and thus inhibit dopamine transport. The present model may be used to design further experimental studies of the molecular structure and mechanisms of DAT and other secondary transporter proteins.

  17. Uncertainty calculation in transport models and forecasts

    DEFF Research Database (Denmark)

    Manzo, Stefano; Prato, Carlo Giacomo

    in a four-stage transport model related to different variable distributions (to be used in a Monte Carlo simulation procedure), assignment procedures and levels of congestion, at both the link and the network level. The analysis used as case study the Næstved model, referring to the Danish town of Næstved2...... the uncertainty propagation pattern over time specific for key model outputs becomes strategically important. 1 Manzo, S., Nielsen, O. A. & Prato, C. G. (2014). The Effects of uncertainty in speed-flow curve parameters on a large-scale model. Transportation Research Record, 1, 30-37. 2 Manzo, S., Nielsen, O. A...

  18. The role of Rashba spin-orbit coupling in valley-dependent transport of Dirac fermions

    Science.gov (United States)

    Hasanirok, Kobra; Mohammadpour, Hakimeh

    2017-01-01

    At this work, spin- and valley-dependent electron transport through graphene and silicene layers are studied in the presence of Rashba spin- orbit coupling. We find that the transport properties of the related ferromagnetic/normal/ferromagnetic structure depend on the relevant parameters. A fully valley- and spin- polarized current is obtained. As another result, Rashba spin-orbit interaction plays important role in controlling the transmission characteristics.

  19. Anomalous transport of subdiffusing cargos by single kinesin motors: the role of mechanochemical coupling and anharmonicity of tether

    CERN Document Server

    Goychuk, Igor

    2014-01-01

    Here we generalize our previous model of molecular motors trafficking subdiffusing cargos in viscoelastic cytosol by (i) including mechanochemical coupling between cyclic conformational fluctuations of the motor protein driven by the reaction of ATP hydrolysis and its translational motion within the simplest two-state model of hand-over-hand motion of kinesin, and also (ii) by taking into account the anharmonicity of the tether between the motor and cargo (its maximally possible extension length). It is shown that the major earlier results such as occurrence of normal versus anomalous transport depending on the amplitude of binding potential, cargo size and the motor turnover frequency not only survive in this more realistic model, but the results also look very similar for the correspondingly adjusted parameters. However, this more realistic model displays a substantially larger thermodynamic efficiency due to a bidirectional mechanochemical coupling. For realistic parameters, the maximal thermodynamic effic...

  20. Spin-orbit coupling effects, interactions and superconducting transport in nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Schulz, Andreas

    2010-05-15

    the RKKY Hamiltonian on both RSOC and interaction strength and an anisotropic range function. In the second part of this thesis we focus on the study of superconducting transport in a quantum dot Josephson junctions coupled to a two-level system, which serves as a simple model for a conformational degree of freedom of a molecular dot or a break junction. We first address the limit of weak coupling to the leads and calculate the critical current through the junction perturbatively to lowest nonvanishing order in the tunneling couplings, allowing for arbitrary charging energy U and TLS parameters. We show that the critical current can change by orders of magnitude due to the two-level system. In particular, the {pi}-junction behavior, generally present for strong interactions, can be completely suppressed. We also study the influence of the Josephson current on the state of the TLS in the regime of weak charging energy. Within a wide range of parameters, our calculations predict that the TLS is quite sensitive to a variation of the phase difference {phi} across the junction. Conformational changes, up to a a complete reversal, can be induced by varying {phi}. This allows for the dissipationless control (including switching) of the TLS. (orig.)

  1. Cooperative Effects of Noise and Coupling on Stochastic Dynamics of a Membrane-Bulk Coupling Model

    Institute of Scientific and Technical Information of China (English)

    TANG Jun; JIA Ya; YI Ming

    2009-01-01

    Based on a membrane-bulk coupling cell model proposed by Gomez-Marin et al. [ Phys. Rev. Lett. 98 (2007) 168303], the cooperative effects of noise and coupling on the stochastic dynamical behavior are investigated, For parameters in a certain region, the oscillation can be induced by the cooperative effect of noise and coupling. Whether considering the coupling or not, corresponding coherence resonance phenomena are observed. Furthermore, the effects of two coupling parameters, cell size L and coupling intensity k, on the noise-induced oscillation of membranes are studied. Contrary effects of noise are found in and out of the deterministic oscillatory regions.

  2. Single photon transport in two waveguides chirally coupled by a quantum emitter.

    Science.gov (United States)

    Cheng, Mu-Tian; Ma, Xiao-San; Zhang, Jia-Yan; Wang, Bing

    2016-08-22

    We investigate single photon transport in two waveguides coupled to a two-level quantum emitter (QE). With the deduced analytical scattering amplitudes, we show that under condition of the chiral coupling between the QE and the photon in the two waveguides, the QE can play the role of ideal quantum router to redirect a single photon incident from one waveguide into the other waveguide with a probability of 100% in the ideal condition. The influences of cross coupling between two waveguides and dissipations on the routing are also shown.

  3. Charge and spin transport in nanoscopic structures with spin-orbit coupling

    Energy Technology Data Exchange (ETDEWEB)

    Reynoso, A. [Instituto Balseiro and Centro Atomico Bariloche, Comision Nacional de Energia Atomica, 8400 San Carlos de Bariloche (Argentina); Gonzalo Usaj [Instituto Balseiro and Centro Atomico Bariloche, Comision Nacional de Energia Atomica, 8400 San Carlos de Bariloche (Argentina); Balseiro, C.A. [Instituto Balseiro and Centro Atomico Bariloche, Comision Nacional de Energia Atomica, 8400 San Carlos de Bariloche (Argentina)]. E-mail: balseiro@cab.cnea.gov.ar

    2006-10-01

    During the last years there has been much interest, and theoretical discussion, about the possibility to use spin-orbit coupling to control the carriers spins in two-dimensional semiconducting heterostructures. Spin polarization at the sample edges may occur as the response of systems with strong SO-coupling to an external transport current, an effect known as spin Hall effect. Here, we show that in a 2DEG with Rashba SO-coupling, spin polarization near the sample edge can develop kinematically for low electron densities. We also discuss the effect in quantum wires where lateral confinement plays an important role.

  4. Analysis of coupled transport phenomena in concrete at elevated temperatures

    CERN Document Server

    Beneš, Michal; Zeman, Jan

    2010-01-01

    In this paper, we study a non-linear numerical scheme arising from the implicit time discretization of the Ba\\v{z}ant-Thonguthai model for hygro-thermal behavior of concrete at high temperatures. Existence and uniqueness of the time-discrete solution in two dimensions is established using the theory of pseudomonotone operators in Banach spaces. Next, the spatial discretization is accomplished by the conforming finite element method. An illustrative numerical example shows that the numerical model reproduces well the rapid increase of pore pressure in wet concrete due to extreme heating. Such phenomenon is of particular interest for the safety assessment of concrete structures prone to thermally-induced spalling.

  5. Real time model for public transportation management

    Directory of Open Access Journals (Sweden)

    Ireneusz Celiński

    2014-03-01

    Full Text Available Background: The article outlines managing a public transportation fleet in the dynamic aspect. There are currently many technical possibilities of identifying demand in the transportation network. It is also possible to indicate legitimate basis of estimating and steering demand. The article describes a general public transportation fleet management concept based on balancing demand and supply. Material and methods: The presented method utilizes a matrix description of demand for transportation based on telemetric and telecommunication data. Emphasis was placed mainly on a general concept and not the manner in which data was collected by other researchers.  Results: The above model gave results in the form of a system for managing a fleet in real-time. The objective of the system is also to optimally utilize means of transportation at the disposal of service providers. Conclusions: The presented concept enables a new perspective on managing public transportation fleets. In case of implementation, the project would facilitate, among others, designing dynamic timetables, updated based on observed demand, and even designing dynamic points of access to public transportation lines. Further research should encompass so-called rerouting based on dynamic measurements of the characteristics of the transportation system.

  6. Thawing model and symmetry breaking in a coupled quintessence model

    CERN Document Server

    Honardoost, M; Sepangi, H R

    2015-01-01

    We consider the thawing model in the framework of coupled quintessence scenario. The effective potential has $Z_2$ symmetry which is broken spontaneously when dark matter density becomes less than a critical value leading the quintessence equation of state parameter to deviate from -1. Conditions required for this procedure are obtained and analytical solution for the equation of state parameter is derived.

  7. An Economic Model of Coupled Exponential Maps

    CERN Document Server

    López-Ruiz, R; Cosenza, M G; Sánchez, J R

    2007-01-01

    In this work, an ensemble of economic interacting agents is considered. The agents are arranged in a linear array where only local couplings are allowed. The deterministic dynamics of each agent is given by a map. This map is expressed by two factors. The first one is a linear term that models the expansion of the agent's economy and that is controlled by the {\\it growth capacity parameter}. The second one is an inhibition exponential term that is regulated by the {\\it local environmental pressure}. Depending on the parameter setting, the system can display Pareto or Boltzmann-Gibbs behavior in the asymptotic dynamical regime. The regions of parameter space where the system exhibits one of these two statistical behaviors are delimited. Other properties of the system, such as the mean wealth, the standard deviation and the Gini coefficient, are also calculated.

  8. Teaching Couples Counseling: An Integrative Model

    Science.gov (United States)

    Long, Lynn L.; Burnett, Judith A.

    2005-01-01

    Traditionally, training in couples counseling has not received equal status as other counseling modalities. Recently, there is renewed interest in specific training for couples counseling as more emphasis is placed on the stability of couple relationships as an important factor for helping families and children function in a society of frequent…

  9. Radionuclide Transport Models Under Ambient Conditions

    Energy Technology Data Exchange (ETDEWEB)

    G. Moridis; Q. Hu

    2001-12-20

    The purpose of Revision 00 of this Analysis/Model Report (AMR) is to evaluate (by means of 2-D semianalytical and 3-D numerical models) the transport of radioactive solutes and colloids in the unsaturated zone (UZ) under ambient conditions from the potential repository horizon to the water table at Yucca Mountain (YM), Nevada.

  10. Radionuclide Transport Models Under Ambient Conditions

    Energy Technology Data Exchange (ETDEWEB)

    G. Moridis; Q. Hu

    2000-03-12

    The purpose of this Analysis/Model Report (AMR) is to evaluate (by means of 2-D semianalytical and 3-D numerical models) the transport of radioactive solutes and colloids in the unsaturated zone (UZ) under ambient conditions from the potential repository horizon to the water table at Yucca Mountain (YM), Nevada. This is in accordance with the ''AMR Development Plan U0060, Radionuclide Transport Models Under Ambient Conditions'' (CRWMS M and O 1999a). This AMR supports the UZ Flow and Transport Process Model Report (PMR). This AMR documents the UZ Radionuclide Transport Model (RTM). This model considers: the transport of radionuclides through fractured tuffs; the effects of changes in the intensity and configuration of fracturing from hydrogeologic unit to unit; colloid transport; physical and retardation processes and the effects of perched water. In this AMR they document the capabilities of the UZ RTM, which can describe flow (saturated and/or unsaturated) and transport, and accounts for (a) advection, (b) molecular diffusion, (c) hydrodynamic dispersion (with full 3-D tensorial representation), (d) kinetic or equilibrium physical and/or chemical sorption (linear, Langmuir, Freundlich or combined), (e) first-order linear chemical reaction, (f) radioactive decay and tracking of daughters, (g) colloid filtration (equilibrium, kinetic or combined), and (h) colloid-assisted solute transport. Simulations of transport of radioactive solutes and colloids (incorporating the processes described above) from the repository horizon to the water table are performed to support model development and support studies for Performance Assessment (PA). The input files for these simulations include transport parameters obtained from other AMRs (i.e., CRWMS M and O 1999d, e, f, g, h; 2000a, b, c, d). When not available, the parameter values used are obtained from the literature. The results of the simulations are used to evaluate the transport of radioactive

  11. Transport properties site descriptive model. Guidelines for evaluation and modelling

    Energy Technology Data Exchange (ETDEWEB)

    Berglund, Sten [WSP Environmental, Stockholm (Sweden); Selroos, Jan-Olof [Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden)

    2004-04-01

    This report describes a strategy for the development of Transport Properties Site Descriptive Models within the SKB Site Investigation programme. Similar reports have been produced for the other disciplines in the site descriptive modelling (Geology, Hydrogeology, Hydrogeochemistry, Rock mechanics, Thermal properties, and Surface ecosystems). These reports are intended to guide the site descriptive modelling, but also to provide the authorities with an overview of modelling work that will be performed. The site descriptive modelling of transport properties is presented in this report and in the associated 'Strategy for the use of laboratory methods in the site investigations programme for the transport properties of the rock', which describes laboratory measurements and data evaluations. Specifically, the objectives of the present report are to: Present a description that gives an overview of the strategy for developing Site Descriptive Models, and which sets the transport modelling into this general context. Provide a structure for developing Transport Properties Site Descriptive Models that facilitates efficient modelling and comparisons between different sites. Provide guidelines on specific modelling issues where methodological consistency is judged to be of special importance, or where there is no general consensus on the modelling approach. The objectives of the site descriptive modelling process and the resulting Transport Properties Site Descriptive Models are to: Provide transport parameters for Safety Assessment. Describe the geoscientific basis for the transport model, including the qualitative and quantitative data that are of importance for the assessment of uncertainties and confidence in the transport description, and for the understanding of the processes at the sites. Provide transport parameters for use within other discipline-specific programmes. Contribute to the integrated evaluation of the investigated sites. The site descriptive

  12. System Convergence in Transport Modelling

    DEFF Research Database (Denmark)

    Rich, Jeppe; Nielsen, Otto Anker; Cantarella, Guilio E.

    2010-01-01

    -of-successive-averages (MSA) have been proposed. Convergence of the MSA under fairly weak regularity conditions was shown in Robbins and Monro (1951). The iteration between demand and assignment ? the external equilibrium ? are in many models either decoupled or follow a very simple iteration pattern. However, as demand...

  13. Coupling Substrate and Ion Binding to Extracellular Gate of a Sodium-Dependent Aspartate Transporter

    Energy Technology Data Exchange (ETDEWEB)

    Boudker,O.; Ryan, R.; Yernool, D.; Shimamoto, K.; Gouaux, E.

    2007-01-01

    Secondary transporters are integral membrane proteins that catalyze the movement of substrate molecules across the lipid bilayer by coupling substrate transport to one or more ion gradients, thereby providing a mechanism for the concentrative uptake of substrates. Here we describe crystallographic and thermodynamic studies of Glt{sub Ph}, a sodium (Na{sup +})-coupled aspartate transporter, defining sites for aspartate, two sodium ions and D,L-threo-{beta}-benzyloxyaspartate, an inhibitor. We further show that helical hairpin 2 is the extracellular gate that controls access of substrate and ions to the internal binding sites. At least two sodium ions bind in close proximity to the substrate and these sodium-binding sites, together with the sodium-binding sites in another sodium-coupled transporter, LeuT, define an unwound {alpha}-helix as the central element of the ion-binding motif, a motif well suited to the binding of sodium and to participation in conformational changes that accompany ion binding and unbinding during the transport cycle.

  14. Spatiotemporal coupling of cAMP transporter to CFTR chloride channel function in the gut epithelia.

    Science.gov (United States)

    Li, Chunying; Krishnamurthy, Partha C; Penmatsa, Himabindu; Marrs, Kevin L; Wang, Xue Qing; Zaccolo, Manuela; Jalink, Kees; Li, Min; Nelson, Deborah J; Schuetz, John D; Naren, Anjaparavanda P

    2007-11-30

    Cystic fibrosis transmembrane conductance regulator (CFTR) is a cAMP-regulated chloride channel localized at apical cell membranes and exists in macromolecular complexes with a variety of signaling and transporter molecules. Here, we report that the multidrug resistance protein 4 (MRP4), a cAMP transporter, functionally and physically associates with CFTR. Adenosine-stimulated CFTR-mediated chloride currents are potentiated by MRP4 inhibition, and this potentiation is directly coupled to attenuated cAMP efflux through the apical cAMP transporter. CFTR single-channel recordings and FRET-based intracellular cAMP dynamics suggest that a compartmentalized coupling of cAMP transporter and CFTR occurs via the PDZ scaffolding protein, PDZK1, forming a macromolecular complex at apical surfaces of gut epithelia. Disrupting this complex abrogates the functional coupling of cAMP transporter activity to CFTR function. Mrp4 knockout mice are more prone to CFTR-mediated secretory diarrhea. Our findings have important implications for disorders such as inflammatory bowel disease and secretory diarrhea.

  15. Spatiotemporal Coupling of cAMP Transporter to CFTR Chloride Channel Function in the Gut Epithelia

    Science.gov (United States)

    Li, Chunying; Krishnamurthy, Partha C.; Penmatsa, Himabindu; Marrs, Kevin L.; Wang, Xue Qing; Zaccolo, Manuela; Jalink, Kees; Li, Min; Nelson, Deborah J.; Schuetz, John D.; Naren, Anjaparavanda P.

    2007-01-01

    SUMMARY Cystic fibrosis transmembrane conductance regulator (CFTR) is a cAMP-regulated chloride channel localized at apical cell membranes and exists in macromolecular complexes with a variety of signaling and transporter molecules. Here we report that the multidrug resistance protein 4 (MRP4), a cAMP transporter, is functionally and physically associates with CFTR. Adenosine-stimulated CFTR-mediated chloride currents are potentiated by MRP4 inhibition, and this potentiation is directly coupled to attenuated cAMP efflux through the apical cAMP transporter. CFTR single-channel recordings and FRET-based intracellular cAMP dynamics suggest that a compartmentalized coupling of cAMP transporter and CFTR occurs via the PDZ scaffolding protein, PDZK1, forming a macromolecular complex at apical surfaces of gut epithelia. Disrupting this complex abrogates the functional coupling of cAMP transporter activity to CFTR function. MRP4 knockout mice are more prone to CFTR-mediated secretory diarrhea. Our findings have important implications for disorders such as inflammatory bowel disease and secretory diarrhea. PMID:18045536

  16. Transport Properties in a One-Dimensional Chain with Randomly Side-Coupled Impurities

    Institute of Scientific and Technical Information of China (English)

    胡冬生; 张桂平; 熊诗杰

    2002-01-01

    We investigate the transport properties of a one-dimensional (1D) chain with randomly side-coupled impurities.By using the transfer matrix technique, we present numerical results of the transmission coefficient as a function of the electron energy. It is found that an extended state will be shown in such a random 1D system if the impurities are side-coupled to the chain with not only the nearest-neighbour bonds but also the next-nearest-neighbour bonds. We present an analytical expression for the energy of this extended state, which is determined by the strength of the nearest and next-nearest couplings between the impurities and the chain. The obtained results can be used to explain the transport properties of DNA chains and other quasi-lD organic structures.

  17. Mathematical modeling of BTX: biotransformation and transport in the subsurface.

    Science.gov (United States)

    Abriola, L M; Chen, Y M

    1995-06-01

    A two-dimensional compositional model is presented; this model describes the transport and biotransformation of organic contaminants in a variably saturated subsurface environment. Modeled processes included mass exchange between constituent phases (water, air, soil, and organisms), advective and dispersive fluxes in the water phase, diffusive flux in the air phase, and biotransformation and biomass production in the biophase. In this model, solute transfer across air/water and water/solid interfaces is modeled using equilibrium relationships. Rate-limited mass transfer between the water and biophases is described with a linear driving force expression. Microbial degradation and biomass net growth are modeled by Monod-type kinetics. Solute transport and microbial growth equations are solved using an iterative Galerkin finite element method with a variable time-weighting scheme. Coupled biophase mass balance equations for each component are solved with a Newton-Raphson iterative scheme. Model capabilities are illustrated with two-dimensional, cross-sectional simulations of natural bioattenuation. The influence of biotransformation processes on the transport and extent of a toluene plume is examined.

  18. Maximum likelihood Bayesian model averaging and its predictive analysis for groundwater reactive transport models

    Science.gov (United States)

    Curtis, Gary P.; Lu, Dan; Ye, Ming

    2015-01-01

    While Bayesian model averaging (BMA) has been widely used in groundwater modeling, it is infrequently applied to groundwater reactive transport modeling because of multiple sources of uncertainty in the coupled hydrogeochemical processes and because of the long execution time of each model run. To resolve these problems, this study analyzed different levels of uncertainty in a hierarchical way, and used the maximum likelihood version of BMA, i.e., MLBMA, to improve the computational efficiency. This study demonstrates the applicability of MLBMA to groundwater reactive transport modeling in a synthetic case in which twenty-seven reactive transport models were designed to predict the reactive transport of hexavalent uranium (U(VI)) based on observations at a former uranium mill site near Naturita, CO. These reactive transport models contain three uncertain model components, i.e., parameterization of hydraulic conductivity, configuration of model boundary, and surface complexation reactions that simulate U(VI) adsorption. These uncertain model components were aggregated into the alternative models by integrating a hierarchical structure into MLBMA. The modeling results of the individual models and MLBMA were analyzed to investigate their predictive performance. The predictive logscore results show that MLBMA generally outperforms the best model, suggesting that using MLBMA is a sound strategy to achieve more robust model predictions relative to a single model. MLBMA works best when the alternative models are structurally distinct and have diverse model predictions. When correlation in model structure exists, two strategies were used to improve predictive performance by retaining structurally distinct models or assigning smaller prior model probabilities to correlated models. Since the synthetic models were designed using data from the Naturita site, the results of this study are expected to provide guidance for real-world modeling. Limitations of applying MLBMA to the

  19. When “small” terms matter: Coupled interference features in the transport properties of cross-conjugated molecules

    Directory of Open Access Journals (Sweden)

    Gemma C. Solomon

    2011-12-01

    Full Text Available Quantum interference effects offer opportunities to tune the electronic and thermoelectric response of a quantum-scale device over orders of magnitude. Here we focus on single-molecule devices, in which interference features may be strongly affected by both chemical and electronic modifications to the system. Although not always desirable, such a susceptibility offers insight into the importance of “small” terms, such as through-space coupling and many-body charge–charge correlations. Here we investigate the effect of these small terms using different Hamiltonian models with Hückel, gDFTB and many-body theory to calculate the transport through several single-molecule junctions, finding that terms that are generally thought to only slightly perturb the transport instead produce significant qualitative changes in the transport properties. In particular, we show that coupling of multiple interference features in cross-conjugated molecules by through-space coupling will lead to splitting of the features, as can correlation effects. The degeneracy of multiple interference features in cross-conjugated molecules appears to be significantly more sensitive to perturbations than those observed in equivalent cyclic systems and this needs to be considered if such supernodes are required for molecular thermoelectric devices.

  20. Coupled transport phenomena in a clay from a Callovo-Oxfordian formation; Phenomenes de transport couples dans les argiles du Callovo-Oxfordien

    Energy Technology Data Exchange (ETDEWEB)

    Paszkuta, M

    2005-06-15

    Low permeability materials containing clay play an important role in practical life and natural environment. Indeed, the ability of clay soils to act as semi permeable membranes, that inhibit the passage of electrolytes, is of great interest. The major objective of this thesis is to evaluate the transport properties of natural clays and in particular coupled transports when a pressure gradient, an electrical field, a concentration gradient and a temperature gradient interact. The material is a compact argillite extracted in East France from a Callovo-Oxfordian formation which was supplied to us by ANDRA. NaCl was used as the main solute. Two series of experiments were performed to measure permeability, diffusion, conductivity, the electro-osmotic coefficient and the Soret coefficient. (author)

  1. Development of A Stochastic Bedload Transport Model

    Science.gov (United States)

    Tsai, C. W.; Kuai, Z.

    2009-12-01

    Sediment particle transport can be viewed as a Markov chain process. In a non-equilibrium condition, the interchange of sediment particles occurs not only between the bedload layer and the bed surface, but also across the interface between bedload and suspended load. We can quantify the number of saltating particles by modeling the occupancy probabilities vector of particles staying in three states, namely, the bed surface, bedload layer, and suspended sediment layer. Most bedload transport models in the literature are formulated in terms of the mean bed shear stress or flow velocity. The proposed Markovian bedload model and the bedload transport rates are governed by various transition probabilities. These transition probabilities are all functions of the bed shear stress. The stochastic property of the bed shear stress can be incorporated into the above bedload transport model knowing the probability density function of the bed shear stress. This study presents a theoretical method to compute stochastic bedload transport rates considering the stochastic fluctuation of the bed shear stress.

  2. Band transport model for discotic liquid crystals

    Science.gov (United States)

    Lever, L. J.; Kelsall, R. W.; Bushby, R. J.

    2005-07-01

    A theoretical model is presented for charge transport in discotic liquid crystals in which a charge is delocalized over more than one lattice site. As such, charge transport is via a banded conduction process in a narrow bandwidth system and takes place over coherent lengths of a few molecules. The coherent lengths are disrupted by the geometrical disorder of the system and are treated as being terminated by quantum tunnel barriers. The transmission probabilities at these barriers have been calculated as a function of the charge carrier energy. Phononic interactions are also considered and the charge carrier scattering rates are calculated for intermolecular and intramolecular vibrations. The results of the calculations have been used to develop a Monte Carlo simulation of the charge transport model. Simulated data are presented and used to discuss the nature of the tunnel barriers required to reproduce experimental data. We find that the model successfully reproduces experimental time of flight data including temperature dependence.

  3. DAC 22 High Speed Civil Transport Model

    Science.gov (United States)

    1992-01-01

    Between tests, NASA research engineer Dave Hahne inspects a tenth-scale model of a supersonic transport model in the 30- by 60-Foot Tunnel at NASA Langley Research Center, Hampton, Virginia. The model is being used in support of NASA's High-Speed Research (HSR) program. Langley researchers are applying advance aerodynamic design methods to develop a wing leading-edge flap system which significantly improves low-speed fuel efficiency and reduces noise generated during takeoff operation. Langley is NASA's lead center for the agency's HSR program, aimed at developing technology to help U.S. industry compete in the rapidly expanding trans-oceanic transport market. A U.S. high-speed civil transport is expected to fly in about the year 2010. As envisioned, it would fly 300 passengers across the Pacific in about four hours at Mach 2.4 (approximately 1,600 mph/1950 kph) for a modest increase over business class fares.

  4. GEOS-5 Chemistry Transport Model User's Guide

    Science.gov (United States)

    Kouatchou, J.; Molod, A.; Nielsen, J. E.; Auer, B.; Putman, W.; Clune, T.

    2015-01-01

    The Goddard Earth Observing System version 5 (GEOS-5) General Circulation Model (GCM) makes use of the Earth System Modeling Framework (ESMF) to enable model configurations with many functions. One of the options of the GEOS-5 GCM is the GEOS-5 Chemistry Transport Model (GEOS-5 CTM), which is an offline simulation of chemistry and constituent transport driven by a specified meteorology and other model output fields. This document describes the basic components of the GEOS-5 CTM, and is a user's guide on to how to obtain and run simulations on the NCCS Discover platform. In addition, we provide information on how to change the model configuration input files to meet users' needs.

  5. Oscillations and multiple steady states in active membrane transport models.

    Science.gov (United States)

    Vieira, F M; Bisch, P M

    1994-01-01

    The dynamic behavior of some non-linear extensions of the six-state alternating access model for active membrane transport is investigated. We use stoichio-metric network analysis to study the stability of steady states. The bifurcation analysis has been done through standard numerical methods. For the usual six-state model we have proved that there is only one steady state, which is globally asymptotically stable. When we added an autocatalytic step we found self-oscillations. For the competition between a monomer cycle and a dimer cycle, with steps of dimer formation, we have also found self-oscillations. We have also studied models involving the formation of a complex with other molecules. The addition of two steps for formation of a complex of the monomer with another molecule does not alter either the number or the stability of steady states of the basic six-state model. The model which combines the formation of a complex with an autocatalytic step shows both self-oscillations and multiple steady states. The results lead us to conclude that oscillations could be produced by active membrane transport systems if the transport cycle contains a sufficiently large number of steps (six in the present case) and is coupled to at least one autocatalytic reaction,. Oscillations are also predicted when the monomer cycle is coupled to a dimer cycle. In fact, the autocatalytic reaction can be seen as a simplification of the model involving competition between monomer and dimer cycles, which seems to be a more realistic description of biological systems. A self-regulation mechanism of the pumps, related to the multiple stationary states, is expected only for a combined effect of autocatalysis and formation of complexes with other molecules. Within the six-state model this model also leads to oscillation.

  6. Modelling Transition Towards Sustainable Transportation Sector

    DEFF Research Database (Denmark)

    Dominkovic, Dominik Franjo; Bačeković, I.; Mýrdal, Jón Steinar Garðarsson

    2016-01-01

    In a transition towards 100% renewable energy system, transportation sector is rarely dealt withusing the holistic approach and measuring its impact on the whole energy system. Furthermore, assolutions for power and heat sectors are clearer, it is a tendency of the researchers to focus on thelatter...... two energy sectors. In order to deal with the raised issue, authors of this paper developed amethodology for calculation of the transition towards sustainable transport sector, focusing on thesolutions that are already available. Furthermore, as a part of the model, a detailed mapping ofresources...... needed has been carried out for each of the alternatives. It was shown that theelectrification of the transportation sector is a crucial point in transition, while for the transportmodes that cannot be electrified, or shifted to different transportation modes, four alternatives weredefined: synthetic...

  7. The GiBUU transport model

    Directory of Open Access Journals (Sweden)

    Mosel Ulrich

    2013-06-01

    Full Text Available We give an overview over the hadronic transport model GiBUU as a simulation tool for hadronic and electroweak reactions on nuclei over a wide energy range [1]. The model is able to handle hadron-, photon- and lepton-induced reactions as well as nucleus nucleus collisions from sub-GeV energies up to hundreds of GeV. After a general introduction of the model, we discuss its possible application to cosmic ray air showers.

  8. Interband coupling and transport interband scattering in s± superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Kogan, Vladimir [Ames Lab., Ames, IA (United States); Prozorov, Ruslan [Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)

    2016-04-04

    A two-band model with repulsive interband coupling and interband transport (potential) scattering is considered to elucidate their effects on material properties. In agreement with previous work, we find that the bands order parameters Δ1,2 differ and the large is at the band with a smaller normal density of states (DOS), Nn2 < Nn1. However, the bands energy gaps, as determined by the energy dependence of the DOS, are equal due to scattering. For each temperature, the gaps turn zero at a certain critical interband scattering rate, i.e. for strong enough scattering the model material becomes gappless. In the gapless state, the DOS at the band 2 is close to the normal state value, whereas at the band 1 it has a V-shape with non-zero minimum. When the normal bands DOS' are mismatched, Nn1 6= Nn2, the critical temperature Tc is suppressed even in the absence of interband scattering, Tc(Nn1) has a dome-like shape. With increasing interband scattering, the London penetration depth at low temperatures evolves from being exponentially at to the powerlaw and even to near linear behavior in the gapless state, the latter being easily misinterpreted as caused by order parameter nodes.

  9. Transport through a quantum dot coupled to two Majorana bound states

    Science.gov (United States)

    Zeng, Qi-Bo; Chen, Shu; You, L.; Lü, Rong

    2017-08-01

    We investigate electron transport inside a ring system composed of a quantum dot (QD) coupled to two Majorana bound states confined at the ends of a one-dimensional topological superconductor nanowire. By tuning the magnetic flux threading through the ring, the model system we consider can be switched into states with or without zero-energy modes when the nanowire is in its topological phase. We find that the Fano profile in the conductance spectrum due to the interference between bound and continuum states exhibits markedly different features for these two different situations, which consequently can be used to detect the Majorana zero-energy mode. Most interestingly, as a periodic function of magnetic flux, the conductance shows 2 π periodicity when the two Majorana bound states are nonoverlapping (as in an infinitely long nanowire) but displays 4 π periodicity when the overlapping becomes nonzero (as in a finite length nanowire). We map the model system into a QD-Kitaev ring in the Majorana fermion representation and affirm these different characteristics by checking the energy spectrum.

  10. The chemical transport model Oslo CTM3

    Directory of Open Access Journals (Sweden)

    O. A. Søvde

    2012-06-01

    Full Text Available We present here the global chemical transport model Oslo CTM3, an update of the Oslo CTM2. The update comprises a faster transport scheme, an improved wet scavenging scheme for large scale rain, updated photolysis rates and a new lightning parameterization. Oslo CTM3 is better parallelized and allows for stable, large time steps for advection, enabling more complex or high resolution simulations. Thorough comparisons between the Oslo CTM3, Oslo CTM2 and measurements are performed, and in general the Oslo CTM3 is found to reproduce measurements well. Inclusion of tropospheric sulfur chemistry and nitrate aerosols in CTM3 is shown to be important to reproduce tropospheric O3, OH and the CH4 lifetime well. Using the same meteorology to drive the two models, shows that some features related to transport are better resolved by the CTM3, such as polar cap transport, while features like transport close to the vortex edge are resolved better in the Oslo CTM2 due to its required shorter transport time step. The longer transport time steps in CTM3 result in larger errors e.g. near the jets, and when necessary, this can be remedied by using a shorter time step. An additional, more accurate and time consuming, treatment of polar cap transport is presented, however, both perform acceptably. A new treatment of the horizontal distribution of lightning is presented and found to compare well with measurements. Vertical distributions of lighting are updated, and tested against the old vertical distribution. The new profiles are found to produce more NOx in the tropical middle troposphere, and less at the surface and at high altitudes.

  11. Multiphysical modelling of fluid transport through osteo-articular media

    Directory of Open Access Journals (Sweden)

    Thibault Lemaire

    2010-03-01

    Full Text Available In this study, a multiphysical description of fluid transport through osteo-articular porous media is presented. Adapted from the model of Moyne and Murad, which is intended to describe clayey materials behaviour, this multiscale modelling allows for the derivation of the macroscopic response of the tissue from microscopical information. First the model is described. At the pore scale, electrohydrodynamics equations governing the electrolyte movement are coupled with local electrostatics (Gauss-Poisson equation, and ionic transport equations. Using a change of variables and an asymptotic expansion method, the macroscopic description is carried out. Results of this model are used to show the importance of couplings effects on the mechanotransduction of compact bone remodelling.Neste estudo uma descrição multifísica do transporte de fluidos em meios porosos osteo articulares é apresentada. Adaptado a partir do modelo de Moyne e Murad proposto para descrever o comportamento de materiais argilosos a modelagem multiescala permite a derivação da resposta macroscópica do tecido a partir da informação microscópica. Na primeira parte o modelo é apresentado. Na escala do poro as equações da eletro-hidrodinâmica governantes do movimento dos eletrolitos são acopladas com a eletrostática local (equação de Gauss-Poisson e as equações de transporte iônico. Usando uma mudança de variáveis e o método de expansão assintótica a derivação macroscópica é conduzida. Resultados do modelo proposto são usados para salientar a importância dos efeitos de acoplamento sobre a transdução mecânica da remodelagem de ossos compactados.

  12. Quantum transport through a Coulomb blockaded quantum emitter coupled to a plasmonic dimer.

    Science.gov (United States)

    Goker, A; Aksu, H

    2016-01-21

    We study the electron transmission through a Coulomb blockaded quantum emitter coupled to metal nanoparticles possessing plasmon resonances by employing the time-dependent non-crossing approximation. We find that the coupling of the nanoparticle plasmons with the excitons results in a significant enhancement of the conductance through the discrete state with higher energy beyond the unitarity limit while the other discrete state with lower energy remains Coulomb blockaded. We show that boosting the plasmon-exciton coupling well below the Kondo temperature increases the enhancement adding another quantum of counductance upon saturation. Finite bias and increasing emitter resonance energy tend to reduce this enhancement. We attribute these observations to the opening of an additional transport channel via the plasmon-exciton coupling.

  13. Modelling debris transport within glaciers by advection in a full-Stokes ice flow model

    Science.gov (United States)

    Wirbel, Anna; Jarosch, Alexander H.; Nicholson, Lindsey

    2017-04-01

    As mountain glaciers recede worldwide, an increasing proportion of the remaining glacierized area is expected to become debris covered. The spatio-temporal development of a surface debris cover has profound effects on the glacier behaviour and meltwater generation, yet little is known about how glacier dynamics influence the spatial distribution of an emerging debris cover. Motivated by this lack of understanding, we present a coupled model to simulate advection and resulting deformation of debris features within glaciers. The finite element model developed in python consists of an advection scheme coupled to a full-Stokes ice flow model, using FEniCS as the numerical framework. We show results from numerical tests that demonstrate its suitability to model advection-dominated transport of concentration in a divergence-free velocity field. The capabilities of the coupled model are demonstrated by simulating transport of debris features of different initial size, shape and location through modelled velocity fields of representative mountain glaciers. The results indicate that deformation of initial debris inputs, as a consequence of being transported through the glacier, plays an important role in determining the location and rate of debris emergence at the glacier surface. The presented work lays the foundation for comprehensive simulations of realistic patterns of debris cover, their spatial and temporal variability and the timescales over which debris covers can form.

  14. Coupling approaches used in atmospheric entry models

    Science.gov (United States)

    Gritsevich, M. I.

    2012-09-01

    While a planet orbits the Sun, it is subject to impact by smaller objects, ranging from tiny dust particles and space debris to much larger asteroids and comets. Such collisions have taken place frequently over geological time and played an important role in the evolution of planets and the development of life on the Earth. Though the search for near-Earth objects addresses one of the main points of the Asteroid and Comet Hazard, one should not underestimate the useful information to be gleaned from smaller atmospheric encounters, known as meteors or fireballs. Not only do these events help determine the linkages between meteorites and their parent bodies; due to their relative regularity they provide a good statistical basis for analysis. For successful cases with found meteorites, the detailed atmospheric path record is an excellent tool to test and improve existing entry models assuring the robustness of their implementation. There are many more important scientific questions meteoroids help us to answer, among them: Where do these objects come from, what are their origins, physical properties and chemical composition? What are the shapes and bulk densities of the space objects which fully ablate in an atmosphere and do not reach the planetary surface? Which values are directly measured and which are initially assumed as input to various models? How to couple both fragmentation and ablation effects in the model, taking real size distribution of fragments into account? How to specify and speed up the recovery of a recently fallen meteorites, not letting weathering to affect samples too much? How big is the pre-atmospheric projectile to terminal body ratio in terms of their mass/volume? Which exact parameters beside initial mass define this ratio? More generally, how entering object affects Earth's atmosphere and (if applicable) Earth's surface? How to predict these impact consequences based on atmospheric trajectory data? How to describe atmospheric entry

  15. Error estimation and adaptive chemical transport modeling

    Directory of Open Access Journals (Sweden)

    Malte Braack

    2014-09-01

    Full Text Available We present a numerical method to use several chemical transport models of increasing accuracy and complexity in an adaptive way. In largest parts of the domain, a simplified chemical model may be used, whereas in certain regions a more complex model is needed for accuracy reasons. A mathematically derived error estimator measures the modeling error and provides information where to use more accurate models. The error is measured in terms of output functionals. Therefore, one has to consider adjoint problems which carry sensitivity information. This concept is demonstrated by means of ozone formation and pollution emission.

  16. Status of the seamless coupled modelling system ICON-ART

    Science.gov (United States)

    Vogel, Bernhard; Rieger, Daniel; Schroeter, Jenniffer; Bischoff-Gauss, Inge; Deetz, Konrad; Eckstein, Johannes; Foerstner, Jochen; Gasch, Philipp; Ruhnke, Roland; Vogel, Heike; Walter, Carolin; Weimer, Michael

    2016-04-01

    The integrated modelling framework ICON-ART [1] (ICOsahedral Nonhydrostatic - Aerosols and Reactive Trace gases) extends the numerical weather prediction modelling system ICON by modules for gas phase chemistry, aerosol dynamics and related feedback processes. The nonhydrostatic global modelling system ICON [2] is a joint development of German Weather Service (DWD) and Max Planck Institute for Meteorology (MPI-M) with local grid refinement down to grid sizes of a few kilometers. It will be used for numerical weather prediction, climate projections and for research purposes. Since January 2016 ICON runs operationally at DWD for weather forecast on the global scale with a grid size of 13 km. Analogous to its predecessor COSMO-ART [3], ICON-ART is designed to account for feedback processes between meteorological variables and atmospheric trace substances. Up to now, ICON-ART contains the dispersion of volcanic ash, radioactive tracers, sea salt aerosol, as well as ozone-depleting stratospheric trace substances [1]. Recently, we have extended ICON-ART by a mineral dust emission scheme with global applicability and nucleation parameterizations which allow the cloud microphysics to explicitly account for prognostic aerosol distributions. Also very recently an emission scheme for volatile organic compounds was included. We present first results of the impact of natural aerosol (i.e. sea salt aerosol and mineral dust) on cloud properties and precipitation as well as the interaction of primary emitted particles with radiation. Ongoing developments are the coupling with a radiation scheme to calculate the photolysis frequencies, a coupling with the RADMKA (1) chemistry and first steps to include isotopologues of water. Examples showing the capabilities of the model system will be presented. This includes a simulation of the transport of ozone depleting short-lived trace gases from the surface into the stratosphere as well as of long-lived tracers. [1] Rieger, D., et al

  17. Coupling Seepage and Radionuclide Transport in and Around Emplacement Drifts at Yucca Mountain

    Science.gov (United States)

    Zhang, G.; Spycher, N.; Sonnenthal, E.; Steefel, C.

    2007-12-01

    The proposed nuclear waste repository of the United States is located at Yucca Mountain, Nevada. Waste packages will be placed in deep (~350 m) underground drifts in volcanic tuff. Seepage may potentially occur at the repository drifts when the drifts get rewetted after a dryout period. The potential seepage water will be quickly evaporated or boiled to near dryness as long as it falls on the top of the hot waste package leading to formation of brine, precipitation of salts and volatilization of gases. These processes may potentially impact the long-term safety of waste packages in the drift. The objectives of this study are to: (1) develop a quantitative model of coupled thermal, hydrological, and chemical (THC) processes potentially leading to brine formation, salt precipitation and gas volatilization on top of waste packages and/or a drip shield and (2) dynamically integrate such a model into the larger-scale models of processes within and around waste emplacement drifts, as well as into the smaller-scale waste-package corrosion models. Process models were implemented into an existing reactive transport numerical simulator, TOUGHREACT, to allow modeling of (1) evaporative concentration to very high ionic strength (up to 40 molal), (2) boiling point elevation due to dissolved salts, (3) boiling/evaporation to dryness, and (4) salt deliquescence. An integrated near-field and in-drift THC simulation was run using a vertical 2-D grid extending from near the ground surface to the groundwater table, and covering a width equal to half the design drift spacing of 81 m. The integrated model was then used to simulate a discrete dripping event within the drift. The model considered the release of radionuclides into seepage water as this water contacts the waste package and flows through the invert. The precipitation of uranophane and Np-uranophane was also considered. These minerals form in the invert from the neutralization of mildly acidic seepage water by clay minerals

  18. Modeling Coupled Processes in Clay Formations for Radioactive Waste Disposal

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Hui-Hai; Rutqvist, Jonny; Zheng, Liange; Sonnenthal, Eric; Houseworth, Jim; Birkholzer, Jens

    2010-08-31

    As a result of the termination of the Yucca Mountain Project, the United States Department of Energy (DOE) has started to explore various alternative avenues for the disposition of used nuclear fuel and nuclear waste. The overall scope of the investigation includes temporary storage, transportation issues, permanent disposal, various nuclear fuel types, processing alternatives, and resulting waste streams. Although geologic disposal is not the only alternative, it is still the leading candidate for permanent disposal. The realm of geologic disposal also offers a range of geologic environments that may be considered, among those clay shale formations. Figure 1-1 presents the distribution of clay/shale formations within the USA. Clay rock/shale has been considered as potential host rock for geological disposal of high-level nuclear waste throughout the world, because of its low permeability, low diffusion coefficient, high retention capacity for radionuclides, and capability to self-seal fractures induced by tunnel excavation. For example, Callovo-Oxfordian argillites at the Bure site, France (Fouche et al., 2004), Toarcian argillites at the Tournemire site, France (Patriarche et al., 2004), Opalinus clay at the Mont Terri site, Switzerland (Meier et al., 2000), and Boom clay at Mol site, Belgium (Barnichon et al., 2005) have all been under intensive scientific investigations (at both field and laboratory scales) for understanding a variety of rock properties and their relations with flow and transport processes associated with geological disposal of nuclear waste. Clay/shale formations may be generally classified as indurated and plastic clays (Tsang et al., 2005). The latter (including Boom clay) is a softer material without high cohesion; its deformation is dominantly plastic. For both clay rocks, coupled thermal, hydrological, mechanical and chemical (THMC) processes are expected to have a significant impact on the long-term safety of a clay repository. For

  19. External forces influence the elastic coupling effects during cargo transport by molecular motors.

    Science.gov (United States)

    Berger, Florian; Keller, Corina; Klumpp, Stefan; Lipowsky, Reinhard

    2015-02-01

    Cellular transport is achieved by the cooperative action of molecular motors which are elastically linked to a common cargo. When the motors pull on the cargo at the same time, they experience fluctuating elastic strain forces induced by the stepping of the other motors. These elastic coupling forces can influence the motors' stepping and unbinding behavior and thereby the ability to transport cargos. Based on a generic single motor description, we introduce a framework that explains the response of two identical molecular motors to a constant external force. In particular, we relate the single motor parameters, the coupling strength and the external load force to the dynamics of the motor pair. We derive four distinct transport regimes and determine how the crossover lines between the regimes depend on the load force. Our description of the overall cargo dynamics takes into account relaxational displacements of the cargo caused by the unbinding of one motor. For large forces and weak elastic coupling these back-shifts dominate the displacements. To develop an intuitive understanding about motor cooperativity during cargo transport, we introduce a time scale for load sharing. This time scale allows us to predict how the regulation of single motor parameters influences the cooperativity. As an example, we show that up-regulating the single motor processivity enhances load sharing of the motor pair.

  20. Transport of high intensity laser-generated hot electrons in cone coupled wire targets

    Science.gov (United States)

    Beg, Farhat

    2008-04-01

    In this talk, we present results from a series of experiments where cone-wire targets were employed both to assess hot electron coupling efficiency, and to reveal the source temperature of the hot electrons. Experiments were performed on the petawatt laser at the Rutherford Appleton Laboratory. A 500J, 1ps laser (I ˜ 4 x 10^20 W/cm-2) was focused by an f/3 off-axis parabolic mirror into hollow aluminum cones joined at their tip to Cu wires of diameters from 10 to 40 μm. The three main diagnostics fielded were a copper Kalpha Bragg crystal imager, a single hit CCD camera spectrometer and a Highly Oriented Pyrolytic Graphite (HOPG) spectrometer. The resulting data were cross-calibrated to obtain the absolute Kalpha yield. Comparison of the axially diminishing absolute Cu Kα intensity with modeling shows that the penetration of the hot electrons is consistent with one dimensional ohmic potential limited transport (1/e length ˜ 100 μm). The laser coupling efficiency to electron energy within the wire is shown to be proportional to the cross sectional area of the wire, reaching 15% for 40 μm wires. We find that the hot electron temperature within the wire was <=750 keV, significantly lower than that predicted by the ponderomotive scaling. A comparison of the experimental results with 2D hybrid PIC simulations using e-PLAS code will be presented and relevance to Fast Ignition will be discussed at the meeting. *In collaboration with J.A. King, M.H. Key, K.U. Akli, R.R. Freeman, J. Green, S. P. Hatchett, D. Hey, P. Jaanimagi, J. Koch, K. L. Lancaster, T. Ma, A.J. MacKinnon, A. MacPhee, R. Mason, P.A. Norreys, P.K Patel, T. Phillips, R. Stephens, W. Theobald, R.P.J. Town, M. Wei, L. Van Woerkom, B. Zhang.

  1. Electrical coupling between the human serotonin transporter and voltage-gated Ca(2+) channels.

    Science.gov (United States)

    Ruchala, Iwona; Cabra, Vanessa; Solis, Ernesto; Glennon, Richard A; De Felice, Louis J; Eltit, Jose M

    2014-07-01

    Monoamine transporters have been implicated in dopamine or serotonin release in response to abused drugs such as methamphetamine or ecstasy (MDMA). In addition, monoamine transporters show substrate-induced inward currents that may modulate excitability and Ca(2+) mobilization, which could also contribute to neurotransmitter release. How monoamine transporters modulate Ca(2+) permeability is currently unknown. We investigate the functional interaction between the human serotonin transporter (hSERT) and voltage-gated Ca(2+) channels (CaV). We introduce an excitable expression system consisting of cultured muscle cells genetically engineered to express hSERT. Both 5HT and S(+)MDMA depolarize these cells and activate the excitation-contraction (EC)-coupling mechanism. However, hSERT substrates fail to activate EC-coupling in CaV1.1-null muscle cells, thus implicating Ca(2+) channels. CaV1.3 and CaV2.2 channels are natively expressed in neurons. When these channels are co-expressed with hSERT in HEK293T cells, only cells expressing the lower-threshold L-type CaV1.3 channel show Ca(2+) transients evoked by 5HT or S(+)MDMA. In addition, the electrical coupling between hSERT and CaV1.3 takes place at physiological 5HT concentrations. The electrical coupling between monoamine neurotransmitter transporters and Ca(2+) channels such as CaV1.3 is a novel mechanism by which endogenous substrates (neurotransmitters) or exogenous substrates (like ecstasy) could modulate Ca(2+)-driven signals in excitable cells.

  2. A depth integrated model for suspended transport

    NARCIS (Netherlands)

    Galappatti, R.

    1983-01-01

    A new depth averaged model for suspended sediment transport in open channels has been developed based on an asymptotic solution to the two dimensional convection-diffusion equation in the vertical plane. The solution for the depth averaged concentration is derived from the bed boundary condition and

  3. Climate impact of transportation A model comparison

    NARCIS (Netherlands)

    Girod, B.; Vuuren, D.P. van; Grahn, M.; Kitous, A.; Kim, S.H.; Kyle, P.

    2013-01-01

    Transportation contributes to a significant and rising share of global energy use and GHG emissions. Therefore modeling future travel demand, its fuel use, and resulting CO2 emission is highly relevant for climate change mitigation. In this study we compare the baseline projections for global

  4. Transport properties of fully screened Kondo models

    NARCIS (Netherlands)

    Hörig, Christoph B M; Mora, Christophe; Schuricht, Dirk

    2014-01-01

    We study the nonequilibrium transport properties of fully (exactly) screened Kondo quantum dots subject to a finite bias voltage or a finite temperature. First, we calculate the Fermi-liquid coefficients of the conductance for models with arbitrary spin, i.e., its leading behavior for small bias vol

  5. Logistics Chains in Freight Transport Modelling

    NARCIS (Netherlands)

    Davydenko, I.Y.

    2015-01-01

    The flow of trade is not equal to transport flows, mainly due to the fact that warehouses and distribution facilities are used as intermediary stops on the way from production locations to the points of consumption or further rework of goods. This thesis proposes a logistics chain model, which estim

  6. Climate impact of transportation A model comparison

    NARCIS (Netherlands)

    Girod, B.; Vuuren, D.P. van; Grahn, M.; Kitous, A.; Kim, S.H.; Kyle, P.

    2013-01-01

    Transportation contributes to a significant and rising share of global energy use and GHG emissions. Therefore modeling future travel demand, its fuel use, and resulting CO2 emission is highly relevant for climate change mitigation. In this study we compare the baseline projections for global servic

  7. Logistics Chains in Freight Transport Modelling

    NARCIS (Netherlands)

    Davydenko, I.Y.

    2015-01-01

    The flow of trade is not equal to transport flows, mainly due to the fact that warehouses and distribution facilities are used as intermediary stops on the way from production locations to the points of consumption or further rework of goods. This thesis proposes a logistics chain model, which

  8. Equilibrium models in multimodal container transport systems

    NARCIS (Netherlands)

    Corman, F.; Viti, F.; Negenborn, R.R.

    2015-01-01

    Optimizing the performance of multimodal freight transport networks involves adequately balancing the interplay between costs, volumes, times of departure and arrival, and times of travel. In order to study this interplay, we propose an assignment model that is able to efficiently determine flows an

  9. Transient magneto-peristaltic flow of couple stress biofluids: a magneto-hydro-dynamical study on digestive transport phenomena.

    Science.gov (United States)

    Tripathi, Dharmendra; Anwar Bég, O

    2013-11-01

    Magnetic fields are increasingly being utilized in endoscopy and gastric transport control. In this regard, the present study investigates the influence of a transverse magnetic field in the transient peristaltic rheological transport. An electrically-conducting couple stress non-Newtonian model is employed to accurately simulate physiological fluids in peristaltic flow through a sinusoidally contracting channel of finite length. This model is designed for computing the intra-bolus oesophageal and intestinal pressures during the movement of food bolus in the digestive system under magneto-hydro-dynamic effects. Long wavelength and low Reynolds number approximations have been employed to reduce the governing equations from nonlinear to linear form, this being a valid approach for creeping flows which characterizes physiological dynamics. Analytical approximate solutions for axial velocity, transverse velocity, pressure gradient, local wall shear stress and volumetric flow rate are obtained for the non-dimensional conservation equations subject to appropriate boundary conditions. The effects of couple stress parameter and transverse magnetic field on the velocity profile, pressure distribution, local wall shear stress and the averaged flow rate are discussed with the aid of computational results. The comparative study of non-integral and integral number of waves propagating along the finite length channel is also presented. Magnetic field and non-Newtonian properties are found to strongly influence peristaltic transport.

  10. Molecular modeling of inelastic electron transport in molecular junctions

    Science.gov (United States)

    Jiang, Jun; Kula, Mathias; Luo, Yi

    2008-09-01

    A quantum chemical approach for the modeling of inelastic electron tunneling spectroscopy of molecular junctions based on scattering theory is presented. Within a harmonic approximation, the proposed method allows us to calculate the electron-vibration coupling strength analytically, which makes it applicable to many different systems. The calculated inelastic electron transport spectra are often in very good agreement with their experimental counterparts, allowing the revelation of detailed information about molecular conformations inside the junction, molecule-metal contact structures, and intermolecular interaction that is largely inaccessible experimentally.

  11. Molecular modeling of inelastic electron transport in molecular junctions

    Energy Technology Data Exchange (ETDEWEB)

    Jiang Jun; Kula, Mathias; Luo Yi [Department of Theoretical Chemistry, School of Biotechnology, Royal Institute of Technology, S-106 91 Stockholm (Sweden)], E-mail: luo@kth.se

    2008-09-17

    A quantum chemical approach for the modeling of inelastic electron tunneling spectroscopy of molecular junctions based on scattering theory is presented. Within a harmonic approximation, the proposed method allows us to calculate the electron-vibration coupling strength analytically, which makes it applicable to many different systems. The calculated inelastic electron transport spectra are often in very good agreement with their experimental counterparts, allowing the revelation of detailed information about molecular conformations inside the junction, molecule-metal contact structures, and intermolecular interaction that is largely inaccessible experimentally.

  12. Evidence for a Revised Ion/Substrate Coupling Stoichiometry of GABA Transporters.

    Science.gov (United States)

    Willford, Samantha L; Anderson, Cynthia M; Spencer, Shelly R; Eskandari, Sepehr

    2015-08-01

    Plasma membrane γ-aminobutyric acid (GABA) transporters (GATs) are electrogenic transport proteins that couple the cotranslocation of Na(+), Cl(-), and GABA across the plasma membrane of neurons and glia. A fundamental property of the transporter that determines its ability to concentrate GABA in cells and, hence, regulate synaptic and extra-synaptic GABA concentrations, is the ion/substrate coupling stoichiometry. Here, we scrutinized the currently accepted 2 Na(+):1 Cl(-):1 GABA stoichiometry because it is inconsistent with the measured net charge translocated per co-substrate (Na(+), Cl(-), and GABA). We expressed GAT1 and GAT3 in Xenopus laevis oocytes and utilized thermodynamic and uptake under voltage-clamp measurements to determine the stoichiometry of the GABA transporters. Voltage-clamped GAT1-expressing oocytes were internally loaded with GABA, and the reversal potential (V rev) of the transporter-mediated current was recorded at different external concentrations of Na(+), Cl(-), or GABA. The shifts in V rev for a tenfold change in the external Na(+), Cl(-), and GABA concentration were 84 ± 4, 30 ± 1, and 29 ± 1 mV, respectively. To determine the net charge translocated per Na(+), Cl(-), and GABA, we measured substrate fluxes under voltage clamp in cells expressing GAT1 or GAT3. Charge flux to substrate flux ratios were 0.7 ± 0.1 charge/Na(+), 2.0 ± 0.2 charges/Cl(-), and 2.1 ± 0.1 charges/GABA. Altogether, our results strongly suggest a 3 Na(+):1 Cl(-):1 GABA coupling stoichiometry for the GABA transporters. The revised stoichiometry has important implications for understanding the contribution of GATs to GABAergic signaling in health and disease.

  13. Unconventional quantized edge transport in the presence of inter-edge coupling in intercalated graphene

    OpenAIRE

    Li, Yuanchang

    2016-01-01

    It is generally believed that the inter-edge coupling destroys the quantum spin Hall (QSH) effect along with the gap opening at the Dirac points. Using first-principles calculations, we find that the quantized edge transport persists in the presence of inter-edge coupling in Ta intercalated epitaxial graphene on SiC(0001), being a QSH insulator with the non-trivial gap of 81 meV. In this case, the band is characterized by two perfect Dirac cones with different Fermi velocities, yet only one m...

  14. Real-time capable first principle based modelling of tokamak turbulent transport

    CERN Document Server

    Breton, S; Felici, F; Imbeaux, F; Aniel, T; Artaud, J F; Baiocchi, B; Bourdelle, C; Camenen, Y; Garcia, J

    2015-01-01

    A real-time capable core turbulence tokamak transport model is developed. This model is constructed from the regularized nonlinear regression of quasilinear gyrokinetic transport code output. The regression is performed with a multilayer perceptron neural network. The transport code input for the neural network training set consists of five dimensions, and is limited to adiabatic electrons. The neural network model successfully reproduces transport fluxes predicted by the original quasilinear model, while gaining five orders of magnitude in computation time. The model is implemented in a real-time capable tokamak simulator, and simulates a 300s ITER discharge in 10s. This proof-of-principle for regression based transport models anticipates a significant widening of input space dimensionality and physics realism for future training sets. This aims to provide unprecedented computational speed coupled with first-principle based physics for real-time control and integrated modelling applications.

  15. Spin-Polarized Transport through Parallel Double Quantum Dots Coupled to Ferromagnetic Leads

    Institute of Scientific and Technical Information of China (English)

    HOU Tao; WU Shao-Quan; BI Ai-Hua; YANG Fu-Bin; SUN Wei-Li

    2008-01-01

    We theoretically study the spin-polarized transport phenomena of the parallel double quantum dots