Adapting HYDRUS-1D to simulate overland flow and reactive transport during sheet flow deviations

USDA-ARS?s Scientific Manuscript database

The HYDRUS-1D code is a popular numerical model for solving the Richards equation for variably-saturated water flow and solute transport in porous media. This code was adapted to solve rather than the Richards equation for subsurface flow the diffusion wave equation for overland flow at the soil sur...

Cosmic-ray propagation with DRAGON2: I. numerical solver and astrophysical ingredients

DOE Office of Scientific and Technical Information (OSTI.GOV)

Evoli, Carmelo; Gaggero, Daniele; Vittino, Andrea

2017-02-01

We present version 2 of the DRAGON code designed for computing realistic predictions of the CR densities in the Galaxy. The code numerically solves the interstellar CR transport equation (including inhomogeneous and anisotropic diffusion, either in space and momentum, advective transport and energy losses), under realistic conditions. The new version includes an updated numerical solver and several models for the astrophysical ingredients involved in the transport equation. Improvements in the accuracy of the numerical solution are proved against analytical solutions and in reference diffusion scenarios. The novel features implemented in the code allow to simulate the diverse scenarios proposed tomore » reproduce the most recent measurements of local and diffuse CR fluxes, going beyond the limitations of the homogeneous galactic transport paradigm. To this end, several applications using DRAGON2 are presented as well. This new version facilitates the users to include their own physical models by means of a modular C++ structure.« less

Solute transport with equilibrium aqueous complexation and either sorption or ion exchange: Simulation methodology and applications

USGS Publications Warehouse

Lewis, F.M.; Voss, C.I.; Rubin, J.

1987-01-01

Methodologies that account for specific types of chemical reactions in the simulation of solute transport can be developed so they are compatible with solution algorithms employed in existing transport codes. This enables the simulation of reactive transport in complex multidimensional flow regimes, and provides a means for existing codes to account for some of the fundamental chemical processes that occur among transported solutes. Two equilibrium-controlled reaction systems demonstrate a methodology for accommodating chemical interaction into models of solute transport. One system involves the sorption of a given chemical species, as well as two aqueous complexations in which the sorbing species is a participant. The other reaction set involves binary ion exchange coupled with aqueous complexation involving one of the exchanging species. The methodology accommodates these reaction systems through the addition of nonlinear terms to the transport equations for the sorbing species. Example simulation results show (1) the effect equilibrium chemical parameters have on the spatial distributions of concentration for complexing solutes; (2) that an interrelationship exists between mechanical dispersion and the various reaction processes; (3) that dispersive parameters of the porous media cannot be determined from reactive concentration distributions unless the reaction is accounted for or the influence of the reaction is negligible; (4) how the concentration of a chemical species may be significantly affected by its participation in an aqueous complex with a second species which also sorbs; and (5) that these coupled chemical processes influencing reactive transport can be demonstrated in two-dimensional flow regimes. ?? 1987.

HZETRN: A heavy ion/nucleon transport code for space radiations

NASA Technical Reports Server (NTRS)

Wilson, John W.; Chun, Sang Y.; Badavi, Forooz F.; Townsend, Lawrence W.; Lamkin, Stanley L.

1991-01-01

The galactic heavy ion transport code (GCRTRN) and the nucleon transport code (BRYNTRN) are integrated into a code package (HZETRN). The code package is computer efficient and capable of operating in an engineering design environment for manned deep space mission studies. The nuclear data set used by the code is discussed including current limitations. Although the heavy ion nuclear cross sections are assumed constant, the nucleon-nuclear cross sections of BRYNTRN with full energy dependence are used. The relation of the final code to the Boltzmann equation is discussed in the context of simplifying assumptions. Error generation and propagation is discussed, and comparison is made with simplified analytic solutions to test numerical accuracy of the final results. A brief discussion of biological issues and their impact on fundamental developments in shielding technology is given.

Electron transport model of dielectric charging

NASA Technical Reports Server (NTRS)

Beers, B. L.; Hwang, H. C.; Lin, D. L.; Pine, V. W.

1979-01-01

A computer code (SCCPOEM) was assembled to describe the charging of dielectrics due to irradiation by electrons. The primary purpose for developing the code was to make available a convenient tool for studying the internal fields and charge densities in electron-irradiated dielectrics. The code, which is based on the primary electron transport code POEM, is applicable to arbitrary dielectrics, source spectra, and current time histories. The code calculations are illustrated by a series of semianalytical solutions. Calculations to date suggest that the front face electric field is insufficient to cause breakdown, but that bulk breakdown fields can easily be exceeded.

Nonperturbative methods in HZE ion transport

NASA Technical Reports Server (NTRS)

Wilson, John W.; Badavi, Francis F.; Costen, Robert C.; Shinn, Judy L.

1993-01-01

A nonperturbative analytic solution of the high charge and energy (HZE) Green's function is used to implement a computer code for laboratory ion beam transport. The code is established to operate on the Langley Research Center nuclear fragmentation model used in engineering applications. Computational procedures are established to generate linear energy transfer (LET) distributions for a specified ion beam and target for comparison with experimental measurements. The code is highly efficient and compares well with the perturbation approximations.

ITS Version 6 : the integrated TIGER series of coupled electron/photon Monte Carlo transport codes.

DOE Office of Scientific and Technical Information (OSTI.GOV)

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 methodmore » 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.« less

tran-SAS v1.0: a numerical model to compute catchment-scale hydrologic transport using StorAge Selection functions

NASA Astrophysics Data System (ADS)

Benettin, Paolo; Bertuzzo, Enrico

2018-04-01

This paper presents the tran-SAS package, which includes a set of codes to model solute transport and water residence times through a hydrological system. The model is based on a catchment-scale approach that aims at reproducing the integrated response of the system at one of its outlets. The codes are implemented in MATLAB and are meant to be easy to edit, so that users with minimal programming knowledge can adapt them to the desired application. The problem of large-scale solute transport has both theoretical and practical implications. On the one side, the ability to represent the ensemble of water flow trajectories through a heterogeneous system helps unraveling streamflow generation processes and allows us to make inferences on plant-water interactions. On the other side, transport models are a practical tool that can be used to estimate the persistence of solutes in the environment. The core of the package is based on the implementation of an age master equation (ME), which is solved using general StorAge Selection (SAS) functions. The age ME is first converted into a set of ordinary differential equations, each addressing the transport of an individual precipitation input through the catchment, and then it is discretized using an explicit numerical scheme. Results show that the implementation is efficient and allows the model to run in short times. The numerical accuracy is critically evaluated and it is shown to be satisfactory in most cases of hydrologic interest. Additionally, a higher-order implementation is provided within the package to evaluate and, if necessary, to improve the numerical accuracy of the results. The codes can be used to model streamflow age and solute concentration, but a number of additional outputs can be obtained by editing the codes to further advance the ability to understand and model catchment transport processes.

Approximate Green's function methods for HZE transport in multilayered materials

NASA Technical Reports Server (NTRS)

Wilson, John W.; Badavi, Francis F.; Shinn, Judy L.; Costen, Robert C.

1993-01-01

A nonperturbative analytic solution of the high charge and energy (HZE) Green's function is used to implement a computer code for laboratory ion beam transport in multilayered materials. The code is established to operate on the Langley nuclear fragmentation model used in engineering applications. Computational procedures are established to generate linear energy transfer (LET) distributions for a specified ion beam and target for comparison with experimental measurements. The code was found to be highly efficient and compared well with the perturbation approximation.

Solving the transport equation with quadratic finite elements: Theory and applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ferguson, J.M.

1997-12-31

At the 4th Joint Conference on Computational Mathematics, the author presented a paper introducing a new quadratic finite element scheme (QFEM) for solving the transport equation. In the ensuing year the author has obtained considerable experience in the application of this method, including solution of eigenvalue problems, transmission problems, and solution of the adjoint form of the equation as well as the usual forward solution. He will present detailed results, and will also discuss other refinements of his transport codes, particularly for 3-dimensional problems on rectilinear and non-rectilinear grids.

BRYNTRN: A baryon transport model

NASA Technical Reports Server (NTRS)

Wilson, John W.; Townsend, Lawrence W.; Nealy, John E.; Chun, Sang Y.; Hong, B. S.; Buck, Warren W.; Lamkin, S. L.; Ganapol, Barry D.; Khan, Ferdous; Cucinotta, Francis A.

1989-01-01

The development of an interaction data base and a numerical solution to the transport of baryons through an arbitrary shield material based on a straight ahead approximation of the Boltzmann equation are described. The code is most accurate for continuous energy boundary values, but gives reasonable results for discrete spectra at the boundary using even a relatively coarse energy grid (30 points) and large spatial increments (1 cm in H2O). The resulting computer code is self-contained, efficient and ready to use. The code requires only a very small fraction of the computer resources required for Monte Carlo codes.

Transport of a decay chain in homogenous porous media: analytical solutions.

PubMed

Bauer, P; Attinger, S; Kinzelbach, W

2001-06-01

With the aid of integral transforms, analytical solutions for the transport of a decay chain in homogenous porous media are derived. Unidirectional steady-state flow and radial steady-state flow in single and multiple porosity media are considered. At least in Laplace domain, all solutions can be written in closed analytical formulae. Partly, the solutions can also be inverted analytically. If not, analytical calculation of the steady-state concentration distributions, evaluation of temporal moments and numerical inversion are still possible. Formulae for several simple boundary conditions are given and visualized in this paper. The derived novel solutions are widely applicable and are very useful for the validation of numerical transport codes.

A Green's function method for heavy ion beam transport

NASA Technical Reports Server (NTRS)

Shinn, J. L.; Wilson, J. W.; Schimmerling, W.; Shavers, M. R.; Miller, J.; Benton, E. V.; Frank, A. L.; Badavi, F. F.

1995-01-01

The use of Green's function has played a fundamental role in transport calculations for high-charge high-energy (HZE) ions. Two recent developments have greatly advanced the practical aspects of implementation of these methods. The first was the formulation of a closed-form solution as a multiple fragmentation perturbation series. The second was the effective summation of the closed-form solution through nonperturbative techniques. The nonperturbative methods have been recently extended to an inhomogeneous, two-layer transport media to simulate the lead scattering foil present in the Lawrence Berkeley Laboratories (LBL) biomedical beam line used for cancer therapy. Such inhomogeneous codes are necessary for astronaut shielding in space. The transport codes utilize the Langley Research Center atomic and nuclear database. Transport code and database evaluation are performed by comparison with experiments performed at the LBL Bevalac facility using 670 A MeV 20Ne and 600 A MeV 56Fe ion beams. The comparison with a time-of-flight and delta E detector measurement for the 20Ne beam and the plastic nuclear track detectors for 56Fe show agreement up to 35%-40% in water and aluminium targets, respectively.

On the Development of a Deterministic Three-Dimensional Radiation Transport Code

NASA Technical Reports Server (NTRS)

Rockell, Candice; Tweed, John

2011-01-01

Since astronauts on future deep space missions will be exposed to dangerous radiations, there is a need to accurately model the transport of radiation through shielding materials and to estimate the received radiation dose. In response to this need a three dimensional deterministic code for space radiation transport is now under development. The new code GRNTRN is based on a Green's function solution of the Boltzmann transport equation that is constructed in the form of a Neumann series. Analytical approximations will be obtained for the first three terms of the Neumann series and the remainder will be estimated by a non-perturbative technique . This work discusses progress made to date and exhibits some computations based on the first two Neumann series terms.

A Benchmarking Initiative for Reactive Transport Modeling Applied to Subsurface Environmental Applications

NASA Astrophysics Data System (ADS)

Steefel, C. I.

2015-12-01

Over the last 20 years, we have seen the evolution of multicomponent reactive transport modeling and the expanding range and increasing complexity of subsurface environmental applications it is being used to address. Reactive transport modeling is being asked to provide accurate assessments of engineering performance and risk for important issues with far-reaching consequences. As a result, the complexity and detail of subsurface processes, properties, and conditions that can be simulated have significantly expanded. Closed form solutions are necessary and useful, but limited to situations that are far simpler than typical applications that combine many physical and chemical processes, in many cases in coupled form. In the absence of closed form and yet realistic solutions for complex applications, numerical benchmark problems with an accepted set of results will be indispensable to qualifying codes for various environmental applications. The intent of this benchmarking exercise, now underway for more than five years, is to develop and publish a set of well-described benchmark problems that can be used to demonstrate simulator conformance with norms established by the subsurface science and engineering community. The objective is not to verify this or that specific code--the reactive transport codes play a supporting role in this regard—but rather to use the codes to verify that a common solution of the problem can be achieved. Thus, the objective of each of the manuscripts is to present an environmentally-relevant benchmark problem that tests the conceptual model capabilities, numerical implementation, process coupling, and accuracy. The benchmark problems developed to date include 1) microbially-mediated reactions, 2) isotopes, 3) multi-component diffusion, 4) uranium fate and transport, 5) metal mobility in mining affected systems, and 6) waste repositories and related aspects.

Development of Tokamak Transport Solvers for Stiff Confinement Systems

NASA Astrophysics Data System (ADS)

St. John, H. E.; Lao, L. L.; Murakami, M.; Park, J. M.

2006-10-01

Leading transport models such as GLF23 [1] and MM95 [2] describe turbulent plasma energy, momentum and particle flows. In order to accommodate existing transport codes and associated solution methods effective diffusivities have to be derived from these turbulent flow models. This can cause significant problems in predicting unique solutions. We have developed a parallel transport code solver, GCNMP, that can accommodate both flow based and diffusivity based confinement models by solving the discretized nonlinear equations using modern Newton, trust region, steepest descent and homotopy methods. We present our latest development efforts, including multiple dynamic grids, application of two-level parallel schemes, and operator splitting techniques that allow us to combine flow based and diffusivity based models in tokamk simulations. 6pt [1] R.E. Waltz, et al., Phys. Plasmas 4, 7 (1997). [2] G. Bateman, et al., Phys. Plasmas 5, 1793 (1998).

Cove benchmark calculations using SAGUARO and FEMTRAN

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eaton, R.R.; Martinez, M.J.

1986-10-01

Three small-scale, time-dependent, benchmarking calculations have been made using the finite element codes SAGUARO, to determine hydraulic head and water velocity profiles, and FEMTRAN, to predict the solute transport. Sand and hard rock porous materials were used. Time scales for the problems, which ranged from tens of hours to thousands of years, have posed no particular diffculty for the two codes. Studies have been performed to determine the effects of computational mesh, boundary conditions, velocity formulation and SAGUARO/FEMTRAN code-coupling on water and solute transport. Results showed that mesh refinement improved mass conservation. Varying the drain-tile size in COVE 1N hadmore » a weak effect on the rate at which the tile field drained. Excellent agreement with published COVE 1N data was obtained for the hydrological field and reasonable agreement for the solute-concentration predictions. The question remains whether these types of calculations can be carried out on repository-scale problems using material characteristic curves representing tuff with fractures.« less

VERTPAK1. Code Verification Analytic Solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Golis, M.J.

1983-04-01

VERTPAK1 is a package of analytical solutions used in verification of numerical codes that simulate fluid flow, rock deformation, and solute transport in fractured and unfractured porous media. VERTPAK1 contains the following: BAREN, an analytical solution developed by Barenblatt, Zhelton and Kochina (1960) for describing transient flow to a well penetrating a (double porosity) confined aquifer; GIBMAC, an analytical solution developed by McNamee and Gibson (1960) for describing consolidation of a semi-infinite soil medium subject to a strip (plane strain) or cylindrical (axisymmetric) loading; GRINRH, an analytical solution developed by Gringarten (1971) for describing transient flow to a partially penetratingmore » well in a confined aquifer containing a single horizontal fracture; GRINRV, an analytical solution developed by Gringarten, Ramey, and Raghavan (1974) for describing transient flow to a fully penetrating well in a confined aquifer containing a single vertical fracture; HART, an analytical solution given by Nowacki (1962) and implemented by HART (1981) for describing the elastic behavior of an infinite solid subject to a line heat source; LESTER, an analytical solution presented by Lester, Jansen, and Burkholder (1975) for describing one-dimensional transport of radionuclide chains through an adsorbing medium; STRELT, an analytical solution presented by Streltsova-Adams (1978) for describing transient flow to a fully penetrating well in a (double porosity) confined aquifer; and TANG, an analytical solution developed by Tang, Frind, and Sudicky (1981) for describing solute transport in a porous medium containing a single fracture.« less

Validation of MCNP6 Version 1.0 with the ENDF/B-VII.1 Cross Section Library for Uranium Metal, Oxide, and Solution Systems on the High Performance Computing Platform Moonlight

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chapman, Bryan Scott; MacQuigg, Michael Robert; Wysong, Andrew Russell

In this document, the code MCNP is validated with ENDF/B-VII.1 cross section data under the purview of ANSI/ANS-8.24-2007, for use with uranium systems. MCNP is a computer code based on Monte Carlo transport methods. While MCNP has wide reading capability in nuclear transport simulation, this validation is limited to the functionality related to neutron transport and calculation of criticality parameters such as k eff.

BRYNTRN: A baryon transport computer code, computation procedures and data base

NASA Technical Reports Server (NTRS)

Wilson, John W.; Townsend, Lawrence W.; Chun, Sang Y.; Buck, Warren W.; Khan, Ferdous; Cucinotta, Frank

1988-01-01

The development is described of an interaction data base and a numerical solution to the transport of baryons through the arbitrary shield material based on a straight ahead approximation of the Boltzmann equation. The code is most accurate for continuous energy boundary values but gives reasonable results for discrete spectra at the boundary with even a relatively coarse energy grid (30 points) and large spatial increments (1 cm in H2O).

PBMC: Pre-conditioned Backward Monte Carlo code for radiative transport in planetary atmospheres

NASA Astrophysics Data System (ADS)

García Muñoz, A.; Mills, F. P.

2017-08-01

PBMC (Pre-Conditioned Backward Monte Carlo) solves the vector Radiative Transport Equation (vRTE) and can be applied to planetary atmospheres irradiated from above. The code builds the solution by simulating the photon trajectories from the detector towards the radiation source, i.e. in the reverse order of the actual photon displacements. In accounting for the polarization in the sampling of photon propagation directions and pre-conditioning the scattering matrix with information from the scattering matrices of prior (in the BMC integration order) photon collisions, PBMC avoids the unstable and biased solutions of classical BMC algorithms for conservative, optically-thick, strongly-polarizing media such as Rayleigh atmospheres.

Un-collided-flux preconditioning for the first order transport equation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rigley, M.; Koebbe, J.; Drumm, C.

2013-07-01

Two codes were tested for the first order neutron transport equation using finite element methods. The un-collided-flux solution is used as a preconditioner for each of these methods. These codes include a least squares finite element method and a discontinuous finite element method. The performance of each code is shown on problems in one and two dimensions. The un-collided-flux preconditioner shows good speedup on each of the given methods. The un-collided-flux preconditioner has been used on the second-order equation, and here we extend those results to the first order equation. (authors)

Performance of a Bounce-Averaged Global Model of Super-Thermal Electron Transport in the Earth's Magnetic Field

NASA Technical Reports Server (NTRS)

McGuire, Tim

1998-01-01

In this paper, we report the results of our recent research on the application of a multiprocessor Cray T916 supercomputer in modeling super-thermal electron transport in the earth's magnetic field. In general, this mathematical model requires numerical solution of a system of partial differential equations. The code we use for this model is moderately vectorized. By using Amdahl's Law for vector processors, it can be verified that the code is about 60% vectorized on a Cray computer. Speedup factors on the order of 2.5 were obtained compared to the unvectorized code. In the following sections, we discuss the methodology of improving the code. In addition to our goal of optimizing the code for solution on the Cray computer, we had the goal of scalability in mind. Scalability combines the concepts of portabilty with near-linear speedup. Specifically, a scalable program is one whose performance is portable across many different architectures with differing numbers of processors for many different problem sizes. Though we have access to a Cray at this time, the goal was to also have code which would run well on a variety of architectures.

SUTRA: A model for 2D or 3D saturated-unsaturated, variable-density ground-water flow with solute or energy transport

USGS Publications Warehouse

Voss, Clifford I.; Provost, A.M.

2002-01-01

SUTRA (Saturated-Unsaturated Transport) is a computer program that simulates fluid movement and the transport of either energy or dissolved substances in a subsurface environment. This upgraded version of SUTRA adds the capability for three-dimensional simulation to the former code (Voss, 1984), which allowed only two-dimensional simulation. The code employs a two- or three-dimensional finite-element and finite-difference method to approximate the governing equations that describe the two interdependent processes that are simulated: 1) fluid density-dependent saturated or unsaturated ground-water flow; and 2) either (a) transport of a solute in the ground water, in which the solute may be subject to: equilibrium adsorption on the porous matrix, and both first-order and zero-order production or decay; or (b) transport of thermal energy in the ground water and solid matrix of the aquifer. SUTRA may also be used to simulate simpler subsets of the above processes. A flow-direction-dependent dispersion process for anisotropic media is also provided by the code and is introduced in this report. As the primary calculated result, SUTRA provides fluid pressures and either solute concentrations or temperatures, as they vary with time, everywhere in the simulated subsurface system. SUTRA flow simulation may be employed for two-dimensional (2D) areal, cross sectional and three-dimensional (3D) modeling of saturated ground-water flow systems, and for cross sectional and 3D modeling of unsaturated zone flow. Solute-transport simulation using SUTRA may be employed to model natural or man-induced chemical-species transport including processes of solute sorption, production, and decay. For example, it may be applied to analyze ground-water contaminant transport problems and aquifer restoration designs. In addition, solute-transport simulation with SUTRA may be used for modeling of variable-density leachate movement, and for cross sectional modeling of saltwater intrusion in aquifers at near-well or regional scales, with either dispersed or relatively sharp transition zones between freshwater and saltwater. SUTRA energy-transport simulation may be employed to model thermal regimes in aquifers, subsurface heat conduction, aquifer thermal-energy storage systems, geothermal reservoirs, thermal pollution of aquifers, and natural hydrogeologic convection systems. Mesh construction, which is quite flexible for arbitrary geometries, employs quadrilateral finite elements in 2D Cartesian or radial-cylindrical coordinate systems, and hexahedral finite elements in 3D systems. 3D meshes are currently restricted to be logically rectangular; in other words, they are similar to deformable finite-difference-style grids. Permeabilities may be anisotropic and may vary in both direction and magnitude throughout the system, as may most other aquifer and fluid properties. Boundary conditions, sources and sinks may be time dependent. A number of input data checks are made to verify the input data set. An option is available for storing intermediate results and restarting a simulation at the intermediate time. Output options include fluid velocities, fluid mass and solute mass or energy budgets, and time-varying observations at points in the system. Both the mathematical basis for SUTRA and the program structure are highly general, and are modularized to allow for straightforward addition of new methods or processes to the simulation. The FORTRAN-90 coding stresses clarity and modularity rather than efficiency, providing easy access for later modifications.

Development and application of a three dimensional numerical model for predicting pollutant and sediment transport using an Eulerian-Lagrangian marker particle technique

NASA Technical Reports Server (NTRS)

Pavish, D. L.; Spaulding, M. L.

1977-01-01

A computer coded Lagrangian marker particle in Eulerian finite difference cell solution to the three dimensional incompressible mass transport equation, Water Advective Particle in Cell Technique, WAPIC, was developed, verified against analytic solutions, and subsequently applied in the prediction of long term transport of a suspended sediment cloud resulting from an instantaneous dredge spoil release. Numerical results from WAPIC were verified against analytic solutions to the three dimensional incompressible mass transport equation for turbulent diffusion and advection of Gaussian dye releases in unbounded uniform and uniformly sheared uni-directional flow, and for steady-uniform plug channel flow. WAPIC was utilized to simulate an analytic solution for non-equilibrium sediment dropout from an initially vertically uniform particle distribution in one dimensional turbulent channel flow.

Extension of the BRYNTRN code to monoenergetic light ion beams

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.; Wilson, John W.; Badavi, Francis F.

1994-01-01

A monoenergetic version of the BRYNTRN transport code is extended to beam transport of light ions (H-2, H-3, He-3, and He-4) in shielding materials (thick targets). The redistribution of energy in nuclear reactions is included in transport solutions that use nuclear fragmentation models. We also consider an equilibrium target-fragment spectrum for nuclei with mass number greater than four to include target fragmentation effects in the linear energy transfer (LET) spectrum. Illustrative results for water and aluminum shielding, including energy and LET spectra, are discussed for high-energy beams of H-2 and He-4.

Numerical solution of Space Shuttle Orbiter flow field including real gas effects

NASA Technical Reports Server (NTRS)

Prabhu, D. K.; Tannehill, J. C.

1984-01-01

The hypersonic, laminar flow around the Space Shuttle Orbiter has been computed for both an ideal gas (gamma = 1.2) and equilibrium air using a real-gas, parabolized Navier-Stokes code. This code employs a generalized coordinate transformation; hence, it places no restrictions on the orientation of the solution surfaces. The initial solution in the nose region was computed using a 3-D, real-gas, time-dependent Navier-Stokes code. The thermodynamic and transport properties of equilibrium air were obtained from either approximate curve fits or a table look-up procedure. Numerical results are presented for flight conditions corresponding to the STS-3 trajectory. The computed surface pressures and convective heating rates are compared with data from the STS-3 flight.

An Improved Neutron Transport Algorithm for Space Radiation

NASA Technical Reports Server (NTRS)

Heinbockel, John H.; Clowdsley, Martha S.; Wilson, John W.

2000-01-01

A low-energy neutron transport algorithm for use in space radiation protection is developed. The algorithm is based upon a multigroup analysis of the straight-ahead Boltzmann equation by using a mean value theorem for integrals. This analysis is accomplished by solving a realistic but simplified neutron transport test problem. The test problem is analyzed by using numerical and analytical procedures to obtain an accurate solution within specified error bounds. Results from the test problem are then used for determining mean values associated with rescattering terms that are associated with a multigroup solution of the straight-ahead Boltzmann equation. The algorithm is then coupled to the Langley HZETRN code through the evaporation source term. Evaluation of the neutron fluence generated by the solar particle event of February 23, 1956, for a water and an aluminum-water shield-target configuration is then compared with LAHET and MCNPX Monte Carlo code calculations for the same shield-target configuration. The algorithm developed showed a great improvement in results over the unmodified HZETRN solution. In addition, a two-directional solution of the evaporation source showed even further improvement of the fluence near the front of the water target where diffusion from the front surface is important.

Murt user`s guide: A hybrid Lagrangian-Eulerian finite element model of multiple-pore-region solute transport through subsurface media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gwo, J.P.; Jardine, P.M.; Yeh, G.T.

Matrix diffusion, a diffusive mass transfer process,in the structured soils and geologic units at ORNL, is believe to be an important subsurface mass transfer mechanism; it may affect off-site movement of radioactive wastes and remediation of waste disposal sites by locally exchanging wastes between soil/rock matrix and macropores/fractures. Advective mass transfer also contributes to waste movement but is largely neglected by researchers. This report presents the first documented 2-D multiregion solute transport code (MURT) that incorporates not only diffusive but also advective mass transfer and can be applied to heterogeneous porous media under transient flow conditions. In this report, theoreticalmore » background is reviewed and the derivation of multiregion solute transport equations is presented. Similar to MURF (Gwo et al. 1994), a multiregion subsurface flow code, multiplepore domains as suggested by previous investigators (eg, Wilson and Luxmoore 1988) can be implemented in MURT. Transient or steady-state flow fields of the pore domains can be either calculated by MURF or by modelers. The mass transfer process is briefly discussed through a three-pore-region multiregion solute transport mechanism. Mass transfer equations that describe mass flux across pore region interfaces are also presented and parameters needed to calculate mass transfer coefficients detailed. Three applications of MURT (tracer injection problem, sensitivity analysis of advective and diffusive mass transfer, hillslope ponding infiltration and secondary source problem) were simulated and results discussed. Program structure of MURT and functions of MURT subroutiness are discussed so that users can adapt the code; guides for input data preparation are provided in appendices.« less

Shielding from space radiations

NASA Technical Reports Server (NTRS)

Chang, C. Ken; Badavi, Forooz F.; Tripathi, Ram K.

1993-01-01

This Progress Report covering the period of December 1, 1992 to June 1, 1993 presents the development of an analytical solution to the heavy ion transport equation in terms of Green's function formalism. The mathematical development results are recasted into a highly efficient computer code for space applications. The efficiency of this algorithm is accomplished by a nonperturbative technique of extending the Green's function over the solution domain. The code may also be applied to accelerator boundary conditions to allow code validation in laboratory experiments. Results from the isotopic version of the code with 59 isotopes present for a single layer target material, for the case of an iron beam projectile at 600 MeV/nucleon in water is presented. A listing of the single layer isotopic version of the code is included.

TOUGHREACT: a new code of the TOUGH Family for Non-Isothermal multiphase reactive geochemical transport in variably saturated geologic media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Tianfu; Sonnenthal, Eric; Spycher, Nicolas

Coupled modeling of subsurface multiphase fluid and heat flow, solute transport and chemical reactions can be used for the assessment of acid mine drainage remediation, waste disposal sites, hydrothermal convection, contaminant transport, and groundwater quality. We have developed a comprehensive numerical simulator, TOUGHREACT, which considers non-isothermal multi-component chemical transport in both liquid and gas phases. A wide range of subsurface thermo-physical-chemical processes is considered under various thermohydrological and geochemical conditions of pressure, temperature, water saturation, and ionic strength. The code can be applied to one-, two- or three-dimensional porous and fractured media with physical and chemical heterogeneity.

Analytical three-dimensional neutron transport benchmarks for verification of nuclear engineering codes. Final report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ganapol, B.D.; Kornreich, D.E.

Because of the requirement of accountability and quality control in the scientific world, a demand for high-quality analytical benchmark calculations has arisen in the neutron transport community. The intent of these benchmarks is to provide a numerical standard to which production neutron transport codes may be compared in order to verify proper operation. The overall investigation as modified in the second year renewal application includes the following three primary tasks. Task 1 on two dimensional neutron transport is divided into (a) single medium searchlight problem (SLP) and (b) two-adjacent half-space SLP. Task 2 on three-dimensional neutron transport covers (a) pointmore » source in arbitrary geometry, (b) single medium SLP, and (c) two-adjacent half-space SLP. Task 3 on code verification, includes deterministic and probabilistic codes. The primary aim of the proposed investigation was to provide a suite of comprehensive two- and three-dimensional analytical benchmarks for neutron transport theory applications. This objective has been achieved. The suite of benchmarks in infinite media and the three-dimensional SLP are a relatively comprehensive set of one-group benchmarks for isotropically scattering media. Because of time and resource limitations, the extensions of the benchmarks to include multi-group and anisotropic scattering are not included here. Presently, however, enormous advances in the solution for the planar Green`s function in an anisotropically scattering medium have been made and will eventually be implemented in the two- and three-dimensional solutions considered under this grant. Of particular note in this work are the numerical results for the three-dimensional SLP, which have never before been presented. The results presented were made possible only because of the tremendous advances in computing power that have occurred during the past decade.« less

Reactor Dosimetry Applications Using RAPTOR-M3G:. a New Parallel 3-D Radiation Transport Code

NASA Astrophysics Data System (ADS)

Longoni, Gianluca; Anderson, Stanwood L.

2009-08-01

The numerical solution of the Linearized Boltzmann Equation (LBE) via the Discrete Ordinates method (SN) requires extensive computational resources for large 3-D neutron and gamma transport applications due to the concurrent discretization of the angular, spatial, and energy domains. This paper will discuss the development RAPTOR-M3G (RApid Parallel Transport Of Radiation - Multiple 3D Geometries), a new 3-D parallel radiation transport code, and its application to the calculation of ex-vessel neutron dosimetry responses in the cavity of a commercial 2-loop Pressurized Water Reactor (PWR). RAPTOR-M3G is based domain decomposition algorithms, where the spatial and angular domains are allocated and processed on multi-processor computer architectures. As compared to traditional single-processor applications, this approach reduces the computational load as well as the memory requirement per processor, yielding an efficient solution methodology for large 3-D problems. Measured neutron dosimetry responses in the reactor cavity air gap will be compared to the RAPTOR-M3G predictions. This paper is organized as follows: Section 1 discusses the RAPTOR-M3G methodology; Section 2 describes the 2-loop PWR model and the numerical results obtained. Section 3 addresses the parallel performance of the code, and Section 4 concludes this paper with final remarks and future work.

(U) Introduction to Monte Carlo Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hungerford, Aimee L.

2017-03-20

Monte Carlo methods are very valuable for representing solutions to particle transport problems. Here we describe a “cook book” approach to handling the terms in a transport equation using Monte Carlo methods. Focus is on the mechanics of a numerical Monte Carlo code, rather than the mathematical foundations of the method.

Analytical solutions for one-, two-, and three-dimensional solute transport in ground-water systems with uniform flow

USGS Publications Warehouse

Wexler, Eliezer J.

1992-01-01

Analytical solutions to the advective-dispersive solute-transport equation are useful in predicting the fate of solutes in ground water. Analytical solutions compiled from available literature or derived by the author are presented for a variety of boundary condition types and solute-source configurations in one-, two-, and three-dimensional systems having uniform ground-water flow. A set of user-oriented computer programs was created to evaluate these solutions and to display the results in tabular and computer-graphics format. These programs incorporate many features that enhance their accuracy, ease of use, and versatility. Documentation for the programs describes their operation and required input data, and presents the results of sample problems. Derivations of selected solutions, source codes for the computer programs, and samples of program input and output also are included.

Studies of HZE particle interactions and transport for space radiation protection purposes

NASA Technical Reports Server (NTRS)

Townsend, Lawrence W.; Wilson, John W.; Schimmerling, Walter; Wong, Mervyn

1987-01-01

The main emphasis is on developing general methods for accurately predicting high-energy heavy ion (HZE) particle interactions and transport for use by researchers in mission planning studies, in evaluating astronaut self-shielding factors, and in spacecraft shield design and optimization studies. The two research tasks are: (1) to develop computationally fast and accurate solutions to the Boltzmann (transport) equation; and (2) to develop accurate HZE interaction models, from fundamental physical considerations, for use as inputs into these transport codes. Accurate solutions to the HZE transport problem have been formulated through a combination of analytical and numerical techniques. In addition, theoretical models for the input interaction parameters are under development: stopping powers, nuclear absorption cross sections, and fragmentation parameters.

Spheromak reactor-design study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Les, J.M.

1981-06-30

A general overview of spheromak reactor characteristics, such as MHD stability, start up, and plasma geometry is presented. In addition, comparisons are made between spheromaks, tokamaks and field reversed mirrors. The computer code Sphero is also discussed. Sphero is a zero dimensional time independent transport code that uses particle confinement times and profile parameters as input since they are not known with certainty at the present time. More specifically, Sphero numerically solves a given set of transport equations whose solutions include such variables as fuel ion (deuterium and tritium) density, electron density, alpha particle density and ion, electron temperatures.

How to Find a Bug in Ten Thousand Lines Transport Solver? Outline of Experiences from AN Advection-Diffusion Code Verification

NASA Astrophysics Data System (ADS)

Zamani, K.; Bombardelli, F.

2011-12-01

Almost all natural phenomena on Earth are highly nonlinear. Even simplifications to the equations describing nature usually end up being nonlinear partial differential equations. Transport (ADR) equation is a pivotal equation in atmospheric sciences and water quality. This nonlinear equation needs to be solved numerically for practical purposes so academicians and engineers thoroughly rely on the assistance of numerical codes. Thus, numerical codes require verification before they are utilized for multiple applications in science and engineering. Model verification is a mathematical procedure whereby a numerical code is checked to assure the governing equation is properly solved as it is described in the design document. CFD verification is not a straightforward and well-defined course. Only a complete test suite can uncover all the limitations and bugs. Results are needed to be assessed to make a distinction between bug-induced-defect and innate limitation of a numerical scheme. As Roache (2009) said, numerical verification is a state-of-the-art procedure. Sometimes novel tricks work out. This study conveys the synopsis of the experiences we gained during a comprehensive verification process which was done for a transport solver. A test suite was designed including unit tests and algorithmic tests. Tests were layered in complexity in several dimensions from simple to complex. Acceptance criteria defined for the desirable capabilities of the transport code such as order of accuracy, mass conservation, handling stiff source term, spurious oscillation, and initial shape preservation. At the begining, mesh convergence study which is the main craft of the verification is performed. To that end, analytical solution of ADR equation gathered. Also a new solution was derived. In the more general cases, lack of analytical solution could be overcome through Richardson Extrapolation and Manufactured Solution. Then, two bugs which were concealed during the mesh convergence study uncovered with the method of false injection and visualization of the results. Symmetry had dual functionality: there was a bug, which was hidden due to the symmetric nature of a test (it was detected afterward utilizing artificial false injection), on the other hand self-symmetry was used to design a new test, and in a case the analytical solution of the ADR equation was unknown. Assisting subroutines designed to check and post-process conservation of mass and oscillatory behavior. Finally, capability of the solver also checked for stiff reaction source term. The above test suite not only was a decent tool of error detection but also it provided a thorough feedback on the ADR solvers limitations. Such information is the crux of any rigorous numerical modeling for a modeler who deals with surface/subsurface pollution transport.

Verification of Modelica-Based Models with Analytical Solutions for Tritium Diffusion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rader, Jordan D.; Greenwood, Michael Scott; Humrickhouse, Paul W.

Here, tritium transport in metal and molten salt fluids combined with diffusion through high-temperature structural materials is an important phenomenon in both magnetic confinement fusion (MCF) and molten salt reactor (MSR) applications. For MCF, tritium is desirable to capture for fusion fuel. For MSRs, uncaptured tritium potentially can be released to the environment. In either application, quantifying the time- and space-dependent tritium concentration in the working fluid(s) and structural components is necessary.Whereas capability exists specifically for calculating tritium transport in such systems (e.g., using TMAP for fusion reactors), it is desirable to unify the calculation of tritium transport with othermore » system variables such as dynamic fluid and structure temperature combined with control systems such as those that might be found in a system code. Some capability for radioactive trace substance transport exists in thermal-hydraulic systems codes (e.g., RELAP5-3D); however, this capability is not coupled to species diffusion through solids. Combined calculations of tritium transport and thermal-hydraulic solution have been demonstrated with TRIDENT but only for a specific type of MSR.Researchers at Oak Ridge National Laboratory have developed a set of Modelica-based dynamic system modeling tools called TRANsient Simulation Framework Of Reconfigurable Models (TRANSFORM) that were used previously to model advanced fission reactors and associated systems. In this system, the augmented TRANSFORM library includes dynamically coupled fluid and solid trace substance transport and diffusion. Results from simulations are compared against analytical solutions for verification.« less

Verification of Modelica-Based Models with Analytical Solutions for Tritium Diffusion

DOE PAGES

Rader, Jordan D.; Greenwood, Michael Scott; Humrickhouse, Paul W.

2018-03-20

Here, tritium transport in metal and molten salt fluids combined with diffusion through high-temperature structural materials is an important phenomenon in both magnetic confinement fusion (MCF) and molten salt reactor (MSR) applications. For MCF, tritium is desirable to capture for fusion fuel. For MSRs, uncaptured tritium potentially can be released to the environment. In either application, quantifying the time- and space-dependent tritium concentration in the working fluid(s) and structural components is necessary.Whereas capability exists specifically for calculating tritium transport in such systems (e.g., using TMAP for fusion reactors), it is desirable to unify the calculation of tritium transport with othermore » system variables such as dynamic fluid and structure temperature combined with control systems such as those that might be found in a system code. Some capability for radioactive trace substance transport exists in thermal-hydraulic systems codes (e.g., RELAP5-3D); however, this capability is not coupled to species diffusion through solids. Combined calculations of tritium transport and thermal-hydraulic solution have been demonstrated with TRIDENT but only for a specific type of MSR.Researchers at Oak Ridge National Laboratory have developed a set of Modelica-based dynamic system modeling tools called TRANsient Simulation Framework Of Reconfigurable Models (TRANSFORM) that were used previously to model advanced fission reactors and associated systems. In this system, the augmented TRANSFORM library includes dynamically coupled fluid and solid trace substance transport and diffusion. Results from simulations are compared against analytical solutions for verification.« less

AN EXACT SOLUTION FOR THE ASSESSMENT OF NONEQUILIBRIUM SORPTION OF RADIONUCLIDES IN THE VADOSE ZONE

EPA Science Inventory

In a report on model evaluation, the authors ran the HYDRUS Code, among other transport codes, to evaluate the impacts of nonequilibrium sorption sites on the time-evolution of 99Tc and 90Sr through the vadose zone. Since our evaluation was based on a rather low, annual recharge...

Simulations of 4D edge transport and dynamics using the TEMPEST gyro-kinetic code

NASA Astrophysics Data System (ADS)

Rognlien, T. D.; Cohen, B. I.; Cohen, R. H.; Dorr, M. R.; Hittinger, J. A. F.; Kerbel, G. D.; Nevins, W. M.; Xiong, Z.; Xu, X. Q.

2006-10-01

Simulation results are presented for tokamak edge plasmas with a focus on the 4D (2r,2v) option of the TEMPEST continuum gyro-kinetic code. A detailed description of a variety of kinetic simulations is reported, including neoclassical radial transport from Coulomb collisions, electric field generation, dynamic response to perturbations by geodesic acoustic modes, and parallel transport on open magnetic-field lines. Comparison is made between the characteristics of the plasma solutions on closed and open magnetic-field line regions separated by a magnetic separatrix, and simple physical models are used to qualitatively explain the differences observed in mean flow and electric-field generation. The status of extending the simulations to 5D turbulence will be summarized. The code structure used in this ongoing project is also briefly described, together with future plans.

TRANSP: status and planning

NASA Astrophysics Data System (ADS)

Andre, R.; Carlsson, J.; Gorelenkova, M.; Jardin, S.; Kaye, S.; Poli, F.; Yuan, X.

2016-10-01

TRANSP is an integrated interpretive and predictive transport analysis tool that incorporates state of the art heating/current drive sources and transport models. The treatments and transport solvers are becoming increasingly sophisticated and comprehensive. For instance, the ISOLVER component provides a free boundary equilibrium solution, while the PT- SOLVER transport solver is especially suited for stiff transport models such as TGLF. TRANSP incorporates high fidelity heating and current drive source models, such as NUBEAM for neutral beam injection, the beam tracing code TORBEAM for EC, TORIC for ICRF, the ray tracing TORAY and GENRAY for EC. The implementation of selected components makes efficient use of MPI for speed up of code calculations. Recently the GENRAY-CQL3D solver for modeling of LH heating and current drive has been implemented and currently being extended to multiple antennas, to allow modeling of EAST discharges. Also, GENRAY+CQL3D is being extended to the use of EC/EBW and of HHFW for NSTX-U. This poster will describe present uses of the code worldwide, as well as plans for upgrading the physics modules and code framework. Work supported by the US Department of Energy under DE-AC02-CH0911466.

Integrating Geochemical Reactions with a Particle-Tracking Approach to Simulate Nitrogen Transport and Transformation in Aquifers

NASA Astrophysics Data System (ADS)

Cui, Z.; Welty, C.; Maxwell, R. M.

2011-12-01

Lagrangian, particle-tracking models are commonly used to simulate solute advection and dispersion in aquifers. They are computationally efficient and suffer from much less numerical dispersion than grid-based techniques, especially in heterogeneous and advectively-dominated systems. Although particle-tracking models are capable of simulating geochemical reactions, these reactions are often simplified to first-order decay and/or linear, first-order kinetics. Nitrogen transport and transformation in aquifers involves both biodegradation and higher-order geochemical reactions. In order to take advantage of the particle-tracking approach, we have enhanced an existing particle-tracking code SLIM-FAST, to simulate nitrogen transport and transformation in aquifers. The approach we are taking is a hybrid one: the reactive multispecies transport process is operator split into two steps: (1) the physical movement of the particles including the attachment/detachment to solid surfaces, which is modeled by a Lagrangian random-walk algorithm; and (2) multispecies reactions including biodegradation are modeled by coupling multiple Monod equations with other geochemical reactions. The coupled reaction system is solved by an ordinary differential equation solver. In order to solve the coupled system of equations, after step 1, the particles are converted to grid-based concentrations based on the mass and position of the particles, and after step 2 the newly calculated concentration values are mapped back to particles. The enhanced particle-tracking code is capable of simulating subsurface nitrogen transport and transformation in a three-dimensional domain with variably saturated conditions. Potential application of the enhanced code is to simulate subsurface nitrogen loading to the Chesapeake Bay and its tributaries. Implementation details, verification results of the enhanced code with one-dimensional analytical solutions and other existing numerical models will be presented in addition to a discussion of implementation challenges.

Documentation of a graphical display program for the saturated- unsaturated transport (SUTRA) finite-element simulation model

USGS Publications Warehouse

Souza, W.R.

1987-01-01

This report documents a graphical display program for the U. S. Geological Survey finite-element groundwater flow and solute transport model. Graphic features of the program, SUTRA-PLOT (SUTRA-PLOT = saturated/unsaturated transport), include: (1) plots of the finite-element mesh, (2) velocity vector plots, (3) contour plots of pressure, solute concentration, temperature, or saturation, and (4) a finite-element interpolator for gridding data prior to contouring. SUTRA-PLOT is written in FORTRAN 77 on a PRIME 750 computer system, and requires Version 9.0 or higher of the DISSPLA graphics library. The program requires two input files: the SUTRA input data list and the SUTRA simulation output listing. The program is menu driven and specifications for individual types of plots are entered and may be edited interactively. Installation instruction, a source code listing, and a description of the computer code are given. Six examples of plotting applications are used to demonstrate various features of the plotting program. (Author 's abstract)

Analytical solutions for one-, two-, and three-dimensional solute transport in ground-water systems with uniform flow

USGS Publications Warehouse

Wexler, Eliezer J.

1989-01-01

Analytical solutions to the advective-dispersive solute-transport equation are useful in predicting the fate of solutes in ground water. Analytical solutions compiled from available literature or derived by the author are presented in this report for a variety of boundary condition types and solute-source configurations in one-, two-, and three-dimensional systems with uniform ground-water flow. A set of user-oriented computer programs was created to evaluate these solutions and to display the results in tabular and computer-graphics format. These programs incorporate many features that enhance their accuracy, ease of use, and versatility. Documentation for the programs describes their operation and required input data, and presents the results of sample problems. Derivations of select solutions, source codes for the computer programs, and samples of program input and output also are included.

Statistical Analysis of CFD Solutions from the Third AIAA Drag Prediction Workshop

NASA Technical Reports Server (NTRS)

Morrison, Joseph H.; Hemsch, Michael J.

2007-01-01

The first AIAA Drag Prediction Workshop, held in June 2001, evaluated the results from an extensive N-version test of a collection of Reynolds-Averaged Navier-Stokes CFD codes. The code-to-code scatter was more than an order of magnitude larger than desired for design and experimental validation of cruise conditions for a subsonic transport configuration. The second AIAA Drag Prediction Workshop, held in June 2003, emphasized the determination of installed pylon-nacelle drag increments and grid refinement studies. The code-to-code scatter was significantly reduced compared to the first DPW, but still larger than desired. However, grid refinement studies showed no significant improvement in code-to-code scatter with increasing grid refinement. The third Drag Prediction Workshop focused on the determination of installed side-of-body fairing drag increments and grid refinement studies for clean attached flow on wing alone configurations and for separated flow on the DLR-F6 subsonic transport model. This work evaluated the effect of grid refinement on the code-to-code scatter for the clean attached flow test cases and the separated flow test cases.

Chlorovirus-mediated membrane depolarization of Chlorella alters secondary active transport of solutes.

PubMed

Agarkova, Irina; Dunigan, David; Gurnon, James; Greiner, Timo; Barres, Julia; Thiel, Gerhard; Van Etten, James L

2008-12-01

Paramecium bursaria chlorella virus 1 (PBCV-1) is the prototype of a family of large, double-stranded DNA, plaque-forming viruses that infect certain eukaryotic chlorella-like green algae from the genus Chlorovirus. PBCV-1 infection results in rapid host membrane depolarization and potassium ion release. One interesting feature of certain chloroviruses is that they code for functional potassium ion-selective channel proteins (Kcv) that are considered responsible for the host membrane depolarization and, as a consequence, the efflux of potassium ions. This report examines the relationship between cellular depolarization and solute uptake. Annotation of the virus host Chlorella strain NC64A genome revealed 482 putative transporter-encoding genes; 224 are secondary active transporters. Solute uptake experiments using seven radioactive compounds revealed that virus infection alters the transport of all the solutes. However, the degree of inhibition varied depending on the solute. Experiments with nystatin, a drug known to depolarize cell membranes, produced changes in solute uptake that are similar but not identical to those that occurred during virus infection. Therefore, these studies indicate that chlorovirus infection causes a rapid and sustained depolarization of the host plasma membrane and that this depolarization leads to the inhibition of secondary active transporters that changes solute uptake.

An FPGA design of generalized low-density parity-check codes for rate-adaptive optical transport networks

NASA Astrophysics Data System (ADS)

Zou, Ding; Djordjevic, Ivan B.

2016-02-01

Forward error correction (FEC) is as one of the key technologies enabling the next-generation high-speed fiber optical communications. In this paper, we propose a rate-adaptive scheme using a class of generalized low-density parity-check (GLDPC) codes with a Hamming code as local code. We show that with the proposed unified GLDPC decoder architecture, a variable net coding gains (NCGs) can be achieved with no error floor at BER down to 10-15, making it a viable solution in the next-generation high-speed fiber optical communications.

Faster Heavy Ion Transport for HZETRN

NASA Technical Reports Server (NTRS)

Slaba, Tony C.

2013-01-01

The deterministic particle transport code HZETRN was developed to enable fast and accurate space radiation transport through materials. As more complex transport solutions are implemented for neutrons, light ions (Z < 2), mesons, and leptons, it is important to maintain overall computational efficiency. In this work, the heavy ion (Z > 2) transport algorithm in HZETRN is reviewed, and a simple modification is shown to provide an approximate 5x decrease in execution time for galactic cosmic ray transport. Convergence tests and other comparisons are carried out to verify that numerical accuracy is maintained in the new algorithm.

Study of helium emissions from active solar regions

NASA Technical Reports Server (NTRS)

Kulander, J. L.

1973-01-01

A theoretical study is made of the visible and UV line radiation of He I atoms and He II ions from a plane-parallel model flare layer. Codes were developed for the solution of the statistically steady state equation for a 30 level He I - II - III model, and the line and continuum transport equations. These codes are described and documented in the report along with sample solutions. Optical depths and some line intensities are presented for a 1000 km thick layer. Solutions of the steady state equations are presented for electron temperatures 10,000 to 50,000 K and electron densities 10 to the 10th power to 10 to the 14th power/cu cm.

MT3DMS: Model use, calibration, and validation

USGS Publications Warehouse

Zheng, C.; Hill, Mary C.; Cao, G.; Ma, R.

2012-01-01

MT3DMS is a three-dimensional multi-species solute transport model for solving advection, dispersion, and chemical reactions of contaminants in saturated groundwater flow systems. MT3DMS interfaces directly with the U.S. Geological Survey finite-difference groundwater flow model MODFLOW for the flow solution and supports the hydrologic and discretization features of MODFLOW. MT3DMS contains multiple transport solution techniques in one code, which can often be important, including in model calibration. Since its first release in 1990 as MT3D for single-species mass transport modeling, MT3DMS has been widely used in research projects and practical field applications. This article provides a brief introduction to MT3DMS and presents recommendations about calibration and validation procedures for field applications of MT3DMS. The examples presented suggest the need to consider alternative processes as models are calibrated and suggest opportunities and difficulties associated with using groundwater age in transport model calibration.

Groundwater flow with energy transport and water-ice phase change: Numerical simulations, benchmarks, and application to freezing in peat bogs

USGS Publications Warehouse

McKenzie, J.M.; Voss, C.I.; Siegel, D.I.

2007-01-01

In northern peatlands, subsurface ice formation is an important process that can control heat transport, groundwater flow, and biological activity. Temperature was measured over one and a half years in a vertical profile in the Red Lake Bog, Minnesota. To successfully simulate the transport of heat within the peat profile, the U.S. Geological Survey's SUTRA computer code was modified. The modified code simulates fully saturated, coupled porewater-energy transport, with freezing and melting porewater, and includes proportional heat capacity and thermal conductivity of water and ice, decreasing matrix permeability due to ice formation, and latent heat. The model is verified by correctly simulating the Lunardini analytical solution for ice formation in a porous medium with a mixed ice-water zone. The modified SUTRA model correctly simulates the temperature and ice distributions in the peat bog. Two possible benchmark problems for groundwater and energy transport with ice formation and melting are proposed that may be used by other researchers for code comparison. ?? 2006 Elsevier Ltd. All rights reserved.

A general time-dependent stochastic method for solving Parker's transport equation in spherical coordinates

NASA Astrophysics Data System (ADS)

Pei, C.; Bieber, J. W.; Burger, R. A.; Clem, J.

2010-12-01

We present a detailed description of our newly developed stochastic approach for solving Parker's transport equation, which we believe is the first attempt to solve it with time dependence in 3-D, evolving from our 3-D steady state stochastic approach. Our formulation of this method is general and is valid for any type of heliospheric magnetic field, although we choose the standard Parker field as an example to illustrate the steps to calculate the transport of galactic cosmic rays. Our 3-D stochastic method is different from other stochastic approaches in the literature in several ways. For example, we employ spherical coordinates to integrate directly, which makes the code much more efficient by reducing coordinate transformations. What is more, the equivalence between our stochastic differential equations and Parker's transport equation is guaranteed by Ito's theorem in contrast to some other approaches. We generalize the technique for calculating particle flux based on the pseudoparticle trajectories for steady state solutions and for time-dependent solutions in 3-D. To validate our code, first we show that good agreement exists between solutions obtained by our steady state stochastic method and a traditional finite difference method. Then we show that good agreement also exists for our time-dependent method for an idealized and simplified heliosphere which has a Parker magnetic field and a simple initial condition for two different inner boundary conditions.

VAVUQ, Python and Matlab freeware for Verification and Validation, Uncertainty Quantification

NASA Astrophysics Data System (ADS)

Courtney, J. E.; Zamani, K.; Bombardelli, F. A.; Fleenor, W. E.

2015-12-01

A package of scripts is presented for automated Verification and Validation (V&V) and Uncertainty Quantification (UQ) for engineering codes that approximate Partial Differential Equations (PDFs). The code post-processes model results to produce V&V and UQ information. This information can be used to assess model performance. Automated information on code performance can allow for a systematic methodology to assess the quality of model approximations. The software implements common and accepted code verification schemes. The software uses the Method of Manufactured Solutions (MMS), the Method of Exact Solution (MES), Cross-Code Verification, and Richardson Extrapolation (RE) for solution (calculation) verification. It also includes common statistical measures that can be used for model skill assessment. Complete RE can be conducted for complex geometries by implementing high-order non-oscillating numerical interpolation schemes within the software. Model approximation uncertainty is quantified by calculating lower and upper bounds of numerical error from the RE results. The software is also able to calculate the Grid Convergence Index (GCI), and to handle adaptive meshes and models that implement mixed order schemes. Four examples are provided to demonstrate the use of the software for code and solution verification, model validation and uncertainty quantification. The software is used for code verification of a mixed-order compact difference heat transport solver; the solution verification of a 2D shallow-water-wave solver for tidal flow modeling in estuaries; the model validation of a two-phase flow computation in a hydraulic jump compared to experimental data; and numerical uncertainty quantification for 3D CFD modeling of the flow patterns in a Gust erosion chamber.

Chlorovirus-Mediated Membrane Depolarization of Chlorella Alters Secondary Active Transport of Solutes▿

PubMed Central

Agarkova, Irina; Dunigan, David; Gurnon, James; Greiner, Timo; Barres, Julia; Thiel, Gerhard; Van Etten, James L.

2008-01-01

Paramecium bursaria chlorella virus 1 (PBCV-1) is the prototype of a family of large, double-stranded DNA, plaque-forming viruses that infect certain eukaryotic chlorella-like green algae from the genus Chlorovirus. PBCV-1 infection results in rapid host membrane depolarization and potassium ion release. One interesting feature of certain chloroviruses is that they code for functional potassium ion-selective channel proteins (Kcv) that are considered responsible for the host membrane depolarization and, as a consequence, the efflux of potassium ions. This report examines the relationship between cellular depolarization and solute uptake. Annotation of the virus host Chlorella strain NC64A genome revealed 482 putative transporter-encoding genes; 224 are secondary active transporters. Solute uptake experiments using seven radioactive compounds revealed that virus infection alters the transport of all the solutes. However, the degree of inhibition varied depending on the solute. Experiments with nystatin, a drug known to depolarize cell membranes, produced changes in solute uptake that are similar but not identical to those that occurred during virus infection. Therefore, these studies indicate that chlorovirus infection causes a rapid and sustained depolarization of the host plasma membrane and that this depolarization leads to the inhibition of secondary active transporters that changes solute uptake. PMID:18842725

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Freedman, Vicky L.; Chen, Yousu; Gilca, Alex

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 retardationmore » 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.« less

Status and Plans for the TRANSP Interpretive and Predictive Simulation Code

NASA Astrophysics Data System (ADS)

Kaye, Stanley; Andre, Robert; Marina, Gorelenkova; Yuan, Xingqui; Hawryluk, Richard; Jardin, Steven; Poli, Francesca

2015-11-01

TRANSP is an integrated interpretive and predictive transport analysis tool that incorporates state of the art heating/current drive sources and transport models. The treatments and transport solvers are becoming increasingly sophisticated and comprehensive. For instance, the ISOLVER component provides a free boundary equilibrium solution, while the PT_SOLVER transport solver is especially suited for stiff transport models such as TGLF. TRANSP also incorporates such source models as NUBEAM for neutral beam injection, GENRAY, TORAY, TORBEAM, TORIC and CQL3D for ICRH, LHCD, ECH and HHFW. The implementation of selected components makes efficient use of MPI for speed up of code calculations. TRANSP has a wide international user-base, and it is run on the FusionGrid to allow for timely support and quick turnaround by the PPPL Computational Plasma Physics Group. It is being used as a basis for both analysis and development of control algorithms and discharge operational scenarios, including simulation of ITER plasmas. This poster will describe present uses of the code worldwide, as well as plans for upgrading the physics modules and code framework. Progress on implementing TRANSP as a component in the ITER IMAS will also be described. This research was supported by the U.S. Department of Energy under contracts DE-AC02-09CH11466.

Isotopic Dependence of GCR Fluence behind Shielding

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.; Wilson, John W.; Saganti, Premkumar; Kim, Myung-Hee Y.; Cleghorn, Timothy; Zeitlin, Cary; Tripathi, Ram K.

2006-01-01

In this paper we consider the effects of the isotopic composition of the primary galactic cosmic rays (GCR), nuclear fragmentation cross-sections, and isotopic-grid on the solution to transport models used for shielding studies. Satellite measurements are used to describe the isotopic composition of the GCR. For the nuclear interaction data-base and transport solution, we use the quantum multiple-scattering theory of nuclear fragmentation (QMSFRG) and high-charge and energy (HZETRN) transport code, respectively. The QMSFRG model is shown to accurately describe existing fragmentation data including proper description of the odd-even effects as function of the iso-spin dependence on the projectile nucleus. The principle finding of this study is that large errors (+/-100%) will occur in the mass-fluence spectra when comparing transport models that use a complete isotopic-grid (approx.170 ions) to ones that use a reduced isotopic-grid, for example the 59 ion-grid used in the HZETRN code in the past, however less significant errors (<+/-20%) occur in the elemental-fluence spectra. Because a complete isotopic-grid is readily handled on small computer workstations and is needed for several applications studying GCR propagation and scattering, it is recommended that they be used for future GCR studies.

Testing density-dependent groundwater models: Two-dimensional steady state unstable convection in infinite, finite and inclined porous layers

USGS Publications Warehouse

Weatherill, D.; Simmons, C.T.; Voss, C.I.; Robinson, N.I.

2004-01-01

This study proposes the use of several problems of unstable steady state convection with variable fluid density in a porous layer of infinite horizontal extent as two-dimensional (2-D) test cases for density-dependent groundwater flow and solute transport simulators. Unlike existing density-dependent model benchmarks, these problems have well-defined stability criteria that are determined analytically. These analytical stability indicators can be compared with numerical model results to test the ability of a code to accurately simulate buoyancy driven flow and diffusion. The basic analytical solution is for a horizontally infinite fluid-filled porous layer in which fluid density decreases with depth. The proposed test problems include unstable convection in an infinite horizontal box, in a finite horizontal box, and in an infinite inclined box. A dimensionless Rayleigh number incorporating properties of the fluid and the porous media determines the stability of the layer in each case. Testing the ability of numerical codes to match both the critical Rayleigh number at which convection occurs and the wavelength of convection cells is an addition to the benchmark problems currently in use. The proposed test problems are modelled in 2-D using the SUTRA [SUTRA-A model for saturated-unsaturated variable-density ground-water flow with solute or energy transport. US Geological Survey Water-Resources Investigations Report, 02-4231, 2002. 250 p] density-dependent groundwater flow and solute transport code. For the case of an infinite horizontal box, SUTRA results show a distinct change from stable to unstable behaviour around the theoretical critical Rayleigh number of 4??2 and the simulated wavelength of unstable convection agrees with that predicted by the analytical solution. The effects of finite layer aspect ratio and inclination on stability indicators are also tested and numerical results are in excellent agreement with theoretical stability criteria and with numerical results previously reported in traditional fluid mechanics literature. ?? 2004 Elsevier Ltd. All rights reserved.

Statistical Analysis of the AIAA Drag Prediction Workshop CFD Solutions

NASA Technical Reports Server (NTRS)

Morrison, Joseph H.; Hemsch, Michael J.

2007-01-01

The first AIAA Drag Prediction Workshop (DPW), held in June 2001, evaluated the results from an extensive N-version test of a collection of Reynolds-Averaged Navier-Stokes CFD codes. The code-to-code scatter was more than an order of magnitude larger than desired for design and experimental validation of cruise conditions for a subsonic transport configuration. The second AIAA Drag Prediction Workshop, held in June 2003, emphasized the determination of installed pylon-nacelle drag increments and grid refinement studies. The code-to-code scatter was significantly reduced compared to the first DPW, but still larger than desired. However, grid refinement studies showed no significant improvement in code-to-code scatter with increasing grid refinement. The third AIAA Drag Prediction Workshop, held in June 2006, focused on the determination of installed side-of-body fairing drag increments and grid refinement studies for clean attached flow on wing alone configurations and for separated flow on the DLR-F6 subsonic transport model. This report compares the transonic cruise prediction results of the second and third workshops using statistical analysis.

Remanent Activation in the Mini-SHINE Experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Micklich, Bradley J.

2015-04-16

Argonne National Laboratory is assisting SHINE Medical Technologies in developing a domestic source of the medical isotope 99Mo through the fission of low-enrichment uranium in a uranyl sulfate solution. In Phase 2 of these experiments, electrons from a linear accelerator create neutrons by interacting in a depleted uranium target, and these neutrons are used to irradiate the solution. The resulting neutron and photon radiation activates the target, the solution vessels, and a shielded cell that surrounds the experimental apparatus. When the experimental campaign is complete, the target must be removed into a shielding cask, and the experimental components must bemore » disassembled. The radiation transport code MCNPX and the transmutation code CINDER were used to calculate the radionuclide inventories of the solution, the target assembly, and the shielded cell, and to determine the dose rates and shielding requirements for selected removal scenarios for the target assembly and the solution vessels.« less

EBR-II Static Neutronic Calculations by PHISICS / MCNP6 codes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paolo Balestra; Carlo Parisi; Andrea Alfonsi

2016-02-01

The International Atomic Energy Agency (IAEA) launched a Coordinated Research Project (CRP) on the Shutdown Heat Removal Tests (SHRT) performed in the '80s at the Experimental fast Breeder Reactor EBR-II, USA. The scope of the CRP is to improve and validate the simulation tools for the study and the design of the liquid metal cooled fast reactors. Moreover, training of the next generation of fast reactor analysts is being also considered the other scope of the CRP. In this framework, a static neutronic model was developed, using state-of-the art neutron transport codes like SCALE/PHISICS (deterministic solution) and MCNP6 (stochastic solution).more » Comparison between both solutions is briefly illustrated in this summary.« less

PFLOTRAN Verification: Development of a Testing Suite to Ensure Software Quality

NASA Astrophysics Data System (ADS)

Hammond, G. E.; Frederick, J. M.

2016-12-01

In scientific computing, code verification ensures the reliability and numerical accuracy of a model simulation by comparing the simulation results to experimental data or known analytical solutions. The model is typically defined by a set of partial differential equations with initial and boundary conditions, and verification ensures whether the mathematical model is solved correctly by the software. Code verification is especially important if the software is used to model high-consequence systems which cannot be physically tested in a fully representative environment [Oberkampf and Trucano (2007)]. Justified confidence in a particular computational tool requires clarity in the exercised physics and transparency in its verification process with proper documentation. We present a quality assurance (QA) testing suite developed by Sandia National Laboratories that performs code verification for PFLOTRAN, an open source, massively-parallel subsurface simulator. PFLOTRAN solves systems of generally nonlinear partial differential equations describing multiphase, multicomponent and multiscale reactive flow and transport processes in porous media. PFLOTRAN's QA test suite compares the numerical solutions of benchmark problems in heat and mass transport against known, closed-form, analytical solutions, including documentation of the exercised physical process models implemented in each PFLOTRAN benchmark simulation. The QA test suite development strives to follow the recommendations given by Oberkampf and Trucano (2007), which describes four essential elements in high-quality verification benchmark construction: (1) conceptual description, (2) mathematical description, (3) accuracy assessment, and (4) additional documentation and user information. Several QA tests within the suite will be presented, including details of the benchmark problems and their closed-form analytical solutions, implementation of benchmark problems in PFLOTRAN simulations, and the criteria used to assess PFLOTRAN's performance in the code verification procedure. References Oberkampf, W. L., and T. G. Trucano (2007), Verification and Validation Benchmarks, SAND2007-0853, 67 pgs., Sandia National Laboratories, Albuquerque, NM.

SEAWAT-based simulation of axisymmetric heat transport.

PubMed

Vandenbohede, Alexander; Louwyck, Andy; Vlamynck, Nele

2014-01-01

Simulation of heat transport has its applications in geothermal exploitation of aquifers and the analysis of temperature dependent chemical reactions. Under homogeneous conditions and in the absence of a regional hydraulic gradient, groundwater flow and heat transport from or to a well exhibit radial symmetry, and governing equations are reduced by one dimension (1D) which increases computational efficiency importantly. Solute transport codes can simulate heat transport and input parameters may be modified such that the Cartesian geometry can handle radial flow. In this article, SEAWAT is evaluated as simulator for heat transport under radial flow conditions. The 1971, 1D analytical solution of Gelhar and Collins is used to compare axisymmetric transport with retardation (i.e., as a result of thermal equilibrium between fluid and solid) and a large diffusion (conduction). It is shown that an axisymmetric simulation compares well with a fully three dimensional (3D) simulation of an aquifer thermal energy storage systems. The influence of grid discretization, solver parameters, and advection solution is illustrated. Because of the high diffusion to simulate conduction, convergence criterion for heat transport must be set much smaller (10(-10) ) than for solute transport (10(-6) ). Grid discretization should be considered carefully, in particular the subdivision of the screen interval. On the other hand, different methods to calculate the pumping or injection rate distribution over different nodes of a multilayer well lead to small differences only. © 2013, National Ground Water Association.

Application of a Java-based, univel geometry, neutral particle Monte Carlo code to the searchlight problem

DOE Office of Scientific and Technical Information (OSTI.GOV)

Charles A. Wemple; Joshua J. Cogliati

2005-04-01

A univel geometry, neutral particle Monte Carlo transport code, written entirely in the Java programming language, is under development for medical radiotherapy applications. The code uses ENDF-VI based continuous energy cross section data in a flexible XML format. Full neutron-photon coupling, including detailed photon production and photonuclear reactions, is included. Charged particle equilibrium is assumed within the patient model so that detailed transport of electrons produced by photon interactions may be neglected. External beam and internal distributed source descriptions for mixed neutron-photon sources are allowed. Flux and dose tallies are performed on a univel basis. A four-tap, shift-register-sequence random numbermore » generator is used. Initial verification and validation testing of the basic neutron transport routines is underway. The searchlight problem was chosen as a suitable first application because of the simplicity of the physical model. Results show excellent agreement with analytic solutions. Computation times for similar numbers of histories are comparable to other neutron MC codes written in C and FORTRAN.« less

Generic reactive transport codes as flexible tools to integrate soil organic matter degradation models with water, transport and geochemistry in soils

NASA Astrophysics Data System (ADS)

Jacques, Diederik; Gérard, Fréderic; Mayer, Uli; Simunek, Jirka; Leterme, Bertrand

2016-04-01

A large number of organic matter degradation, CO2 transport and dissolved organic matter models have been developed during the last decades. However, organic matter degradation models are in many cases strictly hard-coded in terms of organic pools, degradation kinetics and dependency on environmental variables. The scientific input of the model user is typically limited to the adjustment of input parameters. In addition, the coupling with geochemical soil processes including aqueous speciation, pH-dependent sorption and colloid-facilitated transport are not incorporated in many of these models, strongly limiting the scope of their application. Furthermore, the most comprehensive organic matter degradation models are combined with simplified representations of flow and transport processes in the soil system. We illustrate the capability of generic reactive transport codes to overcome these shortcomings. The formulations of reactive transport codes include a physics-based continuum representation of flow and transport processes, while biogeochemical reactions can be described as equilibrium processes constrained by thermodynamic principles and/or kinetic reaction networks. The flexibility of these type of codes allows for straight-forward extension of reaction networks, permits the inclusion of new model components (e.g.: organic matter pools, rate equations, parameter dependency on environmental conditions) and in such a way facilitates an application-tailored implementation of organic matter degradation models and related processes. A numerical benchmark involving two reactive transport codes (HPx and MIN3P) demonstrates how the process-based simulation of transient variably saturated water flow (Richards equation), solute transport (advection-dispersion equation), heat transfer and diffusion in the gas phase can be combined with a flexible implementation of a soil organic matter degradation model. The benchmark includes the production of leachable organic matter and inorganic carbon in the aqueous and gaseous phases, as well as different decomposition functions with first-order, linear dependence or nonlinear dependence on a biomass pool. In addition, we show how processes such as local bioturbation (bio-diffusion) can be included implicitly through a Fickian formulation of transport of soil organic matter. Coupling soil organic matter models with generic and flexible reactive transport codes offers a valuable tool to enhance insights into coupled physico-chemical processes at different scales within the scope of C-biogeochemical cycles, possibly linked with other chemical elements such as plant nutrients and pollutants.

A new code for modelling the near field diffusion releases from the final disposal of nuclear waste

NASA Astrophysics Data System (ADS)

Vopálka, D.; Vokál, A.

2003-01-01

The canisters with spent nuclear fuel produced during the operation of WWER reactors at the Czech power plants are planned, like in other countries, to be disposed of in an underground repository. Canisters will be surrounded by compacted bentonite that will retard the migration of safety-relevant radionuclides into the host rock. A new code that enables the modelling of the critical radionuclides transport from the canister through the bentonite layer in the cylindrical geometry was developed. The code enables to solve the diffusion equation for various types of initial and boundary conditions by means of the finite difference method and to take into account the non-linear shape of the sorption isotherm. A comparison of the code reported here with code PAGODA, which is based on analytical solution of the transport equation, was made for the actinide chain 4N+3 that includes 239Pu. A simple parametric study of the releases of 239Pu, 129I, and 14C into geosphere is discussed.

Neoclassical transport including collisional nonlinearity.

PubMed

Candy, J; Belli, E A

2011-06-10

In the standard δf theory of neoclassical transport, the zeroth-order (Maxwellian) solution is obtained analytically via the solution of a nonlinear equation. The first-order correction δf is subsequently computed as the solution of a linear, inhomogeneous equation that includes the linearized Fokker-Planck collision operator. This equation admits analytic solutions only in extreme asymptotic limits (banana, plateau, Pfirsch-Schlüter), and so must be solved numerically for realistic plasma parameters. Recently, numerical codes have appeared which attempt to compute the total distribution f more accurately than in the standard ordering by retaining some nonlinear terms related to finite-orbit width, while simultaneously reusing some form of the linearized collision operator. In this work we show that higher-order corrections to the distribution function may be unphysical if collisional nonlinearities are ignored.

Hybrid parallel code acceleration methods in full-core reactor physics calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Courau, T.; Plagne, L.; Ponicot, A.

2012-07-01

When dealing with nuclear reactor calculation schemes, the need for three dimensional (3D) transport-based reference solutions is essential for both validation and optimization purposes. Considering a benchmark problem, this work investigates the potential of discrete ordinates (Sn) transport methods applied to 3D pressurized water reactor (PWR) full-core calculations. First, the benchmark problem is described. It involves a pin-by-pin description of a 3D PWR first core, and uses a 8-group cross-section library prepared with the DRAGON cell code. Then, a convergence analysis is performed using the PENTRAN parallel Sn Cartesian code. It discusses the spatial refinement and the associated angular quadraturemore » required to properly describe the problem physics. It also shows that initializing the Sn solution with the EDF SPN solver COCAGNE reduces the number of iterations required to converge by nearly a factor of 6. Using a best estimate model, PENTRAN results are then compared to multigroup Monte Carlo results obtained with the MCNP5 code. Good consistency is observed between the two methods (Sn and Monte Carlo), with discrepancies that are less than 25 pcm for the k{sub eff}, and less than 2.1% and 1.6% for the flux at the pin-cell level and for the pin-power distribution, respectively. (authors)« less

A compartmentalized solute transport model for redox zones in contaminated aquifers: 1. Theory and development

USGS Publications Warehouse

Abrams , Robert H.; Loague, Keith

2000-01-01

This paper, the first of two parts [see Abrams and Loague, this issue], takes the compartmentalized approach for the geochemical evolution of redox zones presented by Abrams et al. [1998] and embeds it within a solute transport framework. In this paper the compartmentalized approach is generalized to facilitate the description of its incorporation into a solute transport simulator. An equivalent formulation is developed which removes any discontinuities that may occur when switching compartments. Rate‐limited redox reactions are modeled with a modified Monod relationship that allows either the organic substrate or the electron acceptor to be the rate‐limiting reactant. Thermodynamic constraints are used to inhibit lower‐energy redox reactions from occurring under infeasible geochemical conditions without imposing equilibrium on the lower‐energy reactions. The procedure used allows any redox reaction to be simulated as being kinetically limited or thermodynamically limited, depending on local geochemical conditions. Empirical reaction inhibition methods are not needed. The sequential iteration approach (SIA), a technique which allows the number of solute transport equations to be reduced, is adopted to solve the coupled geochemical/solute transport problem. When the compartmentalized approach is embedded within the SIA, with the total analytical concentration of each component as the dependent variable in the transport equation, it is possible to reduce the number of transport equations even further than with the unmodified SIA. A one‐dimensional, coupled geochemical/solute transport simulation is presented in which redox zones evolve dynamically in time and space. The compartmentalized solute transport (COMPTRAN) model described in this paper enables the development of redox zones to be simulated under both kinetic and thermodynamic constraints. The modular design of COMPTRAN facilitates the use of many different, preexisting solute transport and geochemical codes. The companion paper [Abrams and Loague, this issue] presents examples of the application of COMPTRAN to field‐scale problems.

GOMA 6.0 :

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schunk, Peter Randall; Rao, Rekha Ranjana; Chen, Ken S

Goma 6.0 is a finite element program which excels in analyses of multiphysical processes, particularly those involving the major branches of mechanics (viz. fluid/solid mechanics, energy transport and chemical species transport). Goma is based on a full-Newton-coupled algorithm which allows for simultaneous solution of the governing principles, making the code ideally suited for problems involving closely coupled bulk mechanics and interfacial phenomena. Example applications include, but are not limited to, coating and polymer processing flows, super-alloy processing, welding/soldering, electrochemical processes, and solid-network or solution film drying. This document serves as a users guide and reference.

Geothermal reservoir simulation

NASA Technical Reports Server (NTRS)

Mercer, J. W., Jr.; Faust, C.; Pinder, G. F.

1974-01-01

The prediction of long-term geothermal reservoir performance and the environmental impact of exploiting this resource are two important problems associated with the utilization of geothermal energy for power production. Our research effort addresses these problems through numerical simulation. Computer codes based on the solution of partial-differential equations using finite-element techniques are being prepared to simulate multiphase energy transport, energy transport in fractured porous reservoirs, well bore phenomena, and subsidence.

Manufactured solutions for the three-dimensional Euler equations with relevance to Inertial Confinement Fusion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Waltz, J., E-mail: jwaltz@lanl.gov; Canfield, T.R.; Morgan, N.R.

2014-06-15

We present a set of manufactured solutions for the three-dimensional (3D) Euler equations. The purpose of these solutions is to allow for code verification against true 3D flows with physical relevance, as opposed to 3D simulations of lower-dimensional problems or manufactured solutions that lack physical relevance. Of particular interest are solutions with relevance to Inertial Confinement Fusion (ICF) capsules. While ICF capsules are designed for spherical symmetry, they are hypothesized to become highly 3D at late time due to phenomena such as Rayleigh–Taylor instability, drive asymmetry, and vortex decay. ICF capsules also involve highly nonlinear coupling between the fluid dynamicsmore » and other physics, such as radiation transport and thermonuclear fusion. The manufactured solutions we present are specifically designed to test the terms and couplings in the Euler equations that are relevant to these phenomena. Example numerical results generated with a 3D Finite Element hydrodynamics code are presented, including mesh convergence studies.« less

Code System for Performance Assessment Ground-water Analysis for Low-level Nuclear Waste.

DOE Office of Scientific and Technical Information (OSTI.GOV)

MATTHEW,; KOZAK, W.

1994-02-09

Version 00 The PAGAN code system is a part of the performance assessment methodology developed for use by the U. S. Nuclear Regulatory Commission in evaluating license applications for low-level waste disposal facilities. In this methodology, PAGAN is used as one candidate approach for analysis of the ground-water pathway. PAGAN, Version 1.1 has the capability to model the source term, vadose-zone transport, and aquifer transport of radionuclides from a waste disposal unit. It combines the two codes SURFACE and DISPERSE which are used as semi-analytical solutions to the convective-dispersion equation. This system uses menu driven input/out for implementing a simplemore » ground-water transport analysis and incorporates statistical uncertainty functions for handling data uncertainties. The output from PAGAN includes a time- and location-dependent radionuclide concentration at a well in the aquifer, or a time- and location-dependent radionuclide flux into a surface-water body.« less

Data Parallel Line Relaxation (DPLR) Code User Manual: Acadia - Version 4.01.1

NASA Technical Reports Server (NTRS)

Wright, Michael J.; White, Todd; Mangini, Nancy

2009-01-01

Data-Parallel Line Relaxation (DPLR) code is a computational fluid dynamic (CFD) solver that was developed at NASA Ames Research Center to help mission support teams generate high-value predictive solutions for hypersonic flow field problems. The DPLR Code Package is an MPI-based, parallel, full three-dimensional Navier-Stokes CFD solver with generalized models for finite-rate reaction kinetics, thermal and chemical non-equilibrium, accurate high-temperature transport coefficients, and ionized flow physics incorporated into the code. DPLR also includes a large selection of generalized realistic surface boundary conditions and links to enable loose coupling with external thermal protection system (TPS) material response and shock layer radiation codes.

Intercomparison of 3D pore-scale flow and solute transport simulation methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Xiaofan; Mehmani, Yashar; Perkins, William A.

2016-09-01

Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include methods that 1) explicitly model the three-dimensional geometry of pore spaces and 2) those that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of class 1, based on direct numerical simulation using computational fluid dynamics (CFD) codes, against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of class 1 based on the immersed-boundary method (IMB),more » lattice Boltzmann method (LBM), smoothed particle hydrodynamics (SPH), as well as a model of class 2 (a pore-network model or PNM). The PNM approach used in the current study was recently improved and demonstrated to accurately simulate solute transport in a two-dimensional experiment. While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries on solute transport in the manner of PNMs has not been fully determined. We apply all four approaches (CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and nonreactive solute transport, and intercompare the model results with previously reported experimental observations. Experimental observations are limited to measured pore-scale velocities, so solute transport comparisons are made only among the various models. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations).« less

A Non Local Electron Heat Transport Model for Multi-Dimensional Fluid Codes

NASA Astrophysics Data System (ADS)

Schurtz, Guy

2000-10-01

Apparent inhibition of thermal heat flow is one of the most ancient problems in computational Inertial Fusion and flux-limited Spitzer-Harm conduction has been a mainstay in multi-dimensional hydrodynamic codes for more than 25 years. Theoretical investigation of the problem indicates that heat transport in laser produced plasmas has to be considered as a non local process. Various authors contributed to the non local theory and proposed convolution formulas designed for practical implementation in one-dimensional fluid codes. Though the theory, confirmed by kinetic calculations, actually predicts a reduced heat flux, it fails to explain the very small limiters required in two-dimensional simulations. Fokker-Planck simulations by Epperlein, Rickard and Bell [PRL 61, 2453 (1988)] demonstrated that non local effects could lead to a strong reduction of heat flow in two dimensions, even in situations where a one-dimensional analysis suggests that the heat flow is nearly classical. We developed at CEA/DAM a non local electron heat transport model suitable for implementation in our two-dimensional radiation hydrodynamic code FCI2. This model may be envisionned as the first step of an iterative solution of the Fokker-Planck equations; it takes the mathematical form of multigroup diffusion equations, the solution of which yields both the heat flux and the departure of the electron distribution function to the Maxwellian. Although direct implementation of the model is straightforward, formal solutions of it can be expressed in convolution form, exhibiting a three-dimensional tensor propagator. Reduction to one dimension retrieves the original formula of Luciani, Mora and Virmont [PRL 51, 1664 (1983)]. Intense magnetic fields may be generated by thermal effects in laser targets; these fields, as well as non local effects, will inhibit electron conduction. We present simulations where both effects are taken into account and shortly discuss the coupling strategy between them.

An Implicit Finite Difference Solution to the Viscous Radiating Shock Layer with Strong Blowing. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Garrett, L. B.

1971-01-01

An implicit finite difference scheme is developed for the fully coupled solution of the viscous radiating stagnation line equations, including strong blowing. Solutions are presented for both air injection and carbon phenolic ablation products injection into air at conditions near the peak radiative heating point in an earth entry trajectory from interplanetary return missions. A detailed radiative transport code that accounts for the important radiative exchange processes for gaseous mixtures in local thermodynamic and chemical equilibrium is utilized.

The grout/glass performance assessment code system (GPACS) with verification and benchmarking

DOE Office of Scientific and Technical Information (OSTI.GOV)

Piepho, M.G.; Sutherland, W.H.; Rittmann, P.D.

1994-12-01

GPACS is a computer code system for calculating water flow (unsaturated or saturated), solute transport, and human doses due to the slow release of contaminants from a waste form (in particular grout or glass) through an engineered system and through a vadose zone to an aquifer, well and river. This dual-purpose document is intended to serve as a user`s guide and verification/benchmark document for the Grout/Glass Performance Assessment Code system (GPACS). GPACS can be used for low-level-waste (LLW) Glass Performance Assessment and many other applications including other low-level-waste performance assessments and risk assessments. Based on all the cses presented, GPACSmore » is adequate (verified) for calculating water flow and contaminant transport in unsaturated-zone sediments and for calculating human doses via the groundwater pathway.« less

Coupled Neutron Transport for HZETRN

NASA Technical Reports Server (NTRS)

Slaba, Tony C.; Blattnig, Steve R.

2009-01-01

Exposure estimates inside space vehicles, surface habitats, and high altitude aircrafts exposed to space radiation are highly influenced by secondary neutron production. The deterministic transport code HZETRN has been identified as a reliable and efficient tool for such studies, but improvements to the underlying transport models and numerical methods are still necessary. In this paper, the forward-backward (FB) and directionally coupled forward-backward (DC) neutron transport models are derived, numerical methods for the FB model are reviewed, and a computationally efficient numerical solution is presented for the DC model. Both models are compared to the Monte Carlo codes HETC-HEDS, FLUKA, and MCNPX, and the DC model is shown to agree closely with the Monte Carlo results. Finally, it is found in the development of either model that the decoupling of low energy neutrons from the light particle transport procedure adversely affects low energy light ion fluence spectra and exposure quantities. A first order correction is presented to resolve the problem, and it is shown to be both accurate and efficient.

Numerical modeling of pollutant transport using a Lagrangian marker particle technique

NASA Technical Reports Server (NTRS)

Spaulding, M.

1976-01-01

A derivation and code were developed for the three-dimensional mass transport equation, using a particle-in-cell solution technique, to solve coastal zone waste discharge problems where particles are a major component of the waste. Improvements in the particle movement techniques are suggested and typical examples illustrated. Preliminary model comparisons with analytic solutions for an instantaneous point release in a uniform flow show good results in resolving the waste motion. The findings to date indicate that this computational model will provide a useful technique to study the motion of sediment, dredged spoils, and other particulate waste commonly deposited in coastal waters.

Spherical harmonic results for the 3D Kobayashi Benchmark suite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, P N; Chang, B; Hanebutte, U R

1999-03-02

Spherical harmonic solutions are presented for the Kobayashi benchmark suite. The results were obtained with Ardra, a scalable, parallel neutron transport code developed at Lawrence Livermore National Laboratory (LLNL). The calculations were performed on the IBM ASCI Blue-Pacific computer at LLNL.

P1 Nonconforming Finite Element Method for the Solution of Radiation Transport Problems

NASA Technical Reports Server (NTRS)

Kang, Kab S.

2002-01-01

The simulation of radiation transport in the optically thick flux-limited diffusion regime has been identified as one of the most time-consuming tasks within large simulation codes. Due to multimaterial complex geometry, the radiation transport system must often be solved on unstructured grids. In this paper, we investigate the behavior and the benefits of the unstructured P(sub 1) nonconforming finite element method, which has proven to be flexible and effective on related transport problems, in solving unsteady implicit nonlinear radiation diffusion problems using Newton and Picard linearization methods. Key words. nonconforrning finite elements, radiation transport, inexact Newton linearization, multigrid preconditioning

Numerical Studies of Impurities in Fusion Plasmas

DOE R&D Accomplishments Database

Hulse, R. A.

1982-09-01

The coupled partial differential equations used to describe the behavior of impurity ions in magnetically confined controlled fusion plasmas require numerical solution for cases of practical interest. Computer codes developed for impurity modeling at the Princeton Plasma Physics Laboratory are used as examples of the types of codes employed for this purpose. These codes solve for the impurity ionization state densities and associated radiation rates using atomic physics appropriate for these low-density, high-temperature plasmas. The simpler codes solve local equations in zero spatial dimensions while more complex cases require codes which explicitly include transport of the impurity ions simultaneously with the atomic processes of ionization and recombination. Typical applications are discussed and computational results are presented for selected cases of interest.

Neutron Transport Models and Methods for HZETRN and Coupling to Low Energy Light Ion Transport

NASA Technical Reports Server (NTRS)

Blattnig, S.R.; Slaba, T.C.; Heinbockel, J.H.

2008-01-01

Exposure estimates inside space vehicles, surface habitats, and high altitude aircraft exposed to space radiation are highly influenced by secondary neutron production. The deterministic transport code HZETRN has been identified as a reliable and efficient tool for such studies, but improvements to the underlying transport models and numerical methods are still necessary. In this paper, the forward-backward (FB) and directionally coupled forward-backward (DC) neutron transport models are derived, numerical methods for the FB model are reviewed, and a computationally efficient numerical solution is presented for the DC model. Both models are compared to the Monte Carlo codes HETCHEDS and FLUKA, and the DC model is shown to agree closely with the Monte Carlo results. Finally, it is found in the development of either model that the decoupling of low energy neutrons from the light ion (A<4) transport procedure adversely affects low energy light ion fluence spectra and exposure quantities. A first order correction is presented to resolve the problem, and it is shown to be both accurate and efficient.

Fuego/Scefire MPMD Coupling L2 Milestone Executive Summary

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pierce, Flint; Tencer, John; Pautz, Shawn D.

2017-09-01

This milestone campaign was focused on coupling Sandia physics codes SIERRA low Mach module Fuego and RAMSES Boltzmann transport code Sceptre(Scefire). Fuego enables simulation of low Mach, turbulent, reacting, particle laden flows on unstructured meshes using CVFEM for abnormal thermal environments throughout SNL and the larger national security community. Sceptre provides simulation for photon, neutron, and charged particle transport on unstructured meshes using Discontinuous Galerkin for radiation effects calculations at SNL and elsewhere. Coupling these ”best of breed” codes enables efficient modeling of thermal/fluid environments with radiation transport, including fires (pool, propellant, composite) as well as those with directed radiantmore » fluxes. We seek to improve the experience of Fuego users who require radiation transport capabilities in two ways. The first is performance. We achieve this through leveraging additional computational resources for Scefire, reducing calculation times while leaving unaffected resources for fluid physics. This approach is new to Fuego, which previously utilized the same resources for both fluid and radiation solutions. The second improvement enables new radiation capabilities, including spectral (banded) radiation, beam boundary sources, and alternate radiation solvers (i.e. Pn). This summary provides an overview of these achievements.« less

Interface requirements to couple thermal-hydraulic codes to severe accident codes: ATHLET-CD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trambauer, K.

1997-07-01

The system code ATHLET-CD is being developed by GRS in cooperation with IKE and IPSN. Its field of application comprises the whole spectrum of leaks and large breaks, as well as operational and abnormal transients for LWRs and VVERs. At present the analyses cover the in-vessel thermal-hydraulics, the early phases of core degradation, as well as fission products and aerosol release from the core and their transport in the Reactor Coolant System. The aim of the code development is to extend the simulation of core degradation up to failure of the reactor pressure vessel and to cover all physically reasonablemore » accident sequences for western and eastern LWRs including RMBKs. The ATHLET-CD structure is highly modular in order to include a manifold spectrum of models and to offer an optimum basis for further development. The code consists of four general modules to describe the reactor coolant system thermal-hydraulics, the core degradation, the fission product core release, and fission product and aerosol transport. Each general module consists of some basic modules which correspond to the process to be simulated or to its specific purpose. Besides the code structure based on the physical modelling, the code follows four strictly separated steps during the course of a calculation: (1) input of structure, geometrical data, initial and boundary condition, (2) initialization of derived quantities, (3) steady state calculation or input of restart data, and (4) transient calculation. In this paper, the transient solution method is briefly presented and the coupling methods are discussed. Three aspects have to be considered for the coupling of different modules in one code system. First is the conservation of masses and energy in the different subsystems as there are fluid, structures, and fission products and aerosols. Second is the convergence of the numerical solution and stability of the calculation. The third aspect is related to the code performance, and running time.« less

Path Toward a Unified Geometry for Radiation Transport

NASA Astrophysics Data System (ADS)

Lee, Kerry

The Direct Accelerated Geometry for Radiation Analysis and Design (DAGRAD) element of the RadWorks Project under Advanced Exploration Systems (AES) within the Space Technology Mission Directorate (STMD) of NASA will enable new designs and concepts of operation for radiation risk assessment, mitigation and protection. This element is designed to produce a solution that will allow NASA to calculate the transport of space radiation through complex CAD models using the state-of-the-art analytic and Monte Carlo radiation transport codes. Due to the inherent hazard of astronaut and spacecraft exposure to ionizing radiation in low-Earth orbit (LEO) or in deep space, risk analyses must be performed for all crew vehicles and habitats. Incorporating these analyses into the design process can minimize the mass needed solely for radiation protection. Transport of the radiation fields as they pass through shielding and body materials can be simulated using Monte Carlo techniques or described by the Boltzmann equation, which is obtained by balancing changes in particle fluxes as they traverse a small volume of material with the gains and losses caused by atomic and nuclear collisions. Deterministic codes that solve the Boltzmann transport equation, such as HZETRN (high charge and energy transport code developed by NASA LaRC), are generally computationally faster than Monte Carlo codes such as FLUKA, GEANT4, MCNP(X) or PHITS; however, they are currently limited to transport in one dimension, which poorly represents the secondary light ion and neutron radiation fields. NASA currently uses HZETRN space radiation transport software, both because it is computationally efficient and because proven methods have been developed for using this software to analyze complex geometries. Although Monte Carlo codes describe the relevant physics in a fully three-dimensional manner, their computational costs have thus far prevented their widespread use for analysis of complex CAD models, leading to the creation and maintenance of toolkit specific simplistic geometry models. The work presented here builds on the Direct Accelerated Geometry Monte Carlo (DAGMC) toolkit developed for use with the Monte Carlo N-Particle (MCNP) transport code. The work-flow for doing radiation transport on CAD models using MCNP and FLUKA has been demonstrated and the results of analyses on realistic spacecraft/habitats will be presented. Future work is planned that will further automate this process and enable the use of multiple radiation transport codes on identical geometry models imported from CAD. This effort will enhance the modeling tools used by NASA to accurately evaluate the astronaut space radiation risk and accurately determine the protection provided by as-designed exploration mission vehicles and habitats.

Acceleration of Monte Carlo simulation of photon migration in complex heterogeneous media using Intel many-integrated core architecture.

PubMed

Gorshkov, Anton V; Kirillin, Mikhail Yu

2015-08-01

Over two decades, the Monte Carlo technique has become a gold standard in simulation of light propagation in turbid media, including biotissues. Technological solutions provide further advances of this technique. The Intel Xeon Phi coprocessor is a new type of accelerator for highly parallel general purpose computing, which allows execution of a wide range of applications without substantial code modification. We present a technical approach of porting our previously developed Monte Carlo (MC) code for simulation of light transport in tissues to the Intel Xeon Phi coprocessor. We show that employing the accelerator allows reducing computational time of MC simulation and obtaining simulation speed-up comparable to GPU. We demonstrate the performance of the developed code for simulation of light transport in the human head and determination of the measurement volume in near-infrared spectroscopy brain sensing.

The EGS4 Code System: Solution of Gamma-ray and Electron Transport Problems

DOE R&D Accomplishments Database

Nelson, W. R.; Namito, Yoshihito

1990-03-01

In this paper we present an overview of the EGS4 Code System -- a general purpose package for the Monte Carlo simulation of the transport of electrons and photons. During the last 10-15 years EGS has been widely used to design accelerators and detectors for high-energy physics. More recently the code has been found to be of tremendous use in medical radiation physics and dosimetry. The problem-solving capabilities of EGS4 will be demonstrated by means of a variety of practical examples. To facilitate this review, we will take advantage of a new add-on package, called SHOWGRAF, to display particle trajectories in complicated geometries. These are shown as 2-D laser pictures in the written paper and as photographic slides of a 3-D high-resolution color monitor during the oral presentation. 11 refs., 15 figs.

Diffusion Dominant Solute Transport Modelling in Fractured Media Under Deep Geological Environment - 12211

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kwong, S.; Jivkov, A.P.

2012-07-01

Deep geologic disposal of high activity and long-lived radioactive waste is gaining increasing support in many countries, where suitable low permeability geological formation in combination with engineered barriers are used to provide long term waste contaminant and minimise the impacts to the environment and risk to the biosphere. This modelling study examines the solute transport in fractured media under low flow velocities that are relevant to a deep geological environment. In particular, reactive solute transport through fractured media is studied using a 2-D model, that considers advection and diffusion, to explore the coupled effects of kinetic and equilibrium chemical processes.more » The effects of water velocity in the fracture, matrix porosity and diffusion on solute transport are investigated and discussed. Some illustrative modelled results are presented to demonstrate the use of the model to examine the effects of media degradation on solute transport, under the influences of hydrogeological (diffusion dominant) and microbially mediated chemical processes. The challenges facing the prediction of long term degradation such as cracks evolution, interaction and coalescence are highlighted. The potential of a novel microstructure informed modelling approach to account for these effects is discussed, particularly with respect to investigating multiple phenomena impact on material performance. The GRM code is used to examine the effects of media degradation for a geological waste disposal package, under the combined hydrogeological (diffusion dominant) and chemical effects in low groundwater flow conditions that are typical of deep geological disposal systems. An illustrative reactive transport modelling application demonstrates the use of the code to examine the interplay of kinetic controlled biogeochemical reactive processes with advective and diffusive transport, under the influence of media degradation. The initial model results are encouraging which show the disposal system to evolve in a physically realistic manner. In the example presented the reactive-transport coupling develops chemically reducing zones, which limit the transport of uranium. This illustrates the potential significance of media degradation and chemical effect on the transport of radionuclides which would need to be taken into account when examining the long-term behaviour and containment properties of the geological disposal system. Microstructure-informed modelling and its potential linkage with continuum flow modelling is a subject of ongoing studies. The approach of microstructure-informed modelling is discussed to provide insight and a mechanistic understanding of macroscopic parameters and their evolution. The proposed theoretical and methodological basis for microstructure-informed modelling of porous quasi-brittle media has the potential to develop into an explanatory and predictive tool for deriving mechanism-based, as opposed to phenomenological, evolution laws for macroscopic properties. These concepts in micro-scale modelling are likely to be applicable to the diffusion process, in addition to advective transport illustrated here for porous media. (authors)« less

Adapting HYDRUS-1D to Simulate Overland Flow and Reactive Transport During Sheet Flow Deviations

NASA Astrophysics Data System (ADS)

Liang, J.; Bradford, S. A.; Simunek, J.; Hartmann, A.

2017-12-01

The HYDRUS-1D code is a popular numerical model for solving the Richards equation for variably-saturated water flow and solute transport in porous media. This code was adapted to solve rather than the Richards equation for subsurface flow the diffusion wave equation for overland flow at the soil surface. The numerical results obtained by the new model produced an excellent agreement with the analytical solution of the kinematic wave equation. Model tests demonstrated its applicability to simulate the transport and fate of many different solutes, such as non-adsorbing tracers, nutrients, pesticides, and microbes. However, the diffusion wave or kinematic wave equations describe surface runoff as sheet flow with a uniform depth and velocity across the slope. In reality, overland water flow and transport processes are rarely uniform. Local soil topography, vegetation, and spatial soil heterogeneity control directions and magnitudes of water fluxes, and strongly influence runoff characteristics. There is increasing evidence that variations in soil surface characteristics influence the distribution of overland flow and transport of pollutants. These spatially varying surface characteristics are likely to generate non-equilibrium flow and transport processes. HYDRUS-1D includes a hierarchical series of models of increasing complexity to account for both physical equilibrium and non-equilibrium, e.g., dual-porosity and dual-permeability models, up to a dual-permeability model with immobile water. The same conceptualization as used for the subsurface was implemented to simulate non-equilibrium overland flow and transport at the soil surface. The developed model improves our ability to describe non-equilibrium overland flow and transport processes and to improves our understanding of factors that cause this behavior. The HYDRUS-1D overland flow and transport model was additionally also extended to simulate soil erosion. The HYDRUS-1D Soil Erosion Model has been verified by comparing with other soil erosion models. The model performed well when the average soil particle size is relatively large. The performance of the soil erosion model has been further validated by comparing with selected experimental datasets from the literature.

Numerical simulation of advective-dispersive multisolute transport with sorption, ion exchange and equilibrium chemistry

USGS Publications Warehouse

Lewis, F.M.; Voss, C.I.; Rubin, Jacob

1986-01-01

A model was developed that can simulate the effect of certain chemical and sorption reactions simultaneously among solutes involved in advective-dispersive transport through porous media. The model is based on a methodology that utilizes physical-chemical relationships in the development of the basic solute mass-balance equations; however, the form of these equations allows their solution to be obtained by methods that do not depend on the chemical processes. The chemical environment is governed by the condition of local chemical equilibrium, and may be defined either by the linear sorption of a single species and two soluble complexation reactions which also involve that species, or binary ion exchange and one complexation reaction involving a common ion. Partial differential equations that describe solute mass balance entirely in the liquid phase are developed for each tenad (a chemical entity whose total mass is independent of the reaction process) in terms of their total dissolved concentration. These equations are solved numerically in two dimensions through the modification of an existing groundwater flow/transport computer code. (Author 's abstract)

Computational strategy for the solution of large strain nonlinear problems using the Wilkins explicit finite-difference approach

NASA Technical Reports Server (NTRS)

Hofmann, R.

1980-01-01

The STEALTH code system, which solves large strain, nonlinear continuum mechanics problems, was rigorously structured in both overall design and programming standards. The design is based on the theoretical elements of analysis while the programming standards attempt to establish a parallelism between physical theory, programming structure, and documentation. These features have made it easy to maintain, modify, and transport the codes. It has also guaranteed users a high level of quality control and quality assurance.

BROMOC suite: Monte Carlo/Brownian dynamics suite for studies of ion permeation and DNA transport in biological and artificial pores with effective potentials.

PubMed

De Biase, Pablo M; Markosyan, Suren; Noskov, Sergei

2015-02-05

The transport of ions and solutes by biological pores is central for cellular processes and has a variety of applications in modern biotechnology. The time scale involved in the polymer transport across a nanopore is beyond the accessibility of conventional MD simulations. Moreover, experimental studies lack sufficient resolution to provide details on the molecular underpinning of the transport mechanisms. BROMOC, the code presented herein, performs Brownian dynamics simulations, both serial and parallel, up to several milliseconds long. BROMOC can be used to model large biological systems. IMC-MACRO software allows for the development of effective potentials for solute-ion interactions based on radial distribution function from all-atom MD. BROMOC Suite also provides a versatile set of tools to do a wide variety of preprocessing and postsimulation analysis. We illustrate a potential application with ion and ssDNA transport in MspA nanopore. © 2014 Wiley Periodicals, Inc.

Benchmark solution for the Spencer-Lewis equation of electron transport theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ganapol, B.D.

As integrated circuits become smaller, the shielding of these sensitive components against penetrating electrons becomes extremely critical. Monte Carlo methods have traditionally been the method of choice in shielding evaluations primarily because they can incorporate a wide variety of relevant physical processes. Recently, however, as a result of a more accurate numerical representation of the highly forward peaked scattering process, S/sub n/ methods for one-dimensional problems have been shown to be at least as cost-effective in comparison with Monte Carlo methods. With the development of these deterministic methods for electron transport, a need has arisen to assess the accuracy ofmore » proposed numerical algorithms and to ensure their proper coding. It is the purpose of this presentation to develop a benchmark to the Spencer-Lewis equation describing the transport of energetic electrons in solids. The solution will take advantage of the correspondence between the Spencer-Lewis equation and the transport equation describing one-group time-dependent neutron transport.« less

Stability and accuracy of 3D neutron transport simulations using the 2D/1D method in MPACT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Collins, Benjamin, E-mail: collinsbs@ornl.gov; Stimpson, Shane, E-mail: stimpsonsg@ornl.gov; Kelley, Blake W., E-mail: kelleybl@umich.edu

2016-12-01

A consistent “2D/1D” neutron transport method is derived from the 3D Boltzmann transport equation, to calculate fuel-pin-resolved neutron fluxes for realistic full-core Pressurized Water Reactor (PWR) problems. The 2D/1D method employs the Method of Characteristics to discretize the radial variables and a lower order transport solution to discretize the axial variable. This paper describes the theory of the 2D/1D method and its implementation in the MPACT code, which has become the whole-core deterministic neutron transport solver for the Consortium for Advanced Simulations of Light Water Reactors (CASL) core simulator VERA-CS. Several applications have been performed on both leadership-class and industry-classmore » computing clusters. Results are presented for whole-core solutions of the Watts Bar Nuclear Power Station Unit 1 and compared to both continuous-energy Monte Carlo results and plant data.« less

Stability and accuracy of 3D neutron transport simulations using the 2D/1D method in MPACT

DOE PAGES

Collins, Benjamin; Stimpson, Shane; Kelley, Blake W.; ...

2016-08-25

We derived a consistent “2D/1D” neutron transport method from the 3D Boltzmann transport equation, to calculate fuel-pin-resolved neutron fluxes for realistic full-core Pressurized Water Reactor (PWR) problems. The 2D/1D method employs the Method of Characteristics to discretize the radial variables and a lower order transport solution to discretize the axial variable. Our paper describes the theory of the 2D/1D method and its implementation in the MPACT code, which has become the whole-core deterministic neutron transport solver for the Consortium for Advanced Simulations of Light Water Reactors (CASL) core simulator VERA-CS. We also performed several applications on both leadership-class and industry-classmore » computing clusters. Results are presented for whole-core solutions of the Watts Bar Nuclear Power Station Unit 1 and compared to both continuous-energy Monte Carlo results and plant data.« less

PAGAN

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chu, M.S.Y.

1990-12-01

The PAGAN code system is a part of the performance assessment methodology developed for use by the U.S. Nuclear Regulatory Commission in evaluating license applications for low-level waste disposal facilities. In this methodology, PAGAN is used as one candidate approach for analysis of the ground-water pathway. PAGAN, Version 1.1. has the capability to model the source term, vadose-zone transport, and aquifer transport of radionuclides from a waste disposal unit. It combines the two codes SURFACE and DISPERSE which are used as semi-analytical solutions to the convective-dispersion equation. This system uses menu driven input/out for implementing a simple ground-water transport analysismore » and incorporates statistical uncertainty functions for handling data uncertainties. The output from PAGAN includes a time and location-dependent radionuclide concentration at a well in the aquifer, or a time and location-dependent radionuclide flux into a surface-water body.« less

VERTPAK1

DOE Office of Scientific and Technical Information (OSTI.GOV)

Golis, M.J.

1983-04-01

VERTPAK1 is a package of analytical solutions used in verification of numerical codes that simulate fluid flow, rock deformation, and solute transport in fractured and unfractured porous media. VERTPAK1 contains the following: BAREN, an analytical solution developed by Barenblatt, Zhelton and Kochina (1960) for describing transient flow to a well penetrating a (double porosity) confined aquifer; GIBMAC, an analytical solution developed by McNamee and Gibson (1960) for describing consolidation of a semi-infinite soil medium subject to a strip (plane strain) or cylindrical (axisymmetric) loading; GRINRH, an analytical solution developed by Gringarten (1971) for describing transient flow to a partially penetratingmore » well in a confined aquifer containing a single horizontal fracture; GRINRV, an analytical solution developed by Gringarten, Ramey, and Raghavan (1974) for describing transient flow to a fully penetrating well in a confined aquifer containing a single vertical fracture; HART, an analytical solution given by Nowacki (1962) and implemented by HART (1981) for describing the elastic behavior of an infinite solid subject to a line heat source; LESTER, an analytical solution presented by Lester, Jansen, and Burkholder (1975) for describing one-dimensional transport of radionuclide chains through an adsorbing medium; STRELT, an analytical solution presented by Streltsova-Adams (1978) for describing transient flow to a fully penetrating well in a (double porosity) confined aquifer; and TANG, an analytical solution developed by Tang, Frind, and Sudicky (1981) for describing solute transport in a porous medium containing a single fracture.« less

Process modelling for materials preparation experiments

NASA Technical Reports Server (NTRS)

Rosenberger, Franz; Alexander, J. Iwan D.

1994-01-01

The main goals of the research under this grant consist of the development of mathematical tools and measurement techniques for transport properties necessary for high fidelity modelling of crystal growth from the melt and solution. Of the tasks described in detail in the original proposal, two remain to be worked on: development of a spectral code for moving boundary problems, and development of an expedient diffusivity measurement technique for concentrated and supersaturated solutions. We have focused on developing a code to solve for interface shape, heat and species transport during directional solidification. The work involved the computation of heat, mass and momentum transfer during Bridgman-Stockbarger solidification of compound semiconductors. Domain decomposition techniques and preconditioning methods were used in conjunction with Chebyshev spectral methods to accelerate convergence while retaining the high-order spectral accuracy. During the report period we have further improved our experimental setup. These improvements include: temperature control of the measurement cell to 0.1 C between 10 and 60 C; enclosure of the optical measurement path outside the ZYGO interferometer in a metal housing that is temperature controlled to the same temperature setting as the measurement cell; simultaneous dispensing and partial removal of the lower concentration (lighter) solution above the higher concentration (heavier) solution through independently motor-driven syringes; three-fold increase in data resolution by orientation of the interferometer with respect to diffusion direction; and increase of the optical path length in the solution cell to 12 mm.

Statistical Analysis of CFD Solutions From the Fifth AIAA Drag Prediction Workshop

NASA Technical Reports Server (NTRS)

Morrison, Joseph H.

2013-01-01

A graphical framework is used for statistical analysis of the results from an extensive N-version test of a collection of Reynolds-averaged Navier-Stokes computational fluid dynamics codes. The solutions were obtained by code developers and users from North America, Europe, Asia, and South America using a common grid sequence and multiple turbulence models for the June 2012 fifth Drag Prediction Workshop sponsored by the AIAA Applied Aerodynamics Technical Committee. The aerodynamic configuration for this workshop was the Common Research Model subsonic transport wing-body previously used for the 4th Drag Prediction Workshop. This work continues the statistical analysis begun in the earlier workshops and compares the results from the grid convergence study of the most recent workshop with previous workshops.

A Novel Implementation of Massively Parallel Three Dimensional Monte Carlo Radiation Transport

NASA Astrophysics Data System (ADS)

Robinson, P. B.; Peterson, J. D. L.

2005-12-01

The goal of our summer project was to implement the difference formulation for radiation transport into Cosmos++, a multidimensional, massively parallel, magneto hydrodynamics code for astrophysical applications (Peter Anninos - AX). The difference formulation is a new method for Symbolic Implicit Monte Carlo thermal transport (Brooks and Szöke - PAT). Formerly, simultaneous implementation of fully implicit Monte Carlo radiation transport in multiple dimensions on multiple processors had not been convincingly demonstrated. We found that a combination of the difference formulation and the inherent structure of Cosmos++ makes such an implementation both accurate and straightforward. We developed a "nearly nearest neighbor physics" technique to allow each processor to work independently, even with a fully implicit code. This technique coupled with the increased accuracy of an implicit Monte Carlo solution and the efficiency of parallel computing systems allows us to demonstrate the possibility of massively parallel thermal transport. This work was performed under the auspices of the U.S. Department of Energy by University of California Lawrence Livermore National Laboratory under contract No. W-7405-Eng-48

A Green's function method for high charge and energy ion transport.

PubMed

Chun, S Y; Khandelwal, G S; Wilson, J W

1996-02-01

A heavy-ion transport code using Green's function methods is developed. The low-order perturbation terms exhibiting the greatest energy variation are used as dominant energy-dependent terms, and the higher order collision terms are evaluated using nonperturbative methods. The recently revised NUCFRG database is used to evaluate the solution for comparison with experimental data for 625A MeV 20Ne and 517A MeV 40Ar ion beams. Improved agreements with the attenuation characteristics for neon ions are found, and reasonable agreement is obtained for the transport of argon ions in water.

CRPropa 3.1—a low energy extension based on stochastic differential equations

NASA Astrophysics Data System (ADS)

Merten, Lukas; Becker Tjus, Julia; Fichtner, Horst; Eichmann, Björn; Sigl, Günter

2017-06-01

The propagation of charged cosmic rays through the Galactic environment influences all aspects of the observation at Earth. Energy spectrum, composition and arrival directions are changed due to deflections in magnetic fields and interactions with the interstellar medium. Today the transport is simulated with different simulation methods either based on the solution of a transport equation (multi-particle picture) or a solution of an equation of motion (single-particle picture). We developed a new module for the publicly available propagation software CRPropa 3.1, where we implemented an algorithm to solve the transport equation using stochastic differential equations. This technique allows us to use a diffusion tensor which is anisotropic with respect to an arbitrary magnetic background field. The source code of CRPropa is written in C++ with python steering via SWIG which makes it easy to use and computationally fast. In this paper, we present the new low-energy propagation code together with validation procedures that are developed to proof the accuracy of the new implementation. Furthermore, we show first examples of the cosmic ray density evolution, which depends strongly on the ratio of the parallel κ∥ and perpendicular κ⊥ diffusion coefficients. This dependency is systematically examined as well the influence of the particle rigidity on the diffusion process.

GUI to Facilitate Research on Biological Damage from Radiation

NASA Technical Reports Server (NTRS)

Cucinotta, Frances A.; Ponomarev, Artem Lvovich

2010-01-01

A graphical-user-interface (GUI) computer program has been developed to facilitate research on the damage caused by highly energetic particles and photons impinging on living organisms. The program brings together, into one computational workspace, computer codes that have been developed over the years, plus codes that will be developed during the foreseeable future, to address diverse aspects of radiation damage. These include codes that implement radiation-track models, codes for biophysical models of breakage of deoxyribonucleic acid (DNA) by radiation, pattern-recognition programs for extracting quantitative information from biological assays, and image-processing programs that aid visualization of DNA breaks. The radiation-track models are based on transport models of interactions of radiation with matter and solution of the Boltzmann transport equation by use of both theoretical and numerical models. The biophysical models of breakage of DNA by radiation include biopolymer coarse-grained and atomistic models of DNA, stochastic- process models of deposition of energy, and Markov-based probabilistic models of placement of double-strand breaks in DNA. The program is designed for use in the NT, 95, 98, 2000, ME, and XP variants of the Windows operating system.

OpenGeoSys-GEMS: Hybrid parallelization of a reactive transport code with MPI and threads

NASA Astrophysics Data System (ADS)

Kosakowski, G.; Kulik, D. A.; Shao, H.

2012-04-01

OpenGeoSys-GEMS is a generic purpose reactive transport code based on the operator splitting approach. The code couples the Finite-Element groundwater flow and multi-species transport modules of the OpenGeoSys (OGS) project (http://www.ufz.de/index.php?en=18345) with the GEM-Selektor research package to model thermodynamic equilibrium of aquatic (geo)chemical systems utilizing the Gibbs Energy Minimization approach (http://gems.web.psi.ch/). The combination of OGS and the GEM-Selektor kernel (GEMS3K) is highly flexible due to the object-oriented modular code structures and the well defined (memory based) data exchange modules. Like other reactive transport codes, the practical applicability of OGS-GEMS is often hampered by the long calculation time and large memory requirements. • For realistic geochemical systems which might include dozens of mineral phases and several (non-ideal) solid solutions the time needed to solve the chemical system with GEMS3K may increase exceptionally. • The codes are coupled in a sequential non-iterative loop. In order to keep the accuracy, the time step size is restricted. In combination with a fine spatial discretization the time step size may become very small which increases calculation times drastically even for small 1D problems. • The current version of OGS is not optimized for memory use and the MPI version of OGS does not distribute data between nodes. Even for moderately small 2D problems the number of MPI processes that fit into memory of up-to-date workstations or HPC hardware is limited. One strategy to overcome the above mentioned restrictions of OGS-GEMS is to parallelize the coupled code. For OGS a parallelized version already exists. It is based on a domain decomposition method implemented with MPI and provides a parallel solver for fluid and mass transport processes. In the coupled code, after solving fluid flow and solute transport, geochemical calculations are done in form of a central loop over all finite element nodes with calls to GEMS3K and consecutive calculations of changed material parameters. In a first step the existing MPI implementation was utilized to parallelize this loop. Calculations were split between the MPI processes and afterwards data was synchronized by using MPI communication routines. Furthermore, multi-threaded calculation of the loop was implemented with help of the boost thread library (http://www.boost.org). This implementation provides a flexible environment to distribute calculations between several threads. For each MPI process at least one and up to several dozens of worker threads are spawned. These threads do not replicate the complete OGS-GEM data structure and use only a limited amount of memory. Calculation of the central geochemical loop is shared between all threads. Synchronization between the threads is done by barrier commands. The overall number of local threads times MPI processes should match the number of available computing nodes. The combination of multi-threading and MPI provides an effective and flexible environment to speed up OGS-GEMS calculations while limiting the required memory use. Test calculations on different hardware show that for certain types of applications tremendous speedups are possible.

Tango

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parker, Jeffrey

Tango enables the accelerated numerical solution of the multiscale problem of self-consistent transport and turbulence. Fast turbulence results in fluxes of heat and particles that slowly change the mean profiles of temperature and density. The fluxes are computed by separate turbulence simulation codes; Tang solves for the self-consistent change in mean temperature or density given those fluxes.

Path Toward a Unifid Geometry for Radiation Transport

NASA Technical Reports Server (NTRS)

Lee, Kerry; Barzilla, Janet; Davis, Andrew; Zachmann

2014-01-01

The Direct Accelerated Geometry for Radiation Analysis and Design (DAGRAD) element of the RadWorks Project under Advanced Exploration Systems (AES) within the Space Technology Mission Directorate (STMD) of NASA will enable new designs and concepts of operation for radiation risk assessment, mitigation and protection. This element is designed to produce a solution that will allow NASA to calculate the transport of space radiation through complex computer-aided design (CAD) models using the state-of-the-art analytic and Monte Carlo radiation transport codes. Due to the inherent hazard of astronaut and spacecraft exposure to ionizing radiation in low-Earth orbit (LEO) or in deep space, risk analyses must be performed for all crew vehicles and habitats. Incorporating these analyses into the design process can minimize the mass needed solely for radiation protection. Transport of the radiation fields as they pass through shielding and body materials can be simulated using Monte Carlo techniques or described by the Boltzmann equation, which is obtained by balancing changes in particle fluxes as they traverse a small volume of material with the gains and losses caused by atomic and nuclear collisions. Deterministic codes that solve the Boltzmann transport equation, such as HZETRN [high charge and energy transport code developed by NASA Langley Research Center (LaRC)], are generally computationally faster than Monte Carlo codes such as FLUKA, GEANT4, MCNP(X) or PHITS; however, they are currently limited to transport in one dimension, which poorly represents the secondary light ion and neutron radiation fields. NASA currently uses HZETRN space radiation transport software, both because it is computationally efficient and because proven methods have been developed for using this software to analyze complex geometries. Although Monte Carlo codes describe the relevant physics in a fully three-dimensional manner, their computational costs have thus far prevented their widespread use for analysis of complex CAD models, leading to the creation and maintenance of toolkit-specific simplistic geometry models. The work presented here builds on the Direct Accelerated Geometry Monte Carlo (DAGMC) toolkit developed for use with the Monte Carlo N-Particle (MCNP) transport code. The workflow for achieving radiation transport on CAD models using MCNP and FLUKA has been demonstrated and the results of analyses on realistic spacecraft/habitats will be presented. Future work is planned that will further automate this process and enable the use of multiple radiation transport codes on identical geometry models imported from CAD. This effort will enhance the modeling tools used by NASA to accurately evaluate the astronaut space radiation risk and accurately determine the protection provided by as-designed exploration mission vehicles and habitats

The fusion code XGC: Enabling kinetic study of multi-scale edge turbulent transport in ITER [Book Chapter

DOE Office of Scientific and Technical Information (OSTI.GOV)

D'Azevedo, Eduardo; Abbott, Stephen; Koskela, Tuomas

The XGC fusion gyrokinetic code combines state-of-the-art, portable computational and algorithmic technologies to enable complicated multiscale simulations of turbulence and transport dynamics in ITER edge plasma on the largest US open-science computer, the CRAY XK7 Titan, at its maximal heterogeneous capability, which have not been possible before due to a factor of over 10 shortage in the time-to-solution for less than 5 days of wall-clock time for one physics case. Frontier techniques such as nested OpenMP parallelism, adaptive parallel I/O, staging I/O and data reduction using dynamic and asynchronous applications interactions, dynamic repartitioning for balancing computational work in pushing particlesmore » and in grid related work, scalable and accurate discretization algorithms for non-linear Coulomb collisions, and communication-avoiding subcycling technology for pushing particles on both CPUs and GPUs are also utilized to dramatically improve the scalability and time-to-solution, hence enabling the difficult kinetic ITER edge simulation on a present-day leadership class computer.« less

Validation of a multi-layer Green's function code for ion beam transport

NASA Astrophysics Data System (ADS)

Walker, Steven; Tweed, John; Tripathi, Ram; Badavi, Francis F.; Miller, Jack; Zeitlin, Cary; Heilbronn, Lawrence

To meet the challenge of future deep space programs, an accurate and efficient engineering code for analyzing the shielding requirements against high-energy galactic heavy radiations is needed. In consequence, a new version of the HZETRN code capable of simulating high charge and energy (HZE) ions with either laboratory or space boundary conditions is currently under development. The new code, GRNTRN, is based on a Green's function approach to the solution of Boltzmann's transport equation and like its predecessor is deterministic in nature. The computational model consists of the lowest order asymptotic approximation followed by a Neumann series expansion with non-perturbative corrections. The physical description includes energy loss with straggling, nuclear attenuation, nuclear fragmentation with energy dispersion and down shift. Code validation in the laboratory environment is addressed by showing that GRNTRN accurately predicts energy loss spectra as measured by solid-state detectors in ion beam experiments with multi-layer targets. In order to validate the code with space boundary conditions, measured particle fluences are propagated through several thicknesses of shielding using both GRNTRN and the current version of HZETRN. The excellent agreement obtained indicates that GRNTRN accurately models the propagation of HZE ions in the space environment as well as in laboratory settings and also provides verification of the HZETRN propagator.

Process modelling for materials preparation experiments

NASA Technical Reports Server (NTRS)

Rosenberger, Franz; Alexander, J. Iwan D.

1993-01-01

The main goals of the research under this grant consist of the development of mathematical tools and measurement of transport properties necessary for high fidelity modeling of crystal growth from the melt and solution, in particular, for the Bridgman-Stockbarger growth of mercury cadmium telluride (MCT) and the solution growth of triglycine sulphate (TGS). Of the tasks described in detail in the original proposal, two remain to be worked on: (1) development of a spectral code for moving boundary problems; and (2) diffusivity measurements on concentrated and supersaturated TGS solutions. Progress made during this seventh half-year period is reported.

Process modelling for materials preparation experiments

NASA Technical Reports Server (NTRS)

Rosenberger, Franz; Alexander, J. Iwan D.

1993-01-01

The main goals of the research consist of the development of mathematical tools and measurement of transport properties necessary for high fidelity modeling of crystal growth from the melt and solution, in particular for the Bridgman-Stockbarger growth of mercury cadmium telluride (MCT) and the solution growth of triglycine sulphate (TGS). Of the tasks described in detail in the original proposal, two remain to be worked on: development of a spectral code for moving boundary problems, and diffusivity measurements on concentrated and supersaturated TGS solutions. During this eighth half-year period, good progress was made on these tasks.

Process modelling for materials preparation experiments

NASA Technical Reports Server (NTRS)

Rosenberger, Franz; Alexander, J. Iwan D.

1992-01-01

The development is examined of mathematical tools and measurement of transport properties necessary for high fidelity modeling of crystal growth from the melt and solution, in particular for the Bridgman-Stockbarger growth of mercury cadmium telluride (MCT) and the solution growth of triglycine sulphate (TGS). The tasks include development of a spectral code for moving boundary problems, kinematic viscosity measurements on liquid MCT at temperatures close to the melting point, and diffusivity measurements on concentrated and supersaturated TGS solutions. A detailed description is given of the work performed for these tasks, together with a summary of the resulting publications and presentations.

Towards industrial-strength Navier-Stokes codes

NASA Technical Reports Server (NTRS)

Jou, Wen-Huei; Wigton, Laurence B.; Allmaras, Steven R.

1992-01-01

In this paper we discuss our experiences with Navier-Stokes (NS) codes using central differencing (CD) and scalar artificial dissipation (SAD). The NS-CDSAD codes have been developed by several researchers. Our results confirm that for typical commercial transport wing and wing/body configurations flying at transonic conditions with all turbulent boundary layers, NS-CDSAD codes, when used with the Johnson-King turbulence model, are capable of computing pressure distributions in excellent agreement with experimental data. However, results are not as good when laminar boundary layers are present. Exhaustive 2-D grid refinement studies supported by detailed analysis suggest that the numerical errors associated with SAD severely contaminate the solution in the laminar portion of the boundary layer. It is left as a challenge to the CFD community to find and fix the problems with Navier-Stokes codes and to produce a NS code which converges reliably and properly captures the laminar portion of the boundary layer on a reasonable grid.

SutraPrep, a pre-processor for SUTRA, a model for ground-water flow with solute or energy transport

USGS Publications Warehouse

Provost, Alden M.

2002-01-01

SutraPrep facilitates the creation of three-dimensional (3D) input datasets for the USGS ground-water flow and transport model SUTRA Version 2D3D.1. It is most useful for applications in which the geometry of the 3D model domain and the spatial distribution of physical properties and boundary conditions is relatively simple. SutraPrep can be used to create a SUTRA main input (?.inp?) file, an initial conditions (?.ics?) file, and a 3D plot of the finite-element mesh in Virtual Reality Modeling Language (VRML) format. Input and output are text-based. The code can be run on any platform that has a standard FORTRAN-90 compiler. Executable code is available for Microsoft Windows.

Recent applications of the transonic wing analysis computer code, TWING

NASA Technical Reports Server (NTRS)

Subramanian, N. R.; Holst, T. L.; Thomas, S. D.

1982-01-01

An evaluation of the transonic-wing-analysis computer code TWING is given. TWING utilizes a fully implicit approximate factorization iteration scheme to solve the full potential equation in conservative form. A numerical elliptic-solver grid-generation scheme is used to generate the required finite-difference mesh. Several wing configurations were analyzed, and the limits of applicability of this code was evaluated. Comparisons of computed results were made with available experimental data. Results indicate that the code is robust, accurate (when significant viscous effects are not present), and efficient. TWING generally produces solutions an order of magnitude faster than other conservative full potential codes using successive-line overrelaxation. The present method is applicable to a wide range of isolated wing configurations including high-aspect-ratio transport wings and low-aspect-ratio, high-sweep, fighter configurations.

Time-dependent transport of energetic particles in magnetic turbulence: computer simulations versus analytical theory

NASA Astrophysics Data System (ADS)

Arendt, V.; Shalchi, A.

2018-06-01

We explore numerically the transport of energetic particles in a turbulent magnetic field configuration. A test-particle code is employed to compute running diffusion coefficients as well as particle distribution functions in the different directions of space. Our numerical findings are compared with models commonly used in diffusion theory such as Gaussian distribution functions and solutions of the cosmic ray Fokker-Planck equation. Furthermore, we compare the running diffusion coefficients across the mean magnetic field with solutions obtained from the time-dependent version of the unified non-linear transport theory. In most cases we find that particle distribution functions are indeed of Gaussian form as long as a two-component turbulence model is employed. For turbulence setups with reduced dimensionality, however, the Gaussian distribution can no longer be obtained. It is also shown that the unified non-linear transport theory agrees with simulated perpendicular diffusion coefficients as long as the pure two-dimensional model is excluded.

Development of a new EMP code at LANL

NASA Astrophysics Data System (ADS)

Colman, J. J.; Roussel-Dupré, R. A.; Symbalisty, E. M.; Triplett, L. A.; Travis, B. J.

2006-05-01

A new code for modeling the generation of an electromagnetic pulse (EMP) by a nuclear explosion in the atmosphere is being developed. The source of the EMP is the Compton current produced by the prompt radiation (γ-rays, X-rays, and neutrons) of the detonation. As a first step in building a multi- dimensional EMP code we have written three kinetic codes, Plume, Swarm, and Rad. Plume models the transport of energetic electrons in air. The Plume code solves the relativistic Fokker-Planck equation over a specified energy range that can include ~ 3 keV to 50 MeV and computes the resulting electron distribution function at each cell in a two dimensional spatial grid. The energetic electrons are allowed to transport, scatter, and experience Coulombic drag. Swarm models the transport of lower energy electrons in air, spanning 0.005 eV to 30 keV. The swarm code performs a full 2-D solution to the Boltzmann equation for electrons in the presence of an applied electric field. Over this energy range the relevant processes to be tracked are elastic scattering, three body attachment, two body attachment, rotational excitation, vibrational excitation, electronic excitation, and ionization. All of these occur due to collisions between the electrons and neutral bodies in air. The Rad code solves the full radiation transfer equation in the energy range of 1 keV to 100 MeV. It includes effects of photo-absorption, Compton scattering, and pair-production. All of these codes employ a spherical coordinate system in momentum space and a cylindrical coordinate system in configuration space. The "z" axis of the momentum and configuration spaces is assumed to be parallel and we are currently also assuming complete spatial symmetry around the "z" axis. Benchmarking for each of these codes will be discussed as well as the way forward towards an integrated modern EMP code.

CXTFIT/Excel A modular adaptable code for parameter estimation, sensitivity analysis and uncertainty analysis for laboratory or field tracer experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tang, Guoping; Mayes, Melanie; Parker, Jack C

2010-01-01

We implemented the widely used CXTFIT code in Excel to provide flexibility and added sensitivity and uncertainty analysis functions to improve transport parameter estimation and to facilitate model discrimination for multi-tracer experiments on structured soils. Analytical solutions for one-dimensional equilibrium and nonequilibrium convection dispersion equations were coded as VBA functions so that they could be used as ordinary math functions in Excel for forward predictions. Macros with user-friendly interfaces were developed for optimization, sensitivity analysis, uncertainty analysis, error propagation, response surface calculation, and Monte Carlo analysis. As a result, any parameter with transformations (e.g., dimensionless, log-transformed, species-dependent reactions, etc.) couldmore » be estimated with uncertainty and sensitivity quantification for multiple tracer data at multiple locations and times. Prior information and observation errors could be incorporated into the weighted nonlinear least squares method with a penalty function. Users are able to change selected parameter values and view the results via embedded graphics, resulting in a flexible tool applicable to modeling transport processes and to teaching students about parameter estimation. The code was verified by comparing to a number of benchmarks with CXTFIT 2.0. It was applied to improve parameter estimation for four typical tracer experiment data sets in the literature using multi-model evaluation and comparison. Additional examples were included to illustrate the flexibilities and advantages of CXTFIT/Excel. The VBA macros were designed for general purpose and could be used for any parameter estimation/model calibration when the forward solution is implemented in Excel. A step-by-step tutorial, example Excel files and the code are provided as supplemental material.« less

HST3D; a computer code for simulation of heat and solute transport in three-dimensional ground-water flow systems

USGS Publications Warehouse

Kipp, K.L.

1987-01-01

The Heat- and Soil-Transport Program (HST3D) simulates groundwater flow and associated heat and solute transport in three dimensions. The three governing equations are coupled through the interstitial pore velocity, the dependence of the fluid density on pressure, temperature, the solute-mass fraction , and the dependence of the fluid viscosity on temperature and solute-mass fraction. The solute transport equation is for only a single, solute species with possible linear equilibrium sorption and linear decay. Finite difference techniques are used to discretize the governing equations using a point-distributed grid. The flow-, heat- and solute-transport equations are solved , in turn, after a particle Gauss-reduction scheme is used to modify them. The modified equations are more tightly coupled and have better stability for the numerical solutions. The basic source-sink term represents wells. A complex well flow model may be used to simulate specified flow rate and pressure conditions at the land surface or within the aquifer, with or without pressure and flow rate constraints. Boundary condition types offered include specified value, specified flux, leakage, heat conduction, and approximate free surface, and two types of aquifer influence functions. All boundary conditions can be functions of time. Two techniques are available for solution of the finite difference matrix equations. One technique is a direct-elimination solver, using equations reordered by alternating diagonal planes. The other technique is an iterative solver, using two-line successive over-relaxation. A restart option is available for storing intermediate results and restarting the simulation at an intermediate time with modified boundary conditions. This feature also can be used as protection against computer system failure. Data input and output may be in metric (SI) units or inch-pound units. Output may include tables of dependent variables and parameters, zoned-contour maps, and plots of the dependent variables versus time. (Lantz-PTT)

Groundwater transport of crater-lake brine at Poas Volcano, Costa Rica

USGS Publications Warehouse

Sanford, W.E.; Konikow, Leonard F.; Rowe, G.L.; Brantley, S.L.

1995-01-01

This study analyzes the regional groundwater system at Poas and demonstrates the likelihood that the water discharging from the acidic springs in the Rio Agrio watershed originates at the acidic crater lake. Both heat and solute transport are analyzed on a regional scale through numerical simulations using the HST3D finite-difference model, which solves the coupled equations for fluid flow, heat transport, and solute transport. The code allows fluid viscosity and density to be functions of both temperature and solute concentration. The simulations use estimates for recharge to the mountain and a range of values and various distributions of permeability and porosity. Several sensitivity analyses are performed to test how the uncertainty in many of the model parameters affects the simulation results. These uncertainties yield an estimated range of travel times from the crater lake to the Rio Agrio springs of 1-30 yr, which is in close agreement with the results of tritium analyses of the springs. Calculated groundwater fluxes into and out of the crater lake are both about several hundred kg/s. These fluxes must be accounted for in water budgets of the crater lake. -from Authors

One dimensional heavy ion beam transport: Energy independent model. M.S. Thesis

NASA Technical Reports Server (NTRS)

Farhat, Hamidullah

1990-01-01

Attempts are made to model the transport problem for heavy ion beams in various targets, employing the current level of understanding of the physics of high-charge and energy (HZE) particle interaction with matter are made. An energy independent transport model, with the most simplified assumptions and proper parameters is presented. The first and essential assumption in this case (energy independent transport) is the high energy characterization of the incident beam. The energy independent equation is solved and application is made to high energy neon (NE-20) and iron (FE-56) beams in water. The numerical solutions is given and compared to a numerical solution to determine the accuracy of the model. The lower limit energy for neon and iron to be high energy beams is calculated due to Barkas and Burger theory by LBLFRG computer program. The calculated values in the density range of interest (50 g/sq cm) of water are: 833.43 MeV/nuc for neon and 1597.68 MeV/nuc for iron. The analytical solutions of the energy independent transport equation gives the flux of different collision terms. The fluxes of individual collision terms are given and the total fluxes are shown in graphs relative to different thicknesses of water. The values for fluxes are calculated by the ANASTP computer code.

The NATA code; theory and analysis. Volume 2: User's manual

NASA Technical Reports Server (NTRS)

Bade, W. L.; Yos, J. M.

1975-01-01

The NATA code is a computer program for calculating quasi-one-dimensional gas flow in axisymmetric nozzles and rectangular channels, primarily to describe conditions in electric archeated wind tunnels. The program provides solutions based on frozen chemistry, chemical equilibrium, and nonequilibrium flow with finite reaction rates. The shear and heat flux on the nozzle wall are calculated and boundary layer displacement effects on the inviscid flow are taken into account. The program contains compiled-in thermochemical, chemical kinetic and transport cross section data for high-temperature air, CO2-N2-Ar mixtures, helium, and argon. It calculates stagnation conditions on axisymmetric or two-dimensional models and conditions on the flat surface of a blunt wedge. Included in the report are: definitions of the inputs and outputs; precoded data on gas models, reactions, thermodynamic and transport properties of species, and nozzle geometries; explanations of diagnostic outputs and code abort conditions; test problems; and a user's manual for an auxiliary program (NOZFIT) used to set up analytical curvefits to nozzle profiles.

Evaluating the performance of parallel subsurface simulators: An illustrative example with PFLOTRAN

PubMed Central

Hammond, G E; Lichtner, P C; Mills, R T

2014-01-01

[1] To better inform the subsurface scientist on the expected performance of parallel simulators, this work investigates performance of the reactive multiphase flow and multicomponent biogeochemical transport code PFLOTRAN as it is applied to several realistic modeling scenarios run on the Jaguar supercomputer. After a brief introduction to the code's parallel layout and code design, PFLOTRAN's parallel performance (measured through strong and weak scalability analyses) is evaluated in the context of conceptual model layout, software and algorithmic design, and known hardware limitations. PFLOTRAN scales well (with regard to strong scaling) for three realistic problem scenarios: (1) in situ leaching of copper from a mineral ore deposit within a 5-spot flow regime, (2) transient flow and solute transport within a regional doublet, and (3) a real-world problem involving uranium surface complexation within a heterogeneous and extremely dynamic variably saturated flow field. Weak scalability is discussed in detail for the regional doublet problem, and several difficulties with its interpretation are noted. PMID:25506097

Evaluating the performance of parallel subsurface simulators: An illustrative example with PFLOTRAN.

PubMed

Hammond, G E; Lichtner, P C; Mills, R T

2014-01-01

[1] To better inform the subsurface scientist on the expected performance of parallel simulators, this work investigates performance of the reactive multiphase flow and multicomponent biogeochemical transport code PFLOTRAN as it is applied to several realistic modeling scenarios run on the Jaguar supercomputer. After a brief introduction to the code's parallel layout and code design, PFLOTRAN's parallel performance (measured through strong and weak scalability analyses) is evaluated in the context of conceptual model layout, software and algorithmic design, and known hardware limitations. PFLOTRAN scales well (with regard to strong scaling) for three realistic problem scenarios: (1) in situ leaching of copper from a mineral ore deposit within a 5-spot flow regime, (2) transient flow and solute transport within a regional doublet, and (3) a real-world problem involving uranium surface complexation within a heterogeneous and extremely dynamic variably saturated flow field. Weak scalability is discussed in detail for the regional doublet problem, and several difficulties with its interpretation are noted.

Photoelectrons in the Quiet Polar Wind

NASA Technical Reports Server (NTRS)

Glocer, A.; Khazanov, G.; Liemohn, M.

2017-01-01

This study presents a newly coupled model capable of treating the superthermal electron population in the global polar wind solution. The model combines the hydrodynamic Polar Wind Outflow Model (PWOM) with the kinetic SuperThermal Electron Transport (STET) code. The resulting PWOM-STET coupled model is described and then used to investigate the role of photoelectrons in the polar wind. We present polar wind results along single stationary field lines under dayside and nightside conditions, as well as the global solution reconstructed from nearly 1000 moving field lines. The model results show significant day-night asymmetries in the polar wind solution owing to the higher ionization and photoelectron fluxes on the dayside compared to the nightside. Field line motion is found to modify this dependence and create global structure by transporting field lines through different conditions of illumination and through the localized effects of Joule heating.

Beam Transport of 4 GeV Protons from AGS to the Proton Interrogation Target of the Neutrino Line (Z_line) and Effect of the Air on the Transported Beam

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tsoupas,N.; Ahrens, L.; Pile, P.

2008-10-01

As part of the preparation for the Proton Interrogation Experiment, we have calculated the beam optics for the transport of 4 GeV protons, from the AGS extraction point, to the 'Cross-Section Target Wheel 1' and to the 'Proton Interrogation Target'. In this technical note we present three possible beam-transports each corresponding to a particular Fast Extracted Beam W B setup of the AGS. In addition we present results on the effect of the atmospheric air, (which fills the drift space of the last 100 [m] of the transport line), on the size of the beam, at two locations along themore » drift space, one location at the middle of the drift space and the other at the end where the 'Proton Interrogation Target' is placed. All the beam transports mentioned above require the removal of the WD1 dipole magnet, which is the first magnet of the W-line, because it acts as a limiting beam aperture, and the magnet is not used in the beam transport. An alternative solution of a beam transport, which does not require the removal of the WD1 magnet, is also presented. In this solution, which models the transport line using the TURTLE computer code[7], the vertical beam sizes at the location of the WD1 magnet is minimized to allow 'lossless' beam transport at the location of the WD1 magnet. A similar solution, but using a MAD model of the line, is also presented.« less

Simulations of Coherent Synchrotron Radiation Effects in Electron Machines

NASA Astrophysics Data System (ADS)

Migliorati, M.; Schiavi, A.; Dattoli, G.

2007-09-01

Coherent synchrotron radiation (CSR) generated by high intensity electron beams can be a source of undesirable effects limiting the performance of storage rings. The complexity of the physical mechanisms underlying the interplay between the electron beam and the CSR demands for reliable simulation codes. In the past, codes based on Lie algebraic techniques have been very efficient to treat transport problems in accelerators. The extension of these methods to the non linear case is ideally suited to treat wakefields - beam interaction. In this paper we report on the development of a numerical code, based on the solution of the Vlasov equation, which includes the non linear contribution due to wakefields. The proposed solution method exploits an algebraic technique that uses the exponential operators. We show that, in the case of CSR wakefields, the integration procedure is capable of reproducing the onset of an instability which leads to microbunching of the beam thus increasing the CSR at short wavelengths. In addition, considerations on the threshold of the instability for Gaussian bunches is also reported.

Simulations of Coherent Synchrotron Radiation Effects in Electron Machines

NASA Astrophysics Data System (ADS)

Migliorati, M.; Schiavi, A.; Dattoli, G.

Coherent synchrotron radiation (CSR) generated by high intensity electron beams can be a source of undesirable effects limiting the performance of storage rings. The complexity of the physical mechanisms underlying the interplay between the electron beam and the CSR demands for reliable simulation codes. In the past, codes based on Lie algebraic techniques have been very efficient to treat transport problems in accelerators. The extension of these methods to the non linear case is ideally suited to treat wakefields - beam interaction. In this paper we report on the development of a numerical code, based on the solution of the Vlasov equation, which includes the non linear contribution due to wakefields. The proposed solution method exploits an algebraic technique that uses the exponential operators. We show that, in the case of CSR wakefields, the integration procedure is capable of reproducing the onset of an instability which leads to microbunching of the beam thus increasing the CSR at short wavelengths. In addition, considerations on the threshold of the instability for Gaussian bunches is also reported.

Crystal structures of two Bordetella pertussis periplasmic receptors contribute to defining a novel pyroglutamic acid binding DctP subfamily.

PubMed

Rucktooa, Prakash; Antoine, Rudy; Herrou, Julien; Huvent, Isabelle; Locht, Camille; Jacob-Dubuisson, Françoise; Villeret, Vincent; Bompard, Coralie

2007-06-29

Gram-negative bacteria have developed several different transport systems for solute uptake. One of these, the tripartite ATP independent periplasmic transport system (TRAP-T), makes use of an extracytoplasmic solute receptor (ESR) which captures specific solutes with high affinity and transfers them to their partner permease complex located in the bacterial inner membrane. We hereby report the structures of DctP6 and DctP7, two such ESRs from Bordetella pertussis. These two proteins display a high degree of sequence and structural similarity and possess the "Venus flytrap" fold characteristic of ESRs, comprising two globular alpha/beta domains hinged together to form a ligand binding cleft. DctP6 and DctP7 both show a closed conformation due to the presence of one pyroglutamic acid molecule bound by highly conserved residues in their respective ligand binding sites. BLAST analyses have revealed that the DctP6 and DctP7 residues involved in ligand binding are strictly present in a number of predicted TRAP-T ESRs from other bacteria. In most cases, the genes encoding these TRAP-T systems are located in the vicinity of a gene coding for a pyroglutamic acid metabolising enzyme. Both the high degree of conservation of these ligand binding residues and the genomic context of these TRAP-T-coding operons in a number of bacterial species, suggest that DctP6 and DctP7 constitute the prototypes of a novel TRAP-T DctP subfamily involved in pyroglutamic acid transport.

High-resolution simulations of multi-phase flow in magmatic-hydrothermal systems with realistic fluid properties

NASA Astrophysics Data System (ADS)

Geiger, S.; Driesner, T.; Matthai, S.; Heinrich, C.

2002-12-01

Realistic modelling of multi-phase fluid flow, energy and component transport in magmatic-hydrothermal systems is very challenging because hydrological properties of fluids and rocks vary over many orders of magnitude and the geometric complexities of such systems. Furthermore, density dependent component transport and transient permeability variations due to P-T changes and fluid-rock interactions introduce additional difficulties. As a result, the governing equations for the hydrodynamics, energy and component transport, and thermodynamics in magmatic hydrothermal systems are highly non-linear and strongly coupled. Essential requirements of a numerical formulation for such a system are: (1) a treatment of the hydrodynamics that can accurately resolve complex geological structures and represent the highly variable fluid velocities herein, (2) a realistic thermodynamic representation of the fluid properties including the wide P-T-X range of liquid+vapour coexistence for the highly saline fluids, and (3) an accurate handling of the highly contrasting transport properties of the two fluids. We are combining higher order finite-element (FE) methods with total variation diminishing finite volume (TVDFV) methods to model the hydrodynamics and energy and component transport of magmatic hydrothermal systems. Combined FE and TVDFV methods are mass and shock preserving, yield great geometric flexibility in 2D and 3D [2]. Furthermore, efficient matrix solvers can be employed to model fluid flow in geologically realistic structures [5]. The governing equations are linearized by operator-splitting and solved sequentially using a Picard iteration scheme. We chose the system water-NaCl as a realistic proxy for natural fluids occurring in magmatic-hydrothermal systems. An in-depth evaluation of the available experimental and theoretical data led to a consistent and accurate set of formulations for the PVTXH relations that are valid from 0 to 800 C, 0 to 500 MPa, and 0 to 1 XNaCl. Dynamic viscosities are currently approximated by the approach of Palliser and McKibbin [4]. The numerical solutions of the governing equations and the equation of state are embedded in our object-oriented C++ code CSP3D4.0 [6]. Comparisons of the numerical solutions carried out with CSP for solute transport with analytical solutions and classical test cases for density dependent flow (i.e., Elder problem [1]) show very good agreement. The numerical solutions carried out with CSP and the established United States Geological Survey code HYDROTHERM [3] for multi-phase flow and energy transport also yield a very good agreement. Fluid inclusion data can be used to constrain the PTX properties of the hydrothermal fluids in numerical solutions. [1] Journal of Fluid Mechanics 27, 609-623 [2] ANU Mathematical Research Report, MRR01-023 [3] USGS Water Investigations Report 94-4045 [4] Transport in Porous Media 33, 155-171 [5] AAPG Bulletin 80, 1763-1779 [6] CSP User's Guide, Dept. of Earth Sciences ETH Zurich

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dustin Popp; Zander Mausolff; Sedat Goluoglu

We are proposing to use the code, TDKENO, to model TREAT. TDKENO solves the time dependent, three dimensional Boltzmann transport equation with explicit representation of delayed neutrons. Instead of directly integrating this equation, the neutron flux is factored into two components – a rapidly varying amplitude equation and a slowly varying shape equation and each is solved separately on different time scales. The shape equation is solved using the 3D Monte Carlo transport code KENO, from Oak Ridge National Laboratory’s SCALE code package. Using the Monte Carlo method to solve the shape equation is still computationally intensive, but the operationmore » is only performed when needed. The amplitude equation is solved deterministically and frequently, so the solution gives an accurate time-dependent solution without having to repeatedly We have modified TDKENO to incorporate KENO-VI so that we may accurately represent the geometries within TREAT. This paper explains the motivation behind using generalized geometry, and provides the results of our modifications. TDKENO uses the Improved Quasi-Static method to accomplish this. In this method, the neutron flux is factored into two components. One component is a purely time-dependent and rapidly varying amplitude function, which is solved deterministically and very frequently (small time steps). The other is a slowly varying flux shape function that weakly depends on time and is only solved when needed (significantly larger time steps).« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bolding, Simon R.; Cleveland, Mathew Allen; Morel, Jim E.

In this paper, we have implemented a new high-order low-order (HOLO) algorithm for solving thermal radiative transfer problems. The low-order (LO) system is based on the spatial and angular moments of the transport equation and a linear-discontinuous finite-element spatial representation, producing equations similar to the standard S 2 equations. The LO solver is fully implicit in time and efficiently resolves the nonlinear temperature dependence at each time step. The high-order (HO) solver utilizes exponentially convergent Monte Carlo (ECMC) to give a globally accurate solution for the angular intensity to a fixed-source pure-absorber transport problem. This global solution is used tomore » compute consistency terms, which require the HO and LO solutions to converge toward the same solution. The use of ECMC allows for the efficient reduction of statistical noise in the Monte Carlo solution, reducing inaccuracies introduced through the LO consistency terms. Finally, we compare results with an implicit Monte Carlo code for one-dimensional gray test problems and demonstrate the efficiency of ECMC over standard Monte Carlo in this HOLO algorithm.« less

A High-Order Low-Order Algorithm with Exponentially Convergent Monte Carlo for Thermal Radiative Transfer

DOE PAGES

Bolding, Simon R.; Cleveland, Mathew Allen; Morel, Jim E.

2016-10-21

In this paper, we have implemented a new high-order low-order (HOLO) algorithm for solving thermal radiative transfer problems. The low-order (LO) system is based on the spatial and angular moments of the transport equation and a linear-discontinuous finite-element spatial representation, producing equations similar to the standard S 2 equations. The LO solver is fully implicit in time and efficiently resolves the nonlinear temperature dependence at each time step. The high-order (HO) solver utilizes exponentially convergent Monte Carlo (ECMC) to give a globally accurate solution for the angular intensity to a fixed-source pure-absorber transport problem. This global solution is used tomore » compute consistency terms, which require the HO and LO solutions to converge toward the same solution. The use of ECMC allows for the efficient reduction of statistical noise in the Monte Carlo solution, reducing inaccuracies introduced through the LO consistency terms. Finally, we compare results with an implicit Monte Carlo code for one-dimensional gray test problems and demonstrate the efficiency of ECMC over standard Monte Carlo in this HOLO algorithm.« less

A finite element code for modelling tracer transport in a non-isothermal two-phase flow system for CO2 geological storage characterization

NASA Astrophysics Data System (ADS)

Tong, F.; Niemi, A. P.; Yang, Z.; Fagerlund, F.; Licha, T.; Sauter, M.

2011-12-01

This paper presents a new finite element method (FEM) code for modeling tracer transport in a non-isothermal two-phase flow system. The main intended application is simulation of the movement of so-called novel tracers for the purpose of characterization of geologically stored CO2 and its phase partitioning and migration in deep saline formations. The governing equations are based on the conservation of mass and energy. Among the phenomena accounted for are liquid-phase flow, gas flow, heat transport and the movement of the novel tracers. The movement of tracers includes diffusion and the advection associated with the gas and liquid flow. The temperature, gas pressure, suction, concentration of tracer in liquid phase and concentration of tracer in gas phase are chosen as the five primary variables. Parameters such as the density, viscosity, thermal expansion coefficient are expressed in terms of the primary variables. The governing equations are discretized in space using the Galerkin finite element formulation, and are discretized in time by one-dimensional finite difference scheme. This leads to an ill-conditioned FEM equation that has many small entries along the diagonal of the non-symmetric coefficient matrix. In order to deal with the problem of non-symmetric ill-conditioned matrix equation, special techniques are introduced . Firstly, only nonzero elements of the matrix need to be stored. Secondly, it is avoided to directly solve the whole large matrix. Thirdly, a strategy has been used to keep the diversity of solution methods in the calculation process. Additionally, an efficient adaptive mesh technique is included in the code in order to track the wetting front. The code has been validated against several classical analytical solutions, and will be applied for simulating the CO2 injection experiment to be carried out at the Heletz site, Israel, as part of the EU FP7 project MUSTANG.

A comparison of skyshine computational methods.

PubMed

Hertel, Nolan E; Sweezy, Jeremy E; Shultis, J Kenneth; Warkentin, J Karl; Rose, Zachary J

2005-01-01

A variety of methods employing radiation transport and point-kernel codes have been used to model two skyshine problems. The first problem is a 1 MeV point source of photons on the surface of the earth inside a 2 m tall and 1 m radius silo having black walls. The skyshine radiation downfield from the point source was estimated with and without a 30-cm-thick concrete lid on the silo. The second benchmark problem is to estimate the skyshine radiation downfield from 12 cylindrical canisters emplaced in a low-level radioactive waste trench. The canisters are filled with ion-exchange resin with a representative radionuclide loading, largely 60Co, 134Cs and 137Cs. The solution methods include use of the MCNP code to solve the problem by directly employing variance reduction techniques, the single-scatter point kernel code GGG-GP, the QADMOD-GP point kernel code, the COHORT Monte Carlo code, the NAC International version of the SKYSHINE-III code, the KSU hybrid method and the associated KSU skyshine codes.

acme: The Amendable Coal-Fire Modeling Exercise. A C++ Class Library for the Numerical Simulation of Coal-Fires

NASA Astrophysics Data System (ADS)

Wuttke, Manfred W.

2017-04-01

At LIAG, we use numerical models to develop and enhance understanding of coupled transport processes and to predict the dynamics of the system under consideration. Topics include geothermal heat utilization, subrosion processes, and spontaneous underground coal fires. Although the details make it inconvenient if not impossible to apply a single code implementation to all systems, their investigations go along similar paths: They all depend on the solution of coupled transport equations. We thus saw a need for a modular code system with open access for the various communities to maximize the shared synergistic effects. To this purpose we develop the oops! ( open object-oriented parallel solutions) - toolkit, a C++ class library for the numerical solution of mathematical models of coupled thermal, hydraulic and chemical processes. This is used to develop problem-specific libraries like acme( amendable coal-fire modeling exercise), a class library for the numerical simulation of coal-fires and applications like kobra (Kohlebrand, german for coal-fire), a numerical simulation code for standard coal-fire models. Basic principle of the oops!-code system is the provision of data types for the description of space and time dependent data fields, description of terms of partial differential equations (pde), their discretisation and solving methods. Coupling of different processes, described by their particular pde is modeled by an automatic timescale-ordered operator-splitting technique. acme is a derived coal-fire specific application library, depending on oops!. If specific functionalities of general interest are implemented and have been tested they will be assimilated into the main oops!-library. Interfaces to external pre- and post-processing tools are easily implemented. Thus a construction kit which can be arbitrarily amended is formed. With the kobra-application constructed with acme we study the processes and propagation of shallow coal seam fires in particular in Xinjiang, China, as well as analyze and interpret results from lab experiments.

Some Remarks on GMRES for Transport Theory

NASA Technical Reports Server (NTRS)

Patton, Bruce W.; Holloway, James Paul

2003-01-01

We review some work on the application of GMRES to the solution of the discrete ordinates transport equation in one-dimension. We note that GMRES can be applied directly to the angular flux vector, or it can be applied to only a vector of flux moments as needed to compute the scattering operator of the transport equation. In the former case we illustrate both the delights and defects of ILU right-preconditioners for problems with anisotropic scatter and for problems with upscatter. When working with flux moments we note that GMRES can be used as an accelerator for any existing transport code whose solver is based on a stationary fixed-point iteration, including transport sweeps and DSA transport sweeps. We also provide some numerical illustrations of this idea. We finally show how space can be traded for speed by taking multiple transport sweeps per GMRES iteration. Key Words: transport equation, GMRES, Krylov subspace

CRPropa 3.1—a low energy extension based on stochastic differential equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Merten, Lukas; Tjus, Julia Becker; Eichmann, Björn

The propagation of charged cosmic rays through the Galactic environment influences all aspects of the observation at Earth. Energy spectrum, composition and arrival directions are changed due to deflections in magnetic fields and interactions with the interstellar medium. Today the transport is simulated with different simulation methods either based on the solution of a transport equation (multi-particle picture) or a solution of an equation of motion (single-particle picture). We developed a new module for the publicly available propagation software CRPropa 3.1, where we implemented an algorithm to solve the transport equation using stochastic differential equations. This technique allows us tomore » use a diffusion tensor which is anisotropic with respect to an arbitrary magnetic background field. The source code of CRPropa is written in C++ with python steering via SWIG which makes it easy to use and computationally fast. In this paper, we present the new low-energy propagation code together with validation procedures that are developed to proof the accuracy of the new implementation. Furthermore, we show first examples of the cosmic ray density evolution, which depends strongly on the ratio of the parallel κ{sub ∥} and perpendicular κ{sub ⊥} diffusion coefficients. This dependency is systematically examined as well the influence of the particle rigidity on the diffusion process.« less

Ray Effect Mitigation Through Reference Frame Rotation

DOE PAGES

Tencer, John

2016-05-01

The discrete ordinates method is a popular and versatile technique for solving the radiative transport equation, a major drawback of which is the presence of ray effects. Mitigation of ray effects can yield significantly more accurate results and enhanced numerical stability for combined mode codes. Moreover, when ray effects are present, the solution is seen to be highly dependent upon the relative orientation of the geometry and the global reference frame. It is an undesirable property. A novel ray effect mitigation technique of averaging the computed solution for various reference frame orientations is proposed.

MPACT Theory Manual, Version 2.2.0

DOE Office of Scientific and Technical Information (OSTI.GOV)

Downar, Thomas; Collins, Benjamin S.; Gehin, Jess C.

2016-06-09

This theory manual describes the three-dimensional (3-D) whole-core, pin-resolved transport calculation methodology employed in the MPACT code. To provide sub-pin level power distributions with sufficient accuracy, MPACT employs the method of characteristics (MOC) solutions in the framework of a 3-D coarse mesh finite difference (CMFD) formulation. MPACT provides a 3D MOC solution, but also a 2D/1D solution in which the 2D planar solution is provided by MOC and the axial coupling is resolved by one-dimensional (1-D) lower order (diffusion or P3) solutions. In Chapter 2 of the manual, the MOC methodology is described for calculating the regional angular and scalarmore » fluxes from the Boltzmann transport equation. In Chapter 3, the 2D/1D methodology is described, together with the description of the CMFD iteration process involving dynamic homogenization and solution of the multigroup CMFD linear system. A description of the MPACT depletion algorithm is given in Chapter 4, followed by a discussion of the subgroup and ESSM resonance processing methods in Chapter 5. The final Chapter 6 describes a simplified thermal hydraulics model in MPACT.« less

Statistical Analysis of CFD Solutions from the 6th AIAA CFD Drag Prediction Workshop

NASA Technical Reports Server (NTRS)

Derlaga, Joseph M.; Morrison, Joseph H.

2017-01-01

A graphical framework is used for statistical analysis of the results from an extensive N- version test of a collection of Reynolds-averaged Navier-Stokes computational uid dynam- ics codes. The solutions were obtained by code developers and users from North America, Europe, Asia, and South America using both common and custom grid sequencees as well as multiple turbulence models for the June 2016 6th AIAA CFD Drag Prediction Workshop sponsored by the AIAA Applied Aerodynamics Technical Committee. The aerodynamic con guration for this workshop was the Common Research Model subsonic transport wing- body previously used for both the 4th and 5th Drag Prediction Workshops. This work continues the statistical analysis begun in the earlier workshops and compares the results from the grid convergence study of the most recent workshop with previous workshops.

Modeling solute transport in a heterogeneous unsaturated porous medium under dynamic boundary conditions on different spatial scales

NASA Astrophysics Data System (ADS)

Cremer, Clemens; Neuweiler, Insa; Bechtold, Michel

2013-04-01

Understanding transport of solutes/contaminants through unsaturated soil in the shallow subsurface is vital to assess groundwater quality, nutrient cycling or to plan remediation projects. Alternating precipitation and evaporation conditions causing upward and downward flux with differing flow paths, changes in saturation and related structural heterogeneity make the description of transport in the unsaturated zone near the soil-surface a complex problem. Preferential flow paths strongly depend, among other things, on the saturation of a medium. Recent studies (e.g. Bechtold et al., 2011) showed lateral flow and solute transport during evaporation conditions (upward flux) in vertically layered sand columns. Results revealed that during evaporation water and solute are redistributed laterally from coarse to fine media deeper in the soil, and towards zones of lowest hydraulic head near to the soil surface. These zones at the surface can be coarse or fine grained depending on saturation status and evaporation flux. However, if boundary conditions are reversed and precipitation is applied, the flow field is not reversed in the same manner, resulting in entirely different transport patterns for downward and upward flow. Therefore, considering net-flow rates alone is misleading when describing transport in the shallow unsaturated zone. In this contribution, we analyze transport of a solute in the shallow subsurface to assess effects resulting from the superposition of heterogeneous soil structures and dynamic flow conditions on various spatial scales. Two-dimensional numerical simulations of unsaturated flow and transport in heterogeneous porous media under changing boundary conditions are carried out using a finite-volume code coupled to a particle tracking algorithm to quantify solute transport and leaching rates. In order to validate numerical simulations, results are qualitatively compared to those of a physical experiment (Bechtold et al., 2011). Numerical simulations differ in lateral scale reaching from 0.2 m to 1.5 m, while the height of the domain is kept constant to 1.5m. Strong material heterogeneity is realized through vertical layers of coarse and fine sand. Both materials remain permanently under liquid-flow-dominated ('stage1') evaporation conditions. Spatial moments as well as the dilution index (Kitanidis, 1994) are used for quantification of transport behaviour. Results show that, while all simulations led to anomalous transport, infiltration-evaporation cycles lead to faster solute leaching rates than solely infiltration at the same net-infiltration rate in both homogeneous and heterogeneous media. Flow and transport-paths significantly differed between infiltration and evaporation, resulting in lateral water fluxes and hence lateral solute transport. Variation of the width of the model domain shows faster leaching rates for domains with small horizontal extent.

The fast neutron fluence and the activation detector activity calculations using the effective source method and the adjoint function

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hep, J.; Konecna, A.; Krysl, V.

2011-07-01

This paper describes the application of effective source in forward calculations and the adjoint method to the solution of fast neutron fluence and activation detector activities in the reactor pressure vessel (RPV) and RPV cavity of a VVER-440 reactor. Its objective is the demonstration of both methods on a practical task. The effective source method applies the Boltzmann transport operator to time integrated source data in order to obtain neutron fluence and detector activities. By weighting the source data by time dependent decay of the detector activity, the result of the calculation is the detector activity. Alternatively, if the weightingmore » is uniform with respect to time, the result is the fluence. The approach works because of the inherent linearity of radiation transport in non-multiplying time-invariant media. Integrated in this way, the source data are referred to as the effective source. The effective source in the forward calculations method thereby enables the analyst to replace numerous intensive transport calculations with a single transport calculation in which the time dependence and magnitude of the source are correctly represented. In this work, the effective source method has been expanded slightly in the following way: neutron source data were performed with few group method calculation using the active core calculation code MOBY-DICK. The follow-up neutron transport calculation was performed using the neutron transport code TORT to perform multigroup calculations. For comparison, an alternative method of calculation has been used based upon adjoint functions of the Boltzmann transport equation. Calculation of the three-dimensional (3-D) adjoint function for each required computational outcome has been obtained using the deterministic code TORT and the cross section library BGL440. Adjoint functions appropriate to the required fast neutron flux density and neutron reaction rates have been calculated for several significant points within the RPV and RPV cavity of the VVER-440 reacto rand located axially at the position of maximum power and at the position of the weld. Both of these methods (the effective source and the adjoint function) are briefly described in the present paper. The paper also describes their application to the solution of fast neutron fluence and detectors activities for the VVER-440 reactor. (authors)« less

A Deep Penetration Problem Calculation Using AETIUS:An Easy Modeling Discrete Ordinates Transport Code UsIng Unstructured Tetrahedral Mesh, Shared Memory Parallel

NASA Astrophysics Data System (ADS)

KIM, Jong Woon; LEE, Young-Ouk

2017-09-01

As computing power gets better and better, computer codes that use a deterministic method seem to be less useful than those using the Monte Carlo method. In addition, users do not like to think about space, angles, and energy discretization for deterministic codes. However, a deterministic method is still powerful in that we can obtain a solution of the flux throughout the problem, particularly as when particles can barely penetrate, such as in a deep penetration problem with small detection volumes. Recently, a new state-of-the-art discrete-ordinates code, ATTILA, was developed and has been widely used in several applications. ATTILA provides the capabilities to solve geometrically complex 3-D transport problems by using an unstructured tetrahedral mesh. Since 2009, we have been developing our own code by benchmarking ATTILA. AETIUS is a discrete ordinates code that uses an unstructured tetrahedral mesh such as ATTILA. For pre- and post- processing, Gmsh is used to generate an unstructured tetrahedral mesh by importing a CAD file (*.step) and visualizing the calculation results of AETIUS. Using a CAD tool, the geometry can be modeled very easily. In this paper, we describe a brief overview of AETIUS and provide numerical results from both AETIUS and a Monte Carlo code, MCNP5, in a deep penetration problem with small detection volumes. The results demonstrate the effectiveness and efficiency of AETIUS for such calculations.

Space Radiation Transport Code Development: 3DHZETRN

NASA Technical Reports Server (NTRS)

Wilson, John W.; Slaba, Tony C.; Badavi, Francis F.; Reddell, Brandon D.; Bahadori, Amir A.

2015-01-01

The space radiation transport code, HZETRN, has been used extensively for research, vehicle design optimization, risk analysis, and related applications. One of the simplifying features of the HZETRN transport formalism is the straight-ahead approximation, wherein all particles are assumed to travel along a common axis. This reduces the governing equation to one spatial dimension allowing enormous simplification and highly efficient computational procedures to be implemented. Despite the physical simplifications, the HZETRN code is widely used for space applications and has been found to agree well with fully 3D Monte Carlo simulations in many circumstances. Recent work has focused on the development of 3D transport corrections for neutrons and light ions (Z < 2) for which the straight-ahead approximation is known to be less accurate. Within the development of 3D corrections, well-defined convergence criteria have been considered, allowing approximation errors at each stage in model development to be quantified. The present level of development assumes the neutron cross sections have an isotropic component treated within N explicit angular directions and a forward component represented by the straight-ahead approximation. The N = 1 solution refers to the straight-ahead treatment, while N = 2 represents the bi-directional model in current use for engineering design. The figure below shows neutrons, protons, and alphas for various values of N at locations in an aluminum sphere exposed to a solar particle event (SPE) spectrum. The neutron fluence converges quickly in simple geometry with N > 14 directions. The improved code, 3DHZETRN, transports neutrons, light ions, and heavy ions under space-like boundary conditions through general geometry while maintaining a high degree of computational efficiency. A brief overview of the 3D transport formalism for neutrons and light ions is given, and extensive benchmarking results with the Monte Carlo codes Geant4, FLUKA, and PHITS are provided for a variety of boundary conditions and geometries. Improvements provided by the 3D corrections are made clear in the comparisons. Developments needed to connect 3DHZETRN to vehicle design and optimization studies will be discussed. Future theoretical development will relax the forward plus isotropic interaction assumption to more general angular dependence.

2nd-Order CESE Results For C1.4: Vortex Transport by Uniform Flow

NASA Technical Reports Server (NTRS)

Friedlander, David J.

2015-01-01

The Conservation Element and Solution Element (CESE) method was used as implemented in the NASA research code ez4d. The CESE method is a time accurate formulation with flux-conservation in both space and time. The method treats the discretized derivatives of space and time identically and while the 2nd-order accurate version was used, high-order versions exist, the 2nd-order accurate version was used. In regards to the ez4d code, it is an unstructured Navier-Stokes solver coded in C++ with serial and parallel versions available. As part of its architecture, ez4d has the capability to utilize multi-thread and Messaging Passage Interface (MPI) for parallel runs.

Stable isotope reactive transport modeling in water-rock interactions during CO2 injection

NASA Astrophysics Data System (ADS)

Hidalgo, Juan J.; Lagneau, Vincent; Agrinier, Pierre

2010-05-01

Stable isotopes can be of great usefulness in the characterization and monitoring of CO2 sequestration sites. Stable isotopes can be used to track the migration of the CO2 plume and identify leakage sources. Moreover, they provide unique information about the chemical reactions that take place on the CO2-water-rock system. However, there is a lack of appropriate tools that help modelers to incorporate stable isotope information into the flow and transport models used in CO2 sequestration problems. In this work, we present a numerical tool for modeling the transport of stable isotopes in groundwater reactive systems. The code is an extension of the groundwater single-phase flow and reactive transport code HYTEC [2]. HYTEC's transport module was modified to include element isotopes as separate species. This way, it is able to track isotope composition of the system by computing the mixing between the background water and the injected solution accounting for the dependency of diffusion on the isotope mass. The chemical module and database have been expanded to included isotopic exchange with minerals and the isotope fractionation associated with chemical reactions and mineral dissolution or precipitation. The performance of the code is illustrated through a series of column synthetic models. The code is also used to model the aqueous phase CO2 injection test carried out at the Lamont-Doherty Earth Observatory site (Palisades, New York, USA) [1]. References [1] N. Assayag, J. Matter, M. Ader, D. Goldberg, and P. Agrinier. Water-rock interactions during a CO2 injection field-test: Implications on host rock dissolution and alteration effects. Chemical Geology, 265(1-2):227-235, July 2009. [2] Jan van der Lee, Laurent De Windt, Vincent Lagneau, and Patrick Goblet. Module-oriented modeling of reactive transport with HYTEC. Computers & Geosciences, 29(3):265-275, April 2003.

Simulating Donnan equilibria based on the Nernst-Planck equation

NASA Astrophysics Data System (ADS)

Gimmi, Thomas; Alt-Epping, Peter

2018-07-01

Understanding ion transport through clays and clay membranes is important for many geochemical and environmental applications. Ion transport is affected by electrostatic forces exerted by charged clay surfaces. Anions are partly excluded from pore water near these surfaces, whereas cations are enriched. Such effects can be modeled by the Donnan approach. Here we introduce a new, comparatively simple way to represent Donnan equilibria in transport simulations. We include charged surfaces as immobile ions in the balance equation and calculate coupled transport of all components, including the immobile charges, with the Nernst-Planck equation. This results in an additional diffusion potential that influences ion transport, leading to Donnan ion distributions while maintaining local charge balance. The validity of our new approach was demonstrated by comparing Nernst-Planck simulations using the reactive transport code Flotran with analytical solutions available for simple Donnan systems. Attention has to be paid to the numerical evaluation of the electrochemical migration term in the Nernst-Planck equation to obtain correct results for asymmetric electrolytes. Sensitivity simulations demonstrate the influence of various Donnan model parameters on simulated anion accessible porosities. It is furthermore shown that the salt diffusion coefficient in a Donnan pore depends on local concentrations, in contrast to the aqueous salt diffusion coefficient. Our approach can be easily implemented into other transport codes. It is versatile and facilitates, for instance, assessing the implications of different activity models for the Donnan porosity.

A parallel multi-domain solution methodology applied to nonlinear thermal transport problems in nuclear fuel pins

DOE PAGES

Philip, Bobby; Berrill, Mark A.; Allu, Srikanth; ...

2015-01-26

We describe an efficient and nonlinearly consistent parallel solution methodology for solving coupled nonlinear thermal transport problems that occur in nuclear reactor applications over hundreds of individual 3D physical subdomains. Efficiency is obtained by leveraging knowledge of the physical domains, the physics on individual domains, and the couplings between them for preconditioning within a Jacobian Free Newton Krylov method. Details of the computational infrastructure that enabled this work, namely the open source Advanced Multi-Physics (AMP) package developed by the authors are described. The details of verification and validation experiments, and parallel performance analysis in weak and strong scaling studies demonstratingmore » the achieved efficiency of the algorithm are presented. Moreover, numerical experiments demonstrate that the preconditioner developed is independent of the number of fuel subdomains in a fuel rod, which is particularly important when simulating different types of fuel rods. Finally, we demonstrate the power of the coupling methodology by considering problems with couplings between surface and volume physics and coupling of nonlinear thermal transport in fuel rods to an external radiation transport code.« less

A model for managing sources of groundwater pollution

USGS Publications Warehouse

Gorelick, Steven M.

1982-01-01

The waste disposal capacity of a groundwater system can be maximized while maintaining water quality at specified locations by using a groundwater pollutant source management model that is based upon linear programing and numerical simulation. The decision variables of the management model are solute waste disposal rates at various facilities distributed over space. A concentration response matrix is used in the management model to describe transient solute transport and is developed using the U.S. Geological Survey solute transport simulation model. The management model was applied to a complex hypothetical groundwater system. Large-scale management models were formulated as dual linear programing problems to reduce numerical difficulties and computation time. Linear programing problems were solved using a numerically stable, available code. Optimal solutions to problems with successively longer management time horizons indicated that disposal schedules at some sites are relatively independent of the number of disposal periods. Optimal waste disposal schedules exhibited pulsing rather than constant disposal rates. Sensitivity analysis using parametric linear programing showed that a sharp reduction in total waste disposal potential occurs if disposal rates at any site are increased beyond their optimal values.

The NATA code: Theory and analysis, volume 1. [user manuals (computer programming) - gas dynamics, wind tunnels

NASA Technical Reports Server (NTRS)

Bade, W. L.; Yos, J. M.

1975-01-01

A computer program for calculating quasi-one-dimensional gas flow in axisymmetric and two-dimensional nozzles and rectangular channels is presented. Flow is assumed to start from a state of thermochemical equilibrium at a high temperature in an upstream reservoir. The program provides solutions based on frozen chemistry, chemical equilibrium, and nonequilibrium flow with finite reaction rates. Electronic nonequilibrium effects can be included using a two-temperature model. An approximate laminar boundary layer calculation is given for the shear and heat flux on the nozzle wall. Boundary layer displacement effects on the inviscid flow are considered also. Chemical equilibrium and transport property calculations are provided by subroutines. The code contains precoded thermochemical, chemical kinetic, and transport cross section data for high-temperature air, CO2-N2-Ar mixtures, helium, and argon. It provides calculations of the stagnation conditions on axisymmetric or two-dimensional models, and of the conditions on the flat surface of a blunt wedge. The primary purpose of the code is to describe the flow conditions and test conditions in electric arc heated wind tunnels.

Entropic Lattice Boltzmann Simulations of Turbulence

NASA Astrophysics Data System (ADS)

Keating, Brian; Vahala, George; Vahala, Linda; Soe, Min; Yepez, Jeffrey

2006-10-01

Because of its simplicity, nearly perfect parallelization and vectorization on supercomputer platforms, lattice Boltzmann (LB) methods hold great promise for simulations of nonlinear physics. Indeed, our MHD-LB code has the best sustained performance/PE of any code on the Earth Simulator. By projecting into the higher dimensional kinetic phase space, the solution trajectory is simpler and much easier to compute than standard CFD approach. However, simple LB -- with its simple advection and local BGK collisional relaxation -- does not impose positive definiteness of the distribution functions in the time evolution. This leads to numerical instabilities for very low transport coefficients. In Entropic LB (ELB) one determines a discrete H-theorem and the equilibrium distribution functions subject to the collisional invariants. The ELB algorithm is unconditionally stable to arbitrary small transport coefficients. Various choices of velocity discretization are examined: 15, 19 and 27-bit ELB models. The connection between Tsallis and Boltzmann entropies are clarified.

DPM, a fast, accurate Monte Carlo code optimized for photon and electron radiotherapy treatment planning dose calculations

NASA Astrophysics Data System (ADS)

Sempau, Josep; Wilderman, Scott J.; Bielajew, Alex F.

2000-08-01

A new Monte Carlo (MC) algorithm, the `dose planning method' (DPM), and its associated computer program for simulating the transport of electrons and photons in radiotherapy class problems employing primary electron beams, is presented. DPM is intended to be a high-accuracy MC alternative to the current generation of treatment planning codes which rely on analytical algorithms based on an approximate solution of the photon/electron Boltzmann transport equation. For primary electron beams, DPM is capable of computing 3D dose distributions (in 1 mm3 voxels) which agree to within 1% in dose maximum with widely used and exhaustively benchmarked general-purpose public-domain MC codes in only a fraction of the CPU time. A representative problem, the simulation of 1 million 10 MeV electrons impinging upon a water phantom of 1283 voxels of 1 mm on a side, can be performed by DPM in roughly 3 min on a modern desktop workstation. DPM achieves this performance by employing transport mechanics and electron multiple scattering distribution functions which have been derived to permit long transport steps (of the order of 5 mm) which can cross heterogeneity boundaries. The underlying algorithm is a `mixed' class simulation scheme, with differential cross sections for hard inelastic collisions and bremsstrahlung events described in an approximate manner to simplify their sampling. The continuous energy loss approximation is employed for energy losses below some predefined thresholds, and photon transport (including Compton, photoelectric absorption and pair production) is simulated in an analogue manner. The δ-scattering method (Woodcock tracking) is adopted to minimize the computational costs of transporting photons across voxels.

molgw 1: Many-body perturbation theory software for atoms, molecules, and clusters

DOE PAGES

Bruneval, Fabien; Rangel, Tonatiuh; Hamed, Samia M.; ...

2016-07-12

Here, we summarize the MOLGW code that implements density-functional theory and many-body perturbation theory in a Gaussian basis set. The code is dedicated to the calculation of the many-body self-energy within the GW approximation and the solution of the Bethe–Salpeter equation. These two types of calculations allow the user to evaluate physical quantities that can be compared to spectroscopic experiments. Quasiparticle energies, obtained through the calculation of the GW self-energy, can be compared to photoemission or transport experiments, and neutral excitation energies and oscillator strengths, obtained via solution of the Bethe–Salpeter equation, are measurable by optical absorption. The implementation choicesmore » outlined here have aimed at the accuracy and robustness of calculated quantities with respect to measurements. Furthermore, the algorithms implemented in MOLGW allow users to consider molecules or clusters containing up to 100 atoms with rather accurate basis sets, and to choose whether or not to apply the resolution-of-the-identity approximation. Finally, we demonstrate the parallelization efficacy of the MOLGW code over several hundreds of processors.« less

A three-dimensional method-of-characteristics solute-transport model (MOC3D)

USGS Publications Warehouse

Konikow, Leonard F.; Goode, D.J.; Hornberger, G.Z.

1996-01-01

This report presents a model, MOC3D, that simulates three-dimensional solute transport in flowing ground water. The model computes changes in concentration of a single dissolved chemical constituent over time that are caused by advective transport, hydrodynamic dispersion (including both mechanical dispersion and diffusion), mixing (or dilution) from fluid sources, and mathematically simple chemical reactions (including linear sorption, which is represented by a retardation factor, and decay). The transport model is integrated with MODFLOW, a three-dimensional ground-water flow model that uses implicit finite-difference methods to solve the transient flow equation. MOC3D uses the method of characteristics to solve the transport equation on the basis of the hydraulic gradients computed with MODFLOW for a given time step. This implementation of the method of characteristics uses particle tracking to represent advective transport and explicit finite-difference methods to calculate the effects of other processes. However, the explicit procedure has several stability criteria that may limit the size of time increments for solving the transport equation; these are automatically determined by the program. For improved efficiency, the user can apply MOC3D to a subgrid of the primary MODFLOW grid that is used to solve the flow equation. However, the transport subgrid must have uniform grid spacing along rows and columns. The report includes a description of the theoretical basis of the model, a detailed description of input requirements and output options, and the results of model testing and evaluation. The model was evaluated for several problems for which exact analytical solutions are available and by benchmarking against other numerical codes for selected complex problems for which no exact solutions are available. These test results indicate that the model is very accurate for a wide range of conditions and yields minimal numerical dispersion for advection-dominated problems. Mass-balance errors are generally less than 10 percent, and tend to decrease and stabilize with time.

Uncertainty Quantification For Physical and Numerical Diffusion Models In Inertial Confinement Fusion Simulations

NASA Astrophysics Data System (ADS)

Rana, Verinder S.

This thesis concerns simulations of Inertial Confinement Fusion. Inertial confinement is carried out in a large scale facility at National Ignition Facility. The experiments have failed to reproduce design calculations, and so uncertainty quantification of calculations is an important asset. Uncertainties can be classified as aleatoric or epistemic. This thesis is concerned with aleatoric uncertainty quantification. Among the many uncertain aspects that affect the simulations, we have narrowed our study of possible uncertainties. The first source of uncertainty we present is the amount of pre-heating of the fuel done by hot electrons. The second source of uncertainty we consider is the effect of the algorithmic and physical transport diffusion and their effect on the hot spot thermodynamics. Physical transport mechanisms play an important role for the entire duration of the ICF capsule, so modeling them correctly becomes extremely vital. In addition, codes that simulate material mixing introduce numerical (algorithmically) generated transport across the material interfaces. This adds another layer of uncertainty in the solution through the artificially added diffusion. The third source of uncertainty we consider is physical model uncertainty. The fourth source of uncertainty we focus on a single localized surface perturbation (a divot) which creates a perturbation to the solution that can potentially enter the hot spot to diminish the thermonuclear environment. Jets of ablator material are hypothesized to enter the hot spot and cool the core, contributing to the observed lower reactions than predicted levels. A plasma transport package, Transport for Inertial Confinement Fusion (TICF) has been implemented into the Radiation Hydrodynamics code FLASH, from the University of Chicago. TICF has thermal, viscous and mass diffusion models that span the entire ICF implosion regime. We introduced a Quantum Molecular Dynamics calibrated thermal conduction model due to Hu for thermal transport. The numerical approximation uncertainties are introduced by the choice of a hydrodynamic solver for a particular flow. Solvers tend to be diffusive at material interfaces and the Front Tracking (FT) algorithm, which is an already available software code in the form of an API, helps to ameliorate such effects. The FT algorithm has also been implemented in FLASH and we use this to study the effect that divots can have on the hot spot properties.

A Novel Multi-Scale Domain Overlapping CFD/STH Coupling Methodology for Multi-Dimensional Flows Relevant to Nuclear Applications

NASA Astrophysics Data System (ADS)

Grunloh, Timothy P.

The objective of this dissertation is to develop a 3-D domain-overlapping coupling method that leverages the superior flow field resolution of the Computational Fluid Dynamics (CFD) code STAR-CCM+ and the fast execution of the System Thermal Hydraulic (STH) code TRACE to efficiently and accurately model thermal hydraulic transport properties in nuclear power plants under complex conditions of regulatory and economic importance. The primary contribution is the novel Stabilized Inertial Domain Overlapping (SIDO) coupling method, which allows for on-the-fly correction of TRACE solutions for local pressures and velocity profiles inside multi-dimensional regions based on the results of the CFD simulation. The method is found to outperform the more frequently-used domain decomposition coupling methods. An STH code such as TRACE is designed to simulate large, diverse component networks, requiring simplifications to the fluid flow equations for reasonable execution times. Empirical correlations are therefore required for many sub-grid processes. The coarse grids used by TRACE diminish sensitivity to small scale geometric details such as Reactor Pressure Vessel (RPV) internals. A CFD code such as STAR-CCM+ uses much finer computational meshes that are sensitive to the geometric details of reactor internals. In turbulent flows, it is infeasible to fully resolve the flow solution, but the correlations used to model turbulence are at a low level. The CFD code can therefore resolve smaller scale flow processes. The development of a 3-D coupling method was carried out with the intention of improving predictive capabilities of transport properties in the downcomer and lower plenum regions of an RPV in reactor safety calculations. These regions are responsible for the multi-dimensional mixing effects that determine the distribution at the core inlet of quantities with reactivity implications, such as fluid temperature and dissolved neutron absorber concentration.

The MCNP6 Analytic Criticality Benchmark Suite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, Forrest B.

2016-06-16

Analytical benchmarks provide an invaluable tool for verifying computer codes used to simulate neutron transport. Several collections of analytical benchmark problems [1-4] are used routinely in the verification of production Monte Carlo codes such as MCNP® [5,6]. Verification of a computer code is a necessary prerequisite to the more complex validation process. The verification process confirms that a code performs its intended functions correctly. The validation process involves determining the absolute accuracy of code results vs. nature. In typical validations, results are computed for a set of benchmark experiments using a particular methodology (code, cross-section data with uncertainties, and modeling)more » and compared to the measured results from the set of benchmark experiments. The validation process determines bias, bias uncertainty, and possibly additional margins. Verification is generally performed by the code developers, while validation is generally performed by code users for a particular application space. The VERIFICATION_KEFF suite of criticality problems [1,2] was originally a set of 75 criticality problems found in the literature for which exact analytical solutions are available. Even though the spatial and energy detail is necessarily limited in analytical benchmarks, typically to a few regions or energy groups, the exact solutions obtained can be used to verify that the basic algorithms, mathematics, and methods used in complex production codes perform correctly. The present work has focused on revisiting this benchmark suite. A thorough review of the problems resulted in discarding some of them as not suitable for MCNP benchmarking. For the remaining problems, many of them were reformulated to permit execution in either multigroup mode or in the normal continuous-energy mode for MCNP. Execution of the benchmarks in continuous-energy mode provides a significant advance to MCNP verification methods.« less

Solution of the Burnett equations for hypersonic flows near the continuum limit

NASA Technical Reports Server (NTRS)

Imlay, Scott T.

1992-01-01

The INCA code, a three-dimensional Navier-Stokes code for analysis of hypersonic flowfields, was modified to analyze the lower reaches of the continuum transition regime, where the Navier-Stokes equations become inaccurate and Monte Carlo methods become too computationally expensive. The two-dimensional Burnett equations and the three-dimensional rotational energy transport equation were added to the code and one- and two-dimensional calculations were performed. For the structure of normal shock waves, the Burnett equations give consistently better results than Navier-Stokes equations and compare reasonably well with Monte Carlo methods. For two-dimensional flow of Nitrogen past a circular cylinder the Burnett equations predict the total drag reasonably well. Care must be taken, however, not to exceed the range of validity of the Burnett equations.

Tough2{_}MP: A parallel version of TOUGH2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Keni; Wu, Yu-Shu; Ding, Chris

2003-04-09

TOUGH2{_}MP is a massively parallel version of TOUGH2. It was developed for running on distributed-memory parallel computers to simulate large simulation problems that may not be solved by the standard, single-CPU TOUGH2 code. The new code implements an efficient massively parallel scheme, while preserving the full capacity and flexibility of the original TOUGH2 code. The new software uses the METIS software package for grid partitioning and AZTEC software package for linear-equation solving. The standard message-passing interface is adopted for communication among processors. Numerical performance of the current version code has been tested on CRAY-T3E and IBM RS/6000 SP platforms. Inmore » addition, the parallel code has been successfully applied to real field problems of multi-million-cell simulations for three-dimensional multiphase and multicomponent fluid and heat flow, as well as solute transport. In this paper, we will review the development of the TOUGH2{_}MP, and discuss the basic features, modules, and their applications.« less

ELEFANT: a user-friendly multipurpose geodynamics code

NASA Astrophysics Data System (ADS)

Thieulot, C.

2014-07-01

A new finite element code for the solution of the Stokes and heat transport equations is presented. It has purposely been designed to address geological flow problems in two and three dimensions at crustal and lithospheric scales. The code relies on the Marker-in-Cell technique and Lagrangian markers are used to track materials in the simulation domain which allows recording of the integrated history of deformation; their (number) density is variable and dynamically adapted. A variety of rheologies has been implemented including nonlinear thermally activated dislocation and diffusion creep and brittle (or plastic) frictional models. The code is built on the Arbitrary Lagrangian Eulerian kinematic description: the computational grid deforms vertically and allows for a true free surface while the computational domain remains of constant width in the horizontal direction. The solution to the large system of algebraic equations resulting from the finite element discretisation and linearisation of the set of coupled partial differential equations to be solved is obtained by means of the efficient parallel direct solver MUMPS whose performance is thoroughly tested, or by means of the WISMP and AGMG iterative solvers. The code accuracy is assessed by means of many geodynamically relevant benchmark experiments which highlight specific features or algorithms, e.g., the implementation of the free surface stabilisation algorithm, the (visco-)plastic rheology implementation, the temperature advection, the capacity of the code to handle large viscosity contrasts. A two-dimensional application to salt tectonics presented as case study illustrates the potential of the code to model large scale high resolution thermo-mechanically coupled free surface flows.

Transonic Drag Prediction on a DLR-F6 Transport Configuration Using Unstructured Grid Solvers

NASA Technical Reports Server (NTRS)

Lee-Rausch, E. M.; Frink, N. T.; Mavriplis, D. J.; Rausch, R. D.; Milholen, W. E.

2004-01-01

A second international AIAA Drag Prediction Workshop (DPW-II) was organized and held in Orlando Florida on June 21-22, 2003. The primary purpose was to inves- tigate the code-to-code uncertainty. address the sensitivity of the drag prediction to grid size and quantify the uncertainty in predicting nacelle/pylon drag increments at a transonic cruise condition. This paper presents an in-depth analysis of the DPW-II computational results from three state-of-the-art unstructured grid Navier-Stokes flow solvers exercised on similar families of tetrahedral grids. The flow solvers are USM3D - a tetrahedral cell-centered upwind solver. FUN3D - a tetrahedral node-centered upwind solver, and NSU3D - a general element node-centered central-differenced solver. For the wingbody, the total drag predicted for a constant-lift transonic cruise condition showed a decrease in code-to-code variation with grid refinement as expected. For the same flight condition, the wing/body/nacelle/pylon total drag and the nacelle/pylon drag increment predicted showed an increase in code-to-code variation with grid refinement. Although the range in total drag for the wingbody fine grids was only 5 counts, a code-to-code comparison of surface pressures and surface restricted streamlines indicated that the three solvers were not all converging to the same flow solutions- different shock locations and separation patterns were evident. Similarly, the wing/body/nacelle/pylon solutions did not appear to be converging to the same flow solutions. Overall, grid refinement did not consistently improve the correlation with experimental data for either the wingbody or the wing/body/nacelle pylon configuration. Although the absolute values of total drag predicted by two of the solvers for the medium and fine grids did not compare well with the experiment, the incremental drag predictions were within plus or minus 3 counts of the experimental data. The correlation with experimental incremental drag was not significantly changed by specifying transition. Although the sources of code-to-code variation in force and moment predictions for the three unstructured grid codes have not yet been identified, the current study reinforces the necessity of applying multiple codes to the same application to assess uncertainty.

Description of Transport Codes for Space Radiation Shielding

NASA Technical Reports Server (NTRS)

Kim, Myung-Hee Y.; Wilson, John W.; Cucinotta, Francis A.

2011-01-01

This slide presentation describes transport codes and their use for studying and designing space radiation shielding. When combined with risk projection models radiation transport codes serve as the main tool for study radiation and designing shielding. There are three criteria for assessing the accuracy of transport codes: (1) Ground-based studies with defined beams and material layouts, (2) Inter-comparison of transport code results for matched boundary conditions and (3) Comparisons to flight measurements. These three criteria have a very high degree with NASA's HZETRN/QMSFRG.

Study of coherent synchrotron radiation effects by means of a new simulation code based on the non-linear extension of the operator splitting method

NASA Astrophysics Data System (ADS)

Dattoli, G.; Migliorati, M.; Schiavi, A.

2007-05-01

The coherent synchrotron radiation (CSR) is one of the main problems limiting the performance of high-intensity electron accelerators. The complexity of the physical mechanisms underlying the onset of instabilities due to CSR demands for accurate descriptions, capable of including the large number of features of an actual accelerating device. A code devoted to the analysis of these types of problems should be fast and reliable, conditions that are usually hardly achieved at the same time. In the past, codes based on Lie algebraic techniques have been very efficient to treat transport problems in accelerators. The extension of these methods to the non-linear case is ideally suited to treat CSR instability problems. We report on the development of a numerical code, based on the solution of the Vlasov equation, with the inclusion of non-linear contribution due to wake field effects. The proposed solution method exploits an algebraic technique that uses the exponential operators. We show that the integration procedure is capable of reproducing the onset of instability and the effects associated with bunching mechanisms leading to the growth of the instability itself. In addition, considerations on the threshold of the instability are also developed.

Improved Convergence Rate of Multi-Group Scattering Moment Tallies for Monte Carlo Neutron Transport Codes

NASA Astrophysics Data System (ADS)

Nelson, Adam

Multi-group scattering moment matrices are critical to the solution of the multi-group form of the neutron transport equation, as they are responsible for describing the change in direction and energy of neutrons. These matrices, however, are difficult to correctly calculate from the measured nuclear data with both deterministic and stochastic methods. Calculating these parameters when using deterministic methods requires a set of assumptions which do not hold true in all conditions. These quantities can be calculated accurately with stochastic methods, however doing so is computationally expensive due to the poor efficiency of tallying scattering moment matrices. This work presents an improved method of obtaining multi-group scattering moment matrices from a Monte Carlo neutron transport code. This improved method of tallying the scattering moment matrices is based on recognizing that all of the outgoing particle information is known a priori and can be taken advantage of to increase the tallying efficiency (therefore reducing the uncertainty) of the stochastically integrated tallies. In this scheme, the complete outgoing probability distribution is tallied, supplying every one of the scattering moment matrices elements with its share of data. In addition to reducing the uncertainty, this method allows for the use of a track-length estimation process potentially offering even further improvement to the tallying efficiency. Unfortunately, to produce the needed distributions, the probability functions themselves must undergo an integration over the outgoing energy and scattering angle dimensions. This integration is too costly to perform during the Monte Carlo simulation itself and therefore must be performed in advance by way of a pre-processing code. The new method increases the information obtained from tally events and therefore has a significantly higher efficiency than the currently used techniques. The improved method has been implemented in a code system containing a new pre-processor code, NDPP, and a Monte Carlo neutron transport code, OpenMC. This method is then tested in a pin cell problem and a larger problem designed to accentuate the importance of scattering moment matrices. These tests show that accuracy was retained while the figure-of-merit for generating scattering moment matrices and fission energy spectra was significantly improved.

PROTEUS-SN User Manual

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shemon, Emily R.; Smith, Micheal A.; Lee, Changho

2016-02-16

PROTEUS-SN is a three-dimensional, highly scalable, high-fidelity neutron transport code developed at Argonne National Laboratory. The code is applicable to all spectrum reactor transport calculations, particularly those in which a high degree of fidelity is needed either to represent spatial detail or to resolve solution gradients. PROTEUS-SN solves the second order formulation of the transport equation using the continuous Galerkin finite element method in space, the discrete ordinates approximation in angle, and the multigroup approximation in energy. PROTEUS-SN’s parallel methodology permits the efficient decomposition of the problem by both space and angle, permitting large problems to run efficiently on hundredsmore » of thousands of cores. PROTEUS-SN can also be used in serial or on smaller compute clusters (10’s to 100’s of cores) for smaller homogenized problems, although it is generally more computationally expensive than traditional homogenized methodology codes. PROTEUS-SN has been used to model partially homogenized systems, where regions of interest are represented explicitly and other regions are homogenized to reduce the problem size and required computational resources. PROTEUS-SN solves forward and adjoint eigenvalue problems and permits both neutron upscattering and downscattering. An adiabatic kinetics option has recently been included for performing simple time-dependent calculations in addition to standard steady state calculations. PROTEUS-SN handles void and reflective boundary conditions. Multigroup cross sections can be generated externally using the MC2-3 fast reactor multigroup cross section generation code or internally using the cross section application programming interface (API) which can treat the subgroup or resonance table libraries. PROTEUS-SN is written in Fortran 90 and also includes C preprocessor definitions. The code links against the PETSc, METIS, HDF5, and MPICH libraries. It optionally links against the MOAB library and is a part of the SHARP multi-physics suite for coupled multi-physics analysis of nuclear reactors. This user manual describes how to set up a neutron transport simulation with the PROTEUS-SN code. A companion methodology manual describes the theory and algorithms within PROTEUS-SN.« less

Application of ARC/INFO to regional scale hydrogeologic modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wurstner, S.K.; McWethy, G.; Devary, J.L.

1993-05-01

Geographic Information Systems (GIS) can be a useful tool in data preparation for groundwater flow modeling, especially when studying large regional systems. ARC/INFO is being used in conjunction with GRASS to support data preparation for input to the CFEST (Coupled Fluid, Energy, and Solute Transport) groundwater modeling code. Simulations will be performed with CFEST to model three-dimensional, regional, groundwater flow in the West Siberian Basin.

Bio-Fluid Transport Models Through Nano and Micro-Fluidic Components

DTIC Science & Technology

2005-08-01

nm of the wall in steady electroosmotic flow with good accuracy. The nPIV data were in excellent agreement with the model predictions for monovalent...first experimental probe inside the electric double layer in electroosmotic flow of an aqueous electrolyte solution. 15. NUMBER OF PAGES 225 14...SUBJECT TERMS Micro And Nanofluidics, Electroosmotic Flow, Nano Particle Image Velocimetry 16. PRICE CODE 17. SECURITY CLASSIFICATION OF REPORT

Neoclassical, semi-collisional tearing mode theory in an axisymmetric torus

NASA Astrophysics Data System (ADS)

Connor, J. W.; Hastie, R. J.; Helander, P.

2017-12-01

A set of layer equations for determining the stability of semi-collisional tearing modes in an axisymmetric torus, incorporating neoclassical physics, in the small ion Larmor radius limit, is provided. These can be used as an inner layer module for inclusion in numerical codes that asymptotically match the layer to toroidal calculations of the tearing mode stability index, \\prime $ . They are more complete than in earlier work and comprise equations for the perturbed electron density and temperature, the ion temperature, Ampère's law and the vorticity equation, amounting to a twelvth-order set of radial differential equations. While the toroidal geometry is kept quite general when treating the classical and Pfirsch-Schlüter transport, parallel bootstrap current and semi-collisional physics, it is assumed that the fraction of trapped particles is small for the banana regime contribution. This is to justify the use of a model collision term when acting on the localised (in velocity space) solutions that remain after the Spitzer solutions have been exploited to account for the bulk of the passing distributions. In this respect, unlike standard neoclassical transport theory, the calculation involves the second Spitzer solution connected with a parallel temperature gradient, because this stability problem involves parallel temperature gradients that cannot occur in equilibrium toroidal transport theory. Furthermore, a calculation of the linearised neoclassical radial transport of toroidal momentum for general geometry is required to complete the vorticity equation. The solutions of the resulting set of equations do not match properly to the ideal magnetohydrodynamic (MHD) equations at large distances from the layer, and a further, intermediate layer involving ion corrections to the electrical conductivity and ion parallel thermal transport is invoked to achieve this matching and allow one to correctly calculate the layer \\prime $ .

Root Water Uptake and Tracer Transport in a Lupin Root System: Integration of Magnetic Resonance Images and the Numerical Model RSWMS

NASA Astrophysics Data System (ADS)

Pohlmeier, Andreas; Vanderborght, Jan; Haber-Pohlmeier, Sabina; Wienke, Sandra; Vereecken, Harry; Javaux, Mathieu

2010-05-01

Combination of experimental studies with detailed deterministic models help understand root water uptake processes. Recently, Javaux et al. developed the RSWMS model by integration of Doussańs root model into the well established SWMS code[1], which simulates water and solute transport in unsaturated soil [2, 3]. In order to confront RSWMS modeling results to experimental data, we used Magnetic Resonance Imaging (MRI) technique to monitor root water uptake in situ. Non-invasive 3-D imaging of root system architecture, water content distributions and tracer transport by MR were performed and compared with numerical model calculations. Two MRI experiments were performed and modeled: i) water uptake during drought stress and ii) transport of a locally injected tracer (Gd-DTPA) to the soil-root system driven by root water uptake. Firstly, the high resolution MRI image (0.23x0.23x0.5mm) of the root system was transferred into a continuous root system skeleton by a combination of thresholding, region-growing filtering and final manual 3D redrawing of the root strands. Secondly, the two experimental scenarios were simulated by RSWMS with a resolution of about 3mm. For scenario i) the numerical simulations could reproduce the general trend that is the strong water depletion from the top layer of the soil. However, the creation of depletion zones in the vicinity of the roots could not be simulated, due to a poor initial evaluation of the soil hydraulic properties, which equilibrates instantaneously larger differences in water content. The determination of unsaturated conductivities at low water content was needed to improve the model calculations. For scenario ii) simulations confirmed the solute transport towards the roots by advection. 1. Simunek, J., T. Vogel, and M.T. van Genuchten, The SWMS_2D Code for Simulating Water Flow and Solute Transport in Two-Dimensional Variably Saturated Media. Version 1.21. 1994, U.S. Salinity Laboratory, USDA, ARS: Riverside, California. 2. Javaux, M., et al., Use of a Three-Dimensional Detailed Modeling Approach for Predicting Root Water Uptake. Vadose Zone J., 2008. 7(3): p. 1079-1088. 3. Schröder, T., et al., Effect of Local Soil Hydraulic Conductivity Drop Using a Three Dimensional Root Water Uptake Model. Vadose Zone J., 2008. 7(3): p. 1089-1098.

An efficient numerical solution of the transient storage equations for solute transport in small streams

USGS Publications Warehouse

Runkel, Robert L.; Chapra, Steven C.

1993-01-01

Several investigators have proposed solute transport models that incorporate the effects of transient storage. Transient storage occurs in small streams when portions of the transported solute become isolated in zones of water that are immobile relative to water in the main channel (e.g., pools, gravel beds). Transient storage is modeled by adding a storage term to the advection-dispersion equation describing conservation of mass for the main channel. In addition, a separate mass balance equation is written for the storage zone. Although numerous applications of the transient storage equations may be found in the literature, little attention has been paid to the numerical aspects of the approach. Of particular interest is the coupled nature of the equations describing mass conservation for the main channel and the storage zone. In the work described herein, an implicit finite difference technique is developed that allows for a decoupling of the governing differential equations. This decoupling method may be applied to other sets of coupled equations such as those describing sediment-water interactions for toxic contaminants. For the case at hand, decoupling leads to a 50% reduction in simulation run time. Computational costs may be further reduced through efficient application of the Thomas algorithm. These techniques may be easily incorporated into existing codes and new applications in which simulation run time is of concern.

Los Alamos radiation transport code system on desktop computing platforms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Briesmeister, J.F.; Brinkley, F.W.; Clark, B.A.

The Los Alamos Radiation Transport Code System (LARTCS) consists of state-of-the-art Monte Carlo and discrete ordinates transport codes and data libraries. These codes were originally developed many years ago and have undergone continual improvement. With a large initial effort and continued vigilance, the codes are easily portable from one type of hardware to another. The performance of scientific work-stations (SWS) has evolved to the point that such platforms can be used routinely to perform sophisticated radiation transport calculations. As the personal computer (PC) performance approaches that of the SWS, the hardware options for desk-top radiation transport calculations expands considerably. Themore » current status of the radiation transport codes within the LARTCS is described: MCNP, SABRINA, LAHET, ONEDANT, TWODANT, TWOHEX, and ONELD. Specifically, the authors discuss hardware systems on which the codes run and present code performance comparisons for various machines.« less

Mapping the membrane proteome of anaerobic gut fungi identifies a wealth of carbohydrate binding proteins and transporters

DOE PAGES

Seppala, Susanna; Solomon, Kevin V.; Gilmore, Sean P.; ...

2016-12-20

Here, engineered cell factories that convert biomass into value-added compounds are emerging as a timely alternative to petroleum-based industries. Although often overlooked, integral membrane proteins such as solute transporters are pivotal for engineering efficient microbial chassis. Anaerobic gut fungi, adapted to degrade raw plant biomass in the intestines of herbivores, are a potential source of valuable transporters for biotechnology, yet very little is known about the membrane constituents of these non-conventional organisms. Here, we mined the transcriptome of three recently isolated strains of anaerobic fungi to identify membrane proteins responsible for sensing and transporting biomass hydrolysates within a competitive andmore » rather extreme environment. Using sequence analyses and homology, we identified membrane protein-coding sequences from assembled transcriptomes from three strains of anaerobic gut fungi: Neocallimastix californiae, Anaeromyces robustus, and Piromyces finnis. We identified nearly 2000 transporter components: about half of these are involved in the general secretory pathway and intracellular sorting of proteins; the rest are predicted to be small-solute transporters. Unexpectedly, we found a number of putative sugar binding proteins that are associated with prokaryotic uptake systems; and approximately 100 class C G-protein coupled receptors (GPCRs) with non-canonical putative sugar binding domains. In conclusion, we report the first comprehensive characterization of the membrane protein machinery of biotechnologically relevant anaerobic gut fungi. Apart from identifying conserved machinery for protein sorting and secretion, we identify a large number of putative solute transporters that are of interest for biotechnological applications. Notably, our data suggests that the fungi display a plethora of carbohydrate binding domains at their surface, perhaps as a means to sense and sequester some of the sugars that their biomass degrading, extracellular enzymes produce.« less

Mapping the membrane proteome of anaerobic gut fungi identifies a wealth of carbohydrate binding proteins and transporters.

PubMed

Seppälä, Susanna; Solomon, Kevin V; Gilmore, Sean P; Henske, John K; O'Malley, Michelle A

2016-12-20

Engineered cell factories that convert biomass into value-added compounds are emerging as a timely alternative to petroleum-based industries. Although often overlooked, integral membrane proteins such as solute transporters are pivotal for engineering efficient microbial chassis. Anaerobic gut fungi, adapted to degrade raw plant biomass in the intestines of herbivores, are a potential source of valuable transporters for biotechnology, yet very little is known about the membrane constituents of these non-conventional organisms. Here, we mined the transcriptome of three recently isolated strains of anaerobic fungi to identify membrane proteins responsible for sensing and transporting biomass hydrolysates within a competitive and rather extreme environment. Using sequence analyses and homology, we identified membrane protein-coding sequences from assembled transcriptomes from three strains of anaerobic gut fungi: Neocallimastix californiae, Anaeromyces robustus, and Piromyces finnis. We identified nearly 2000 transporter components: about half of these are involved in the general secretory pathway and intracellular sorting of proteins; the rest are predicted to be small-solute transporters. Unexpectedly, we found a number of putative sugar binding proteins that are associated with prokaryotic uptake systems; and approximately 100 class C G-protein coupled receptors (GPCRs) with non-canonical putative sugar binding domains. We report the first comprehensive characterization of the membrane protein machinery of biotechnologically relevant anaerobic gut fungi. Apart from identifying conserved machinery for protein sorting and secretion, we identify a large number of putative solute transporters that are of interest for biotechnological applications. Notably, our data suggests that the fungi display a plethora of carbohydrate binding domains at their surface, perhaps as a means to sense and sequester some of the sugars that their biomass degrading, extracellular enzymes produce.

PolyPole-1: An accurate numerical algorithm for intra-granular fission gas release

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pizzocri, D.; Rabiti, C.; Luzzi, L.

2016-09-01

This paper describes the development of a new numerical algorithm (called PolyPole-1) to efficiently solve the equation for intra-granular fission gas release in nuclear fuel. The work was carried out in collaboration with Politecnico di Milano and Institute for Transuranium Elements. The PolyPole-1 algorithms is being implemented in INL's fuels code BISON code as part of BISON's fission gas release model. The transport of fission gas from within the fuel grains to the grain boundaries (intra-granular fission gas release) is a fundamental controlling mechanism of fission gas release and gaseous swelling in nuclear fuel. Hence, accurate numerical solution of themore » corresponding mathematical problem needs to be included in fission gas behaviour models used in fuel performance codes. Under the assumption of equilibrium between trapping and resolution, the process can be described mathematically by a single diffusion equation for the gas atom concentration in a grain. In this work, we propose a new numerical algorithm (PolyPole-1) to efficiently solve the fission gas diffusion equation in time-varying conditions. The PolyPole-1 algorithm is based on the analytic modal solution of the diffusion equation for constant conditions, with the addition of polynomial corrective terms that embody the information on the deviation from constant conditions. The new algorithm is verified by comparing the results to a finite difference solution over a large number of randomly generated operation histories. Furthermore, comparison to state-of-the-art algorithms used in fuel performance codes demonstrates that the accuracy of the PolyPole-1 solution is superior to other algorithms, with similar computational effort. Finally, the concept of PolyPole-1 may be extended to the solution of the general problem of intra-granular fission gas diffusion during non-equilibrium trapping and resolution, which will be the subject of future work.« less

Description and Verification of a Novel Flow and Transport Model for Silicate-Gel Emplacement

NASA Astrophysics Data System (ADS)

Walther, M.; Solpuker, U.; Böttcher, N.; Kolditz, O.; Liedl, R.; Schwartz, F. W.

2013-12-01

Remediation of contamination is one of the basic tasks associated with groundwater management. While many different methods exist to reduce contaminant mass in situ, there is still a need for research on new approaches to significantly speed-up decontamination and to lower costs. Solpuker et al. (2012) describe flow-tank experiments that utilize dense, viscous silicate solutions to aid in the remediation process. The unique silicate solutions exhibit density-dependent flow and rapid gelation after some time that can be altered by adjusting the solute's composition. Based on the experiments, a novel approach was developed to simulate the behaviour of the rapidly gelating solute. The approach was implenented in the open-source software package OpenGeoSys (Kolditz et al. 2012). Specifically, the method involves simulating two mass transport processes: one is related to the density-dependent flow, while the other does not alter the fluid density but is designed to provide a first order decay process. While both concentrations are subject to standard mass transport processes (i.e. advection, dispersion, diffusion), the difference in the two concentrations yields information on the residence time of the injected solute. This information can be used to calculate the fluid viscosity and the appropriate change in fluid properties when gelation takes place. As with all models that involve the implementation of ';new' physics, it is crucial to verify the ability of the code to rigorously reproduce the vital processes that describe the movement of fluids and solutes. This step is particularly important here because such a density-dependent, viscosity-changing flow and transport process poses unique requirements in terms of stability for the numerical code. Therefore, our theoretical approach was verified successfully against the experimental data for three different gelation behaviors. Comparison of both, laboratory and numerical results, show that the key processes can be reproduced correctly, including e.g. persistence of solute in regions of gelation due to high viscosity, or concentration-dependent gelation. Further research is needed to relate the empirical parameters describing the viscosity-change function to measurable laboratory data, or to study field-scale implementations. Literature SOLPUKER, U., HAWKINS, J., SCHINCARIOL, R., IBARAKI, M., & SCHWARTZ, F. W. (2012). HARNESSING THE COMPLEX BEHAVIOR OF ULTRA-DENSE AND VISCOUS TREATMENT FLUIDS AS A STRATEGY FOR AQUIFER REMEDIATION. MODELS - REPOSITORIES OF KNOWLEDGE. MODELCARE2011, LEIPZIG, GERMANY. KOLDITZ, O., BAUER, S., BILKE, L., BÖTTCHER, N., DELFS, J. O., FISCHER, T., GÖRKE, U. J., ET AL. (2012). OPENGEOSYS: AN OPEN-SOURCE INITIATIVE FOR NUMERICAL SIMULATION OF THERMO-HYDRO-MECHANICAL/CHEMICAL (THM/C) PROCESSES IN POROUS MEDIA. ENVIRONMENTAL EARTH SCIENCES, 67(2), 589-599. DOI:10.1007/S12665-012-1546-X

Coulombic interactions during advection-dominated transport of ions in porous media

NASA Astrophysics Data System (ADS)

Muniruzzaman, Muhammad; Stolze, Lucien; Rolle, Massimo

2017-04-01

Solute transport of charged species in porous media is significantly affected by the electrochemical migration term resulting from the charge-induced interactions among dissolved ions and with solid surfaces. Therefore, the characterization of such Coulombic interactions and their effect on multicomponent ionic transport is of critical importance for assessing the fate of charged solutes in porous media. In this work we present a detailed investigation of the electrochemical effects during conservative multicomponent ionic transport in homogeneous and heterogeneous domains by means of laboratory bench-scale experiments and numerical simulations. The investigation aims at quantifying the key role of small-scale electrostatic interactions in flow-through systems, especially when advection is the dominant mass-transfer process. Considering dilute solutions of strong electrolytes (e.g., MgCl2 and NaBr) we report results showing the important role of Coulombic interactions in the lateral displacement of the different ionic species for steady-state transport scenarios in which the solutions are continuously injected through different portions of the flow-through chamber [1, 2]. Successively, we focus our attention on transient transport and pulse injection of the electrolytes. In these experiments high-resolution spatial and temporal monitoring of the ions' concentrations (600 samples; 1800 concentration measurements), at closely spaced outlet ports (5 mm), allowed us resolving the effects of charge interactions on the temporal breakthrough and spatial profiles of the cations and anions [3]. The interpretation of the experimental results requires a multicomponent modeling approach with an accurate description of local hydrodynamic dispersion, as well as the explicit quantification of the dispersive fluxes' cross-coupling due to the Coulombic interactions between the charged species. A new 2-D simulator [4], coupling the solution of the multicomponent ionic transport problem with the geochemical code PHREEQC has been developed and used to quantitatively interpret the experimental results. References [1] Rolle M., Muniruzzaman M., Haberer C.M. and P. Grathwohl (2013). Geochim. Cosmochim. Acta 120, 195-205. [2] Muniruzzaman M., Haberer C.M., Grathwohl P. and M. Rolle (2014). Geochim. Cosmochim. Acta 141, 656-669. [3] Muniruzzaman M. and M. Rolle (2017). Water Resour. Res. (in press). [4] Muniruzzaman M. and M. Rolle (2016). Adv. Water Resour. 98, 1-15.

Monte Carlo simulation of portal dosimetry on a rectilinear voxel geometry: a variable gantry angle solution.

PubMed

Chin, P W; Spezi, E; Lewis, D G

2003-08-21

A software solution has been developed to carry out Monte Carlo simulations of portal dosimetry using the BEAMnrc/DOSXYZnrc code at oblique gantry angles. The solution is based on an integrated phantom, whereby the effect of incident beam obliquity was included using geometric transformations. Geometric transformations are accurate within +/- 1 mm and +/- 1 degrees with respect to exact values calculated using trigonometry. An application in portal image prediction of an inhomogeneous phantom demonstrated good agreement with measured data, where the root-mean-square of the difference was under 2% within the field. Thus, we achieved a dose model framework capable of handling arbitrary gantry angles, voxel-by-voxel phantom description and realistic particle transport throughout the geometry.

A velocity-dependent anomalous radial transport model for (2-D, 2-V) kinetic transport codes

NASA Astrophysics Data System (ADS)

Bodi, Kowsik; Krasheninnikov, Sergei; Cohen, Ron; Rognlien, Tom

2008-11-01

Plasma turbulence constitutes a significant part of radial plasma transport in magnetically confined plasmas. This turbulent transport is modeled in the form of anomalous convection and diffusion coefficients in fluid transport codes. There is a need to model the same in continuum kinetic edge codes [such as the (2-D, 2-V) transport version of TEMPEST, NEO, and the code being developed by the Edge Simulation Laboratory] with non-Maxwellian distributions. We present an anomalous transport model with velocity-dependent convection and diffusion coefficients leading to a diagonal transport matrix similar to that used in contemporary fluid transport models (e.g., UEDGE). Also presented are results of simulations corresponding to radial transport due to long-wavelength ExB turbulence using a velocity-independent diffusion coefficient. A BGK collision model is used to enable comparison with fluid transport codes.

SeSBench - An initiative to benchmark reactive transport models for environmental subsurface processes

NASA Astrophysics Data System (ADS)

Jacques, Diederik

2017-04-01

As soil functions are governed by a multitude of interacting hydrological, geochemical and biological processes, simulation tools coupling mathematical models for interacting processes are needed. Coupled reactive transport models are a typical example of such coupled tools mainly focusing on hydrological and geochemical coupling (see e.g. Steefel et al., 2015). Mathematical and numerical complexity for both the tool itself or of the specific conceptual model can increase rapidly. Therefore, numerical verification of such type of models is a prerequisite for guaranteeing reliability and confidence and qualifying simulation tools and approaches for any further model application. In 2011, a first SeSBench -Subsurface Environmental Simulation Benchmarking- workshop was held in Berkeley (USA) followed by four other ones. The objective is to benchmark subsurface environmental simulation models and methods with a current focus on reactive transport processes. The final outcome was a special issue in Computational Geosciences (2015, issue 3 - Reactive transport benchmarks for subsurface environmental simulation) with a collection of 11 benchmarks. Benchmarks, proposed by the participants of the workshops, should be relevant for environmental or geo-engineering applications; the latter were mostly related to radioactive waste disposal issues - excluding benchmarks defined for pure mathematical reasons. Another important feature is the tiered approach within a benchmark with the definition of a single principle problem and different sub problems. The latter typically benchmarked individual or simplified processes (e.g. inert solute transport, simplified geochemical conceptual model) or geometries (e.g. batch or one-dimensional, homogeneous). Finally, three codes should be involved into a benchmark. The SeSBench initiative contributes to confidence building for applying reactive transport codes. Furthermore, it illustrates the use of those type of models for different environmental and geo-engineering applications. SeSBench will organize new workshops to add new benchmarks in a new special issue. Steefel, C. I., et al. (2015). "Reactive transport codes for subsurface environmental simulation." Computational Geosciences 19: 445-478.

Numerical Analysis of 2-D and 3-D MHD Flows Relevant to Fusion Applications

DOE PAGES

Khodak, Andrei

2017-08-21

Here, the analysis of many fusion applications such as liquid-metal blankets requires application of computational fluid dynamics (CFD) methods for electrically conductive liquids in geometrically complex regions and in the presence of a strong magnetic field. A current state of the art general purpose CFD code allows modeling of the flow in complex geometric regions, with simultaneous conjugated heat transfer analysis in liquid and surrounding solid parts. Together with a magnetohydrodynamics (MHD) capability, the general purpose CFD code will be a valuable tool for the design and optimization of fusion devices. This paper describes an introduction of MHD capability intomore » the general purpose CFD code CFX, part of the ANSYS Workbench. The code was adapted for MHD problems using a magnetic induction approach. CFX allows introduction of user-defined variables using transport or Poisson equations. For MHD adaptation of the code three additional transport equations were introduced for the components of the magnetic field, in addition to the Poisson equation for electric potential. The Lorentz force is included in the momentum transport equation as a source term. Fusion applications usually involve very strong magnetic fields, with values of the Hartmann number of up to tens of thousands. In this situation a system of MHD equations become very rigid with very large source terms and very strong variable gradients. To increase system robustness, special measures were introduced during the iterative convergence process, such as linearization using source coefficient for momentum equations. The MHD implementation in general purpose CFD code was tested against benchmarks, specifically selected for liquid-metal blanket applications. Results of numerical simulations using present implementation closely match analytical solutions for a Hartmann number of up to 1500 for a 2-D laminar flow in the duct of square cross section, with conducting and nonconducting walls. Results for a 3-D test case are also included.« less

Numerical Analysis of 2-D and 3-D MHD Flows Relevant to Fusion Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khodak, Andrei

Here, the analysis of many fusion applications such as liquid-metal blankets requires application of computational fluid dynamics (CFD) methods for electrically conductive liquids in geometrically complex regions and in the presence of a strong magnetic field. A current state of the art general purpose CFD code allows modeling of the flow in complex geometric regions, with simultaneous conjugated heat transfer analysis in liquid and surrounding solid parts. Together with a magnetohydrodynamics (MHD) capability, the general purpose CFD code will be a valuable tool for the design and optimization of fusion devices. This paper describes an introduction of MHD capability intomore » the general purpose CFD code CFX, part of the ANSYS Workbench. The code was adapted for MHD problems using a magnetic induction approach. CFX allows introduction of user-defined variables using transport or Poisson equations. For MHD adaptation of the code three additional transport equations were introduced for the components of the magnetic field, in addition to the Poisson equation for electric potential. The Lorentz force is included in the momentum transport equation as a source term. Fusion applications usually involve very strong magnetic fields, with values of the Hartmann number of up to tens of thousands. In this situation a system of MHD equations become very rigid with very large source terms and very strong variable gradients. To increase system robustness, special measures were introduced during the iterative convergence process, such as linearization using source coefficient for momentum equations. The MHD implementation in general purpose CFD code was tested against benchmarks, specifically selected for liquid-metal blanket applications. Results of numerical simulations using present implementation closely match analytical solutions for a Hartmann number of up to 1500 for a 2-D laminar flow in the duct of square cross section, with conducting and nonconducting walls. Results for a 3-D test case are also included.« less

SYMTRAN - A Time-dependent Symmetric Tandem Mirror Transport Code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hua, D; Fowler, T

2004-06-15

A time-dependent version of the steady-state radial transport model in symmetric tandem mirrors in Ref. [1] has been coded up and first tests performed. Our code, named SYMTRAN, is an adaptation of the earlier SPHERE code for spheromaks, now modified for tandem mirror physics. Motivated by Post's new concept of kinetic stabilization of symmetric mirrors, it is an extension of the earlier TAMRAC rate-equation code omitting radial transport [2], which successfully accounted for experimental results in TMX. The SYMTRAN code differs from the earlier tandem mirror radial transport code TMT in that our code is focused on axisymmetric tandem mirrorsmore » and classical diffusion, whereas TMT emphasized non-ambipolar transport in TMX and MFTF-B due to yin-yang plugs and non-symmetric transitions between the plugs and axisymmetric center cell. Both codes exhibit interesting but different non-linear behavior.« less

Comparison of space radiation calculations for deterministic and Monte Carlo transport codes

NASA Astrophysics Data System (ADS)

Lin, Zi-Wei; Adams, James; Barghouty, Abdulnasser; Randeniya, Sharmalee; Tripathi, Ram; Watts, John; Yepes, Pablo

For space radiation protection of astronauts or electronic equipments, it is necessary to develop and use accurate radiation transport codes. Radiation transport codes include deterministic codes, such as HZETRN from NASA and UPROP from the Naval Research Laboratory, and Monte Carlo codes such as FLUKA, the Geant4 toolkit and HETC-HEDS. The deterministic codes and Monte Carlo codes complement each other in that deterministic codes are very fast while Monte Carlo codes are more elaborate. Therefore it is important to investigate how well the results of deterministic codes compare with those of Monte Carlo transport codes and where they differ. In this study we evaluate these different codes in their space radiation applications by comparing their output results in the same given space radiation environments, shielding geometry and material. Typical space radiation environments such as the 1977 solar minimum galactic cosmic ray environment are used as the well-defined input, and simple geometries made of aluminum, water and/or polyethylene are used to represent the shielding material. We then compare various outputs of these codes, such as the dose-depth curves and the flux spectra of different fragments and other secondary particles. These comparisons enable us to learn more about the main differences between these space radiation transport codes. At the same time, they help us to learn the qualitative and quantitative features that these transport codes have in common.

A 3DHZETRN Code in a Spherical Uniform Sphere with Monte Carlo Verification

NASA Technical Reports Server (NTRS)

Wilson, John W.; Slaba, Tony C.; Badavi, Francis F.; Reddell, Brandon D.; Bahadori, Amir A.

2014-01-01

The computationally efficient HZETRN code has been used in recent trade studies for lunar and Martian exploration and is currently being used in the engineering development of the next generation of space vehicles, habitats, and extra vehicular activity equipment. A new version (3DHZETRN) capable of transporting High charge (Z) and Energy (HZE) and light ions (including neutrons) under space-like boundary conditions with enhanced neutron and light ion propagation is under development. In the present report, new algorithms for light ion and neutron propagation with well-defined convergence criteria in 3D objects is developed and tested against Monte Carlo simulations to verify the solution methodology. The code will be available through the software system, OLTARIS, for shield design and validation and provides a basis for personal computer software capable of space shield analysis and optimization.

Development of deterministic transport methods for low energy neutrons for shielding in space

NASA Technical Reports Server (NTRS)

Ganapol, Barry

1993-01-01

Transport of low energy neutrons associated with the galactic cosmic ray cascade is analyzed in this dissertation. A benchmark quality analytical algorithm is demonstrated for use with BRYNTRN, a computer program written by the High Energy Physics Division of NASA Langley Research Center, which is used to design and analyze shielding against the radiation created by the cascade. BRYNTRN uses numerical methods to solve the integral transport equations for baryons with the straight-ahead approximation, and numerical and empirical methods to generate the interaction probabilities. The straight-ahead approximation is adequate for charged particles, but not for neutrons. As NASA Langley improves BRYNTRN to include low energy neutrons, a benchmark quality solution is needed for comparison. The neutron transport algorithm demonstrated in this dissertation uses the closed-form Green's function solution to the galactic cosmic ray cascade transport equations to generate a source of neutrons. A basis function expansion for finite heterogeneous and semi-infinite homogeneous slabs with multiple energy groups and isotropic scattering is used to generate neutron fluxes resulting from the cascade. This method, called the FN method, is used to solve the neutral particle linear Boltzmann transport equation. As a demonstration of the algorithm coded in the programs MGSLAB and MGSEMI, neutron and ion fluxes are shown for a beam of fluorine ions at 1000 MeV per nucleon incident on semi-infinite and finite aluminum slabs. Also, to demonstrate that the shielding effectiveness against the radiation from the galactic cosmic ray cascade is not directly proportional to shield thickness, a graph of transmitted total neutron scalar flux versus slab thickness is shown. A simple model based on the nuclear liquid drop assumption is used to generate cross sections for the galactic cosmic ray cascade. The ENDF/B V database is used to generate the total and scattering cross sections for neutrons in aluminum. As an external verification, the results from MGSLAB and MGSEMI were compared to ANISN/PC, a routinely used neutron transport code, showing excellent agreement. In an application to an aluminum shield, the FN method seems to generate reasonable results.

Tractable flux-driven temperature, density, and rotation profile evolution with the quasilinear gyrokinetic transport model QuaLiKiz

NASA Astrophysics Data System (ADS)

Citrin, J.; Bourdelle, C.; Casson, F. J.; Angioni, C.; Bonanomi, N.; Camenen, Y.; Garbet, X.; Garzotti, L.; Görler, T.; Gürcan, O.; Koechl, F.; Imbeaux, F.; Linder, O.; van de Plassche, K.; Strand, P.; Szepesi, G.; Contributors, JET

2017-12-01

Quasilinear turbulent transport models are a successful tool for prediction of core tokamak plasma profiles in many regimes. Their success hinges on the reproduction of local nonlinear gyrokinetic fluxes. We focus on significant progress in the quasilinear gyrokinetic transport model QuaLiKiz (Bourdelle et al 2016 Plasma Phys. Control. Fusion 58 014036), which employs an approximated solution of the mode structures to significantly speed up computation time compared to full linear gyrokinetic solvers. Optimisation of the dispersion relation solution algorithm within integrated modelling applications leads to flux calculations × {10}6-7 faster than local nonlinear simulations. This allows tractable simulation of flux-driven dynamic profile evolution including all transport channels: ion and electron heat, main particles, impurities, and momentum. Furthermore, QuaLiKiz now includes the impact of rotation and temperature anisotropy induced poloidal asymmetry on heavy impurity transport, important for W-transport applications. Application within the JETTO integrated modelling code results in 1 s of JET plasma simulation within 10 h using 10 CPUs. Simultaneous predictions of core density, temperature, and toroidal rotation profiles for both JET hybrid and baseline experiments are presented, covering both ion and electron turbulence scales. The simulations are successfully compared to measured profiles, with agreement mostly in the 5%-25% range according to standard figures of merit. QuaLiKiz is now open source and available at www.qualikiz.com.

Upgrades of Two Computer Codes for Analysis of Turbomachinery

NASA Technical Reports Server (NTRS)

Chima, Rodrick V.; Liou, Meng-Sing

2005-01-01

Major upgrades have been made in two of the programs reported in "ive Computer Codes for Analysis of Turbomachinery". The affected programs are: Swift -- a code for three-dimensional (3D) multiblock analysis; and TCGRID, which generates a 3D grid used with Swift. Originally utilizing only a central-differencing scheme for numerical solution, Swift was augmented by addition of two upwind schemes that give greater accuracy but take more computing time. Other improvements in Swift include addition of a shear-stress-transport turbulence model for better prediction of adverse pressure gradients, addition of an H-grid capability for flexibility in modeling flows in pumps and ducts, and modification to enable simultaneous modeling of hub and tip clearances. Improvements in TCGRID include modifications to enable generation of grids for more complicated flow paths and addition of an option to generate grids compatible with the ADPAC code used at NASA and in industry. For both codes, new test cases were developed and documentation was updated. Both codes were converted to Fortran 90, with dynamic memory allocation. Both codes were also modified for ease of use in both UNIX and Windows operating systems.

Modeling anomalous radial transport in kinetic transport codes

NASA Astrophysics Data System (ADS)

Bodi, K.; Krasheninnikov, S. I.; Cohen, R. H.; Rognlien, T. D.

2009-11-01

Anomalous transport is typically the dominant component of the radial transport in magnetically confined plasmas, where the physical origin of this transport is believed to be plasma turbulence. A model is presented for anomalous transport that can be used in continuum kinetic edge codes like TEMPEST, NEO and the next-generation code being developed by the Edge Simulation Laboratory. The model can also be adapted to particle-based codes. It is demonstrated that the model with a velocity-dependent diffusion and convection terms can match a diagonal gradient-driven transport matrix as found in contemporary fluid codes, but can also include off-diagonal effects. The anomalous transport model is also combined with particle drifts and a particle/energy-conserving Krook collision operator to study possible synergistic effects with neoclassical transport. For the latter study, a velocity-independent anomalous diffusion coefficient is used to mimic the effect of long-wavelength ExB turbulence.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seppala, Susanna; Solomon, Kevin V.; Gilmore, Sean P.

Here, engineered cell factories that convert biomass into value-added compounds are emerging as a timely alternative to petroleum-based industries. Although often overlooked, integral membrane proteins such as solute transporters are pivotal for engineering efficient microbial chassis. Anaerobic gut fungi, adapted to degrade raw plant biomass in the intestines of herbivores, are a potential source of valuable transporters for biotechnology, yet very little is known about the membrane constituents of these non-conventional organisms. Here, we mined the transcriptome of three recently isolated strains of anaerobic fungi to identify membrane proteins responsible for sensing and transporting biomass hydrolysates within a competitive andmore » rather extreme environment. Using sequence analyses and homology, we identified membrane protein-coding sequences from assembled transcriptomes from three strains of anaerobic gut fungi: Neocallimastix californiae, Anaeromyces robustus, and Piromyces finnis. We identified nearly 2000 transporter components: about half of these are involved in the general secretory pathway and intracellular sorting of proteins; the rest are predicted to be small-solute transporters. Unexpectedly, we found a number of putative sugar binding proteins that are associated with prokaryotic uptake systems; and approximately 100 class C G-protein coupled receptors (GPCRs) with non-canonical putative sugar binding domains. In conclusion, we report the first comprehensive characterization of the membrane protein machinery of biotechnologically relevant anaerobic gut fungi. Apart from identifying conserved machinery for protein sorting and secretion, we identify a large number of putative solute transporters that are of interest for biotechnological applications. Notably, our data suggests that the fungi display a plethora of carbohydrate binding domains at their surface, perhaps as a means to sense and sequester some of the sugars that their biomass degrading, extracellular enzymes produce.« less

Statistical Analysis of CFD Solutions from the Fourth AIAA Drag Prediction Workshop

NASA Technical Reports Server (NTRS)

Morrison, Joseph H.

2010-01-01

A graphical framework is used for statistical analysis of the results from an extensive N-version test of a collection of Reynolds-averaged Navier-Stokes computational fluid dynamics codes. The solutions were obtained by code developers and users from the U.S., Europe, Asia, and Russia using a variety of grid systems and turbulence models for the June 2009 4th Drag Prediction Workshop sponsored by the AIAA Applied Aerodynamics Technical Committee. The aerodynamic configuration for this workshop was a new subsonic transport model, the Common Research Model, designed using a modern approach for the wing and included a horizontal tail. The fourth workshop focused on the prediction of both absolute and incremental drag levels for wing-body and wing-body-horizontal tail configurations. This work continues the statistical analysis begun in the earlier workshops and compares the results from the grid convergence study of the most recent workshop with earlier workshops using the statistical framework.

A Comparison of Analytical and Numerical Methods for Modeling Dissolution and Other Reactions in Transport Limited Systems

NASA Astrophysics Data System (ADS)

Hochstetler, D. L.; Kitanidis, P. K.

2009-12-01

Modeling the transport of reactive species is a computationally demanding problem, especially in complex subsurface media, where it is crucial to improve understanding of geochemical processes and the fate of groundwater contaminants. In most of these systems, reactions are inherently fast and actual rates of transformations are limited by the slower physical transport mechanisms. There have been efforts to reformulate multi-component reactive transport problems into systems that are simpler and less demanding to solve. These reformulations include defining conservative species and decoupling of reactive transport equations so that fewer of them must be solved, leaving mostly conservative equations for transport [e.g., De Simoni et al., 2005; De Simoni et al., 2007; Kräutle and Knabner, 2007; Molins et al., 2004]. Complex and computationally cumbersome numerical codes used to solve such problems have also caused De Simoni et al. [2005] to develop more manageable analytical solutions. Furthermore, this work evaluates reaction rates and has reaffirmed that the mixing rate,▽TuD▽u, where u is a solute concentration and D is the dispersion tensor, as defined by Kitanidis [1994], is an important and sometimes dominant factor in determining reaction rates. Thus, mixing of solutions is often reaction-limiting. We will present results from analytical and computational modeling of multi-component reactive-transport problems. The results have applications to dissolution of solid boundaries (e.g., calcite), dissolution of non-aqueous phase liquids (NAPLs) in separate phases, and mixing of saltwater and freshwater (e.g. saltwater intrusion in coastal carbonate aquifers). We quantify reaction rates, compare numerical and analytical results, and analyze under what circumstances which approach is most effective for a given problem. References: DeSimoni, M., et al. (2005), A procedure for the solution of multicomponent reactive transport problems, Water Resources Research, 41(W11410). DeSimoni, M., et al. (2007), A mixing ratios-based formulation for multicomponent reactive transport, Water Resources Research, 43(W07419). Kitanidis, P. (1994), The Concept of the Dilution Index, Water Resources Research, 30(7), 2011-2026. Kräutle, S., and P. Knabner (2007), A reduction scheme for coupled multicomponent transport-reaction problems in porous media: Generalization to problems with heterogeneous equilibrium reactions Water Resources Research, 43. Molins, S., et al. (2004), A formulation for decoupling components in reactive transport porblems, Water Resources Research, 40, 13.

The analysis of a nonsimilar laminar boundary layer

NASA Technical Reports Server (NTRS)

Stalmach, D. D.; Bertin, J. J.

1978-01-01

A computer code is described which yields accurate solutions for a broad range of laminar, nonsimilar boundary layers, providing the inviscid flow field is known. The boundary layer may be subject to mass injection for perfect-gas, nonreacting flows. If no mass injection is present, the code can be used with either perfect-gas or real-gas thermodynamic models. Solutions, ranging from two-dimensional similarity solutions to solutions for the boundary layer on the Space Shuttle Orbiter during reentry conditions, have been obtained with the code. Comparisons of these solutions, and others, with solutions presented in the literature; and with solutions obtained from other codes, demonstrate the accuracy of the present code.

Simulation of variable-density flow and transport of reactive and nonreactive solutes during a tracer test at Cape Cod, Massachusetts

USGS Publications Warehouse

Zhang, Hubao; Schwartz, Frank W.; Wood, Warren W.; Garabedian, S.P.; LeBlanc, D.R.

1998-01-01

A multispecies numerical code was developed to simulate flow and mass transport with kinetic adsorption in variable-density flow systems. The two-dimensional code simulated the transport of bromide (Br−), a nonreactive tracer, and lithium (Li+), a reactive tracer, in a large-scale tracer test performed in a sand-and-gravel aquifer at Cape Cod, Massachusetts. A two-fraction kinetic adsorption model was implemented to simulate the interaction of Li+ with the aquifer solids. Initial estimates for some of the transport parameters were obtained from a nonlinear least squares curve-fitting procedure, where the breakthrough curves from column experiments were matched with one-dimensional theoretical models. The numerical code successfully simulated the basic characteristics of the two plumes in the tracer test. At early times the centers of mass of Br− and Li+ sank because the two plumes were closely coupled to the density-driven velocity field. At later times the rate of downward movement in the Br− plume due to gravity slowed significantly because of dilution by dispersion. The downward movement of the Li+ plume was negligible because the two plumes moved in locally different velocity regimes, where Li+ transport was retarded relative to Br−. The maximum extent of downward transport of the Li+ plume was less than that of the Br− plume. This study also found that at early times the downward movement of a plume created by a three-dimensional source could be much more extensive than the case with a two-dimensional source having the same cross-sectional area. The observed shape of the Br− plume at Cape Cod was simulated by adding two layers with different hydraulic conductivities at shallow depth across the region. The large dispersion and asymmetrical shape of the Li+ plume were simulated by including kinetic adsorption-desorption reactions.

A new numerical benchmark for variably saturated variable-density flow and transport in porous media

NASA Astrophysics Data System (ADS)

Guevara, Carlos; Graf, Thomas

2016-04-01

In subsurface hydrological systems, spatial and temporal variations in solute concentration and/or temperature may affect fluid density and viscosity. These variations could lead to potentially unstable situations, in which a dense fluid overlies a less dense fluid. These situations could produce instabilities that appear as dense plume fingers migrating downwards counteracted by vertical upwards flow of freshwater (Simmons et al., Transp. Porous Medium, 2002). As a result of unstable variable-density flow, solute transport rates are increased over large distances and times as compared to constant-density flow. The numerical simulation of variable-density flow in saturated and unsaturated media requires corresponding benchmark problems against which a computer model is validated (Diersch and Kolditz, Adv. Water Resour, 2002). Recorded data from a laboratory-scale experiment of variable-density flow and solute transport in saturated and unsaturated porous media (Simmons et al., Transp. Porous Medium, 2002) is used to define a new numerical benchmark. The HydroGeoSphere code (Therrien et al., 2004) coupled with PEST (www.pesthomepage.org) are used to obtain an optimized parameter set capable of adequately representing the data set by Simmons et al., (2002). Fingering in the numerical model is triggered using random hydraulic conductivity fields. Due to the inherent randomness, a large number of simulations were conducted in this study. The optimized benchmark model adequately predicts the plume behavior and the fate of solutes. This benchmark is useful for model verification of variable-density flow problems in saturated and/or unsaturated media.

CRUNCH_PARALLEL

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shumaker, Dana E.; Steefel, Carl I.

The code CRUNCH_PARALLEL is a parallel version of the CRUNCH code. CRUNCH code version 2.0 was previously released by LLNL, (UCRL-CODE-200063). Crunch is a general purpose reactive transport code developed by Carl Steefel and Yabusake (Steefel Yabsaki 1996). The code handles non-isothermal transport and reaction in one, two, and three dimensions. The reaction algorithm is generic in form, handling an arbitrary number of aqueous and surface complexation as well as mineral dissolution/precipitation. A standardized database is used containing thermodynamic and kinetic data. The code includes advective, dispersive, and diffusive transport.

Evaluation of RAPID for a UNF cask benchmark problem

NASA Astrophysics Data System (ADS)

Mascolino, Valerio; Haghighat, Alireza; Roskoff, Nathan J.

2017-09-01

This paper examines the accuracy and performance of the RAPID (Real-time Analysis for Particle transport and In-situ Detection) code system for the simulation of a used nuclear fuel (UNF) cask. RAPID is capable of determining eigenvalue, subcritical multiplication, and pin-wise, axially-dependent fission density throughout a UNF cask. We study the source convergence based on the analysis of the different parameters used in an eigenvalue calculation in the MCNP Monte Carlo code. For this study, we consider a single assembly surrounded by absorbing plates with reflective boundary conditions. Based on the best combination of eigenvalue parameters, a reference MCNP solution for the single assembly is obtained. RAPID results are in excellent agreement with the reference MCNP solutions, while requiring significantly less computation time (i.e., minutes vs. days). A similar set of eigenvalue parameters is used to obtain a reference MCNP solution for the whole UNF cask. Because of time limitation, the MCNP results near the cask boundaries have significant uncertainties. Except for these, the RAPID results are in excellent agreement with the MCNP predictions, and its computation time is significantly lower, 35 second on 1 core versus 9.5 days on 16 cores.

Resolving the Multi-scale Behavior of Geochemical Weathering in the Critical Zone Using High Resolution Hydro-geochemical Models

NASA Astrophysics Data System (ADS)

Pandey, S.; Rajaram, H.

2015-12-01

This work investigates hydrologic and geochemical interactions in the Critical Zone (CZ) using high-resolution reactive transport modeling. Reactive transport models can be used to predict the response of geochemical weathering and solute fluxes in the CZ to changes in a dynamic environment, such as those pertaining to human activities and climate change in recent years. The scales of hydrology and geochemistry in the CZ range from days to eons in time and centimeters to kilometers in space. Here, we present results of a multi-dimensional, multi-scale hydro-geochemical model to investigate the role of subsurface heterogeneity on the formation of mineral weathering fronts in the CZ, which requires consideration of many of these spatio-temporal scales. The model is implemented using the reactive transport code PFLOTRAN, an open source subsurface flow and reactive transport code that utilizes parallelization over multiple processing nodes and provides a strong framework for simulating weathering in the CZ. The model is set up to simulate weathering dynamics in the mountainous catchments representative of the Colorado Front Range. Model parameters were constrained based on hydrologic, geochemical, and geophysical observations from the Boulder Creek Critical Zone Observatory (BcCZO). Simulations were performed in fractured rock systems and compared with systems of heterogeneous and homogeneous permeability fields. Tracer simulations revealed that the mean residence time of solutes was drastically accelerated as fracture density increased. In simulations that include mineral reactions, distinct signatures of transport limitations on weathering arose when discrete flow paths were included. This transport limitation was related to both advective and diffusive processes in the highly heterogeneous systems (i.e. fractured media and correlated random permeability fields with σlnk > 3). The well-known time-dependence of mineral weathering rates was found to be the most pronounced in the fractured systems, with a departure from the maximum system-averaged dissolution rate occurring after ~100 kyr followed by a gradual decrease in the reaction rate with time that persists beyond 104 kyr.

Modeling variably saturated multispecies reactive groundwater solute transport with MODFLOW-UZF and RT3D

USGS Publications Warehouse

Bailey, Ryan T.; Morway, Eric D.; Niswonger, Richard G.; Gates, Timothy K.

2013-01-01

A numerical model was developed that is capable of simulating multispecies reactive solute transport in variably saturated porous media. This model consists of a modified version of the reactive transport model RT3D (Reactive Transport in 3 Dimensions) that is linked to the Unsaturated-Zone Flow (UZF1) package and MODFLOW. Referred to as UZF-RT3D, the model is tested against published analytical benchmarks as well as other published contaminant transport models, including HYDRUS-1D, VS2DT, and SUTRA, and the coupled flow and transport modeling system of CATHY and TRAN3D. Comparisons in one-dimensional, two-dimensional, and three-dimensional variably saturated systems are explored. While several test cases are included to verify the correct implementation of variably saturated transport in UZF-RT3D, other cases are included to demonstrate the usefulness of the code in terms of model run-time and handling the reaction kinetics of multiple interacting species in variably saturated subsurface systems. As UZF1 relies on a kinematic-wave approximation for unsaturated flow that neglects the diffusive terms in Richards equation, UZF-RT3D can be used for large-scale aquifer systems for which the UZF1 formulation is reasonable, that is, capillary-pressure gradients can be neglected and soil parameters can be treated as homogeneous. Decreased model run-time and the ability to include site-specific chemical species and chemical reactions make UZF-RT3D an attractive model for efficient simulation of multispecies reactive transport in variably saturated large-scale subsurface systems.

A Deterministic Transport Code for Space Environment Electrons

NASA Technical Reports Server (NTRS)

Nealy, John E.; Chang, C. K.; Norman, Ryan B.; Blattnig, Steve R.; Badavi, Francis F.; Adamczyk, Anne M.

2010-01-01

A deterministic computational procedure has been developed to describe transport of space environment electrons in various shield media. This code is an upgrade and extension of an earlier electron code. Whereas the former code was formulated on the basis of parametric functions derived from limited laboratory data, the present code utilizes well established theoretical representations to describe the relevant interactions and transport processes. The shield material specification has been made more general, as have the pertinent cross sections. A combined mean free path and average trajectory approach has been used in the transport formalism. Comparisons with Monte Carlo calculations are presented.

Combined Modeling of Acceleration, Transport, and Hydrodynamic Response in Solar Flares. 1; The Numerical Model

NASA Technical Reports Server (NTRS)

Liu, Wei; Petrosian, Vahe; Mariska, John T.

2009-01-01

Acceleration and transport of high-energy particles and fluid dynamics of atmospheric plasma are interrelated aspects of solar flares, but for convenience and simplicity they were artificially separated in the past. We present here self consistently combined Fokker-Planck modeling of particles and hydrodynamic simulation of flare plasma. Energetic electrons are modeled with the Stanford unified code of acceleration, transport, and radiation, while plasma is modeled with the Naval Research Laboratory flux tube code. We calculated the collisional heating rate directly from the particle transport code, which is more accurate than those in previous studies based on approximate analytical solutions. We repeated the simulation of Mariska et al. with an injection of power law, downward-beamed electrons using the new heating rate. For this case, a -10% difference was found from their old result. We also used a more realistic spectrum of injected electrons provided by the stochastic acceleration model, which has a smooth transition from a quasi-thermal background at low energies to a non thermal tail at high energies. The inclusion of low-energy electrons results in relatively more heating in the corona (versus chromosphere) and thus a larger downward heat conduction flux. The interplay of electron heating, conduction, and radiative loss leads to stronger chromospheric evaporation than obtained in previous studies, which had a deficit in low-energy electrons due to an arbitrarily assumed low-energy cutoff. The energy and spatial distributions of energetic electrons and bremsstrahlung photons bear signatures of the changing density distribution caused by chromospheric evaporation. In particular, the density jump at the evaporation front gives rise to enhanced emission, which, in principle, can be imaged by X-ray telescopes. This model can be applied to investigate a variety of high-energy processes in solar, space, and astrophysical plasmas.

Dynamical coupling between magnetic equilibrium and transport in tokamak scenario modelling, with application to current ramps

NASA Astrophysics Data System (ADS)

Fable, E.; Angioni, C.; Ivanov, A. A.; Lackner, K.; Maj, O.; Medvedev, S. Yu; Pautasso, G.; Pereverzev, G. V.; Treutterer, W.; the ASDEX Upgrade Team

2013-07-01

The modelling of tokamak scenarios requires the simultaneous solution of both the time evolution of the plasma kinetic profiles and of the magnetic equilibrium. Their dynamical coupling involves additional complications, which are not present when the two physical problems are solved separately. Difficulties arise in maintaining consistency in the time evolution among quantities which appear in both the transport and the Grad-Shafranov equations, specifically the poloidal and toroidal magnetic fluxes as a function of each other and of the geometry. The required consistency can be obtained by means of iteration cycles, which are performed outside the equilibrium code and which can have different convergence properties depending on the chosen numerical scheme. When these external iterations are performed, the stability of the coupled system becomes a concern. In contrast, if these iterations are not performed, the coupled system is numerically stable, but can become physically inconsistent. By employing a novel scheme (Fable E et al 2012 Nucl. Fusion submitted), which ensures stability and physical consistency among the same quantities that appear in both the transport and magnetic equilibrium equations, a newly developed version of the ASTRA transport code (Pereverzev G V et al 1991 IPP Report 5/42), which is coupled to the SPIDER equilibrium code (Ivanov A A et al 2005 32nd EPS Conf. on Plasma Physics (Tarragona, 27 June-1 July) vol 29C (ECA) P-5.063), in both prescribed- and free-boundary modes is presented here for the first time. The ASTRA-SPIDER coupled system is then applied to the specific study of the modelling of controlled current ramp-up in ASDEX Upgrade discharges.

Three-dimensional analysis of tokamaks and stellarators

PubMed Central

Garabedian, Paul R.

2008-01-01

The NSTAB equilibrium and stability code and the TRAN Monte Carlo transport code furnish a simple but effective numerical simulation of essential features of present tokamak and stellarator experiments. When the mesh size is comparable to the island width, an accurate radial difference scheme in conservation form captures magnetic islands successfully despite a nested surface hypothesis imposed by the mathematics. Three-dimensional asymmetries in bifurcated numerical solutions of the axially symmetric tokamak problem are relevant to the observation of unstable neoclassical tearing modes and edge localized modes in experiments. Islands in compact stellarators with quasiaxial symmetry are easier to control, so these configurations will become good candidates for magnetic fusion if difficulties with safety and stability are encountered in the International Thermonuclear Experimental Reactor (ITER) project. PMID:18768807

TRUST. I. A 3D externally illuminated slab benchmark for dust radiative transfer

NASA Astrophysics Data System (ADS)

Gordon, K. D.; Baes, M.; Bianchi, S.; Camps, P.; Juvela, M.; Kuiper, R.; Lunttila, T.; Misselt, K. A.; Natale, G.; Robitaille, T.; Steinacker, J.

2017-07-01

Context. The radiative transport of photons through arbitrary three-dimensional (3D) structures of dust is a challenging problem due to the anisotropic scattering of dust grains and strong coupling between different spatial regions. The radiative transfer problem in 3D is solved using Monte Carlo or Ray Tracing techniques as no full analytic solution exists for the true 3D structures. Aims: We provide the first 3D dust radiative transfer benchmark composed of a slab of dust with uniform density externally illuminated by a star. This simple 3D benchmark is explicitly formulated to provide tests of the different components of the radiative transfer problem including dust absorption, scattering, and emission. Methods: The details of the external star, the slab itself, and the dust properties are provided. This benchmark includes models with a range of dust optical depths fully probing cases that are optically thin at all wavelengths to optically thick at most wavelengths. The dust properties adopted are characteristic of the diffuse Milky Way interstellar medium. This benchmark includes solutions for the full dust emission including single photon (stochastic) heating as well as two simplifying approximations: One where all grains are considered in equilibrium with the radiation field and one where the emission is from a single effective grain with size-distribution-averaged properties. A total of six Monte Carlo codes and one Ray Tracing code provide solutions to this benchmark. Results: The solution to this benchmark is given as global spectral energy distributions (SEDs) and images at select diagnostic wavelengths from the ultraviolet through the infrared. Comparison of the results revealed that the global SEDs are consistent on average to a few percent for all but the scattered stellar flux at very high optical depths. The image results are consistent within 10%, again except for the stellar scattered flux at very high optical depths. The lack of agreement between different codes of the scattered flux at high optical depths is quantified for the first time. Convergence tests using one of the Monte Carlo codes illustrate the sensitivity of the solutions to various model parameters. Conclusions: We provide the first 3D dust radiative transfer benchmark and validate the accuracy of this benchmark through comparisons between multiple independent codes and detailed convergence tests.

MODFLOW/MT3DMS-based simulation of variable-density ground water flow and transport

USGS Publications Warehouse

Langevin, C.D.; Guo, W.

2006-01-01

This paper presents an approach for coupling MODFLOW and MT3DMS for the simulation of variable-density ground water flow. MODFLOW routines were modified to solve a variable-density form of the ground water flow equation in which the density terms are calculated using an equation of state and the simulated MT3DMS solute concentrations. Changes to the MODFLOW and MT3DMS input files were kept to a minimum, and thus existing data files and data files created with most pre- and postprocessors can be used directly with the SEAWAT code. The approach was tested by simulating the Henry problem and two of the saltpool laboratory experiments (low- and high-density cases). For the Henry problem, the simulated results compared well with the steady-state semianalytic solution and also the transient isochlor movement as simulated by a finite-element model. For the saltpool problem, the simulated breakthrough curves compared better with the laboratory measurements for the low-density case than for the high-density case but showed good agreement with the measured salinity isosurfaces for both cases. Results from the test cases presented here indicate that the MODFLOW/MT3DMS approach provides accurate solutions for problems involving variable-density ground water flow and solute transport. ?? 2006 National Ground Water Association.

Reactive transport simulation via combination of a multiphase-capable transport code for unstructured meshes with a Gibbs energy minimization solver of geochemical equilibria

NASA Astrophysics Data System (ADS)

Fowler, S. J.; Driesner, T.; Hingerl, F. F.; Kulik, D. A.; Wagner, T.

2011-12-01

We apply a new, C++-based computational model for hydrothermal fluid-rock interaction and scale formation in geothermal reservoirs. The model couples the Complex System Modelling Platform (CSMP++) code for fluid flow in porous and fractured media (Matthai et al., 2007) with the Gibbs energy minimization numerical kernel GEMS3K of the GEM-Selektor (GEMS3) geochemical modelling package (Kulik et al., 2010) in a modular fashion. CSMP++ includes interfaces to commercial file formats, accommodating complex geometry construction using CAD (Rhinoceros) and meshing (ANSYS) software. The CSMP++ approach employs finite element-finite volume spatial discretization, implicit or explicit time discretization, and operator splitting. GEMS3K can calculate complex fluid-mineral equilibria based on a variety of equation of state and activity models. A selection of multi-electrolyte aqueous solution models, such as extended Debye-Huckel, Pitzer (Harvie et al., 1984), EUNIQUAC (Thomsen et al., 1996), and the new ELVIS model (Hingerl et al., this conference), makes it well-suited for application to a wide range of geothermal conditions. An advantage of the GEMS3K solver is simultaneous consideration of complex solid solutions (e.g., clay minerals), gases, fluids, and aqueous solutions. Each coupled simulation results in a thermodynamically-based description of the geochemical and physical state of a hydrothermal system evolving along a complex P-T-X path. The code design allows efficient, flexible incorporation of numerical and thermodynamic database improvements. We demonstrate the coupled code workflow and applicability to compositionally and physically complex natural systems relevant to enhanced geothermal systems, where temporally and spatially varying chemical interactions may take place within diverse lithologies of varying geometry. Engesgaard, P. & Kipp, K. L. (1992). Water Res. Res. 28: 2829-2843. Harvie, C. E.; Møller, N. & Weare, J. H. (1984). Geochim. Cosmochim. Acta 48: 723-751. Kulik, D. A., Wagner, T., Dmytrieva S. V, et al. (2010). GEM-Selektor home page, Paul Scherrer Institut. Available at http://gems.web.psi.ch. Matthäi, S. K., Geiger, S., Roberts, S. G., Paluszny, A., Belayneh, M., Burri, A., Mezentsev, A., Lu, H., Coumou, D., Driesner, T. & Heinrich C. A. (2007). Geol. Soc. London, Spec. Publ. 292: 405-429. Thomsen, K. Rasmussen, P. & Gani, R. (1996). Chem. Eng. Sci. 51: 3675-3683.

Preserving Envelope Efficiency in Performance Based Code Compliance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thornton, Brian A.; Sullivan, Greg P.; Rosenberg, Michael I.

2015-06-20

The City of Seattle 2012 Energy Code (Seattle 2014), one of the most progressive in the country, is under revision for its 2015 edition. Additionally, city personnel participate in the development of the next generation of the Washington State Energy Code and the International Energy Code. Seattle has pledged carbon neutrality by 2050 including buildings, transportation and other sectors. The United States Department of Energy (DOE), through Pacific Northwest National Laboratory (PNNL) provided technical assistance to Seattle in order to understand the implications of one potential direction for its code development, limiting trade-offs of long-lived building envelope components less stringentmore » than the prescriptive code envelope requirements by using better-than-code but shorter-lived lighting and heating, ventilation, and air-conditioning (HVAC) components through the total building performance modeled energy compliance path. Weaker building envelopes can permanently limit building energy performance even as lighting and HVAC components are upgraded over time, because retrofitting the envelope is less likely and more expensive. Weaker building envelopes may also increase the required size, cost and complexity of HVAC systems and may adversely affect occupant comfort. This report presents the results of this technical assistance. The use of modeled energy code compliance to trade-off envelope components with shorter-lived building components is not unique to Seattle and the lessons and possible solutions described in this report have implications for other jurisdictions and energy codes.« less

Statistical Analysis of CFD Solutions from 2nd Drag Prediction Workshop

NASA Technical Reports Server (NTRS)

Hemsch, M. J.; Morrison, J. H.

2004-01-01

In June 2001, the first AIAA Drag Prediction Workshop was held to evaluate results obtained from extensive N-Version testing of a series of RANS CFD codes. The geometry used for the computations was the DLR-F4 wing-body combination which resembles a medium-range subsonic transport. The cases reported include the design cruise point, drag polars at eight Mach numbers, and drag rise at three values of lift. Although comparisons of the code-to-code medians with available experimental data were similar to those obtained in previous studies, the code-to-code scatter was more than an order-of-magnitude larger than expected and far larger than desired for design and for experimental validation. The second Drag Prediction Workshop was held in June 2003 with emphasis on the determination of installed pylon-nacelle drag increments and on grid refinement studies. The geometry used was the DLR-F6 wing-body-pylon-nacelle combination for which the design cruise point and the cases run were similar to the first workshop except for additional runs on coarse and fine grids to complement the runs on medium grids. The code-to-code scatter was significantly reduced for the wing-body configuration compared to the first workshop, although still much larger than desired. However, the grid refinement studies showed no sign$cant improvement in code-to-code scatter with increasing grid refinement.

Comparison of the PHISICS/RELAP5-3D Ring and Block Model Results for Phase I of the OECD MHTGR-350 Benchmark

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gerhard Strydom

2014-04-01

The INL PHISICS code system consists of three modules providing improved core simulation capability: INSTANT (performing 3D nodal transport core calculations), MRTAU (depletion and decay heat generation) and a perturbation/mixer module. Coupling of the PHISICS code suite to the thermal hydraulics system code RELAP5-3D has recently been finalized, and as part of the code verification and validation program the exercises defined for Phase I of the OECD/NEA MHTGR 350 MW Benchmark were completed. This paper provides an overview of the MHTGR Benchmark, and presents selected results of the three steady state exercises 1-3 defined for Phase I. For Exercise 1,more » a stand-alone steady-state neutronics solution for an End of Equilibrium Cycle Modular High Temperature Reactor (MHTGR) was calculated with INSTANT, using the provided geometry, material descriptions, and detailed cross-section libraries. Exercise 2 required the modeling of a stand-alone thermal fluids solution. The RELAP5-3D results of four sub-cases are discussed, consisting of various combinations of coolant bypass flows and material thermophysical properties. Exercise 3 combined the first two exercises in a coupled neutronics and thermal fluids solution, and the coupled code suite PHISICS/RELAP5-3D was used to calculate the results of two sub-cases. The main focus of the paper is a comparison of the traditional RELAP5-3D “ring” model approach vs. a much more detailed model that include kinetics feedback on individual block level and thermal feedbacks on a triangular sub-mesh. The higher fidelity of the block model is illustrated with comparison results on the temperature, power density and flux distributions, and the typical under-predictions produced by the ring model approach are highlighted.« less

Comparison of Space Radiation Calculations from Deterministic and Monte Carlo Transport Codes

NASA Technical Reports Server (NTRS)

Adams, J. H.; Lin, Z. W.; Nasser, A. F.; Randeniya, S.; Tripathi, r. K.; Watts, J. W.; Yepes, P.

2010-01-01

The presentation outline includes motivation, radiation transport codes being considered, space radiation cases being considered, results for slab geometry, results from spherical geometry, and summary. ///////// main physics in radiation transport codes hzetrn uprop fluka geant4, slab geometry, spe, gcr,

Equivalent plate modeling for conceptual design of aircraft wing structures

NASA Technical Reports Server (NTRS)

Giles, Gary L.

1995-01-01

This paper describes an analysis method that generates conceptual-level design data for aircraft wing structures. A key requirement is that this data must be produced in a timely manner so that is can be used effectively by multidisciplinary synthesis codes for performing systems studies. Such a capability is being developed by enhancing an equivalent plate structural analysis computer code to provide a more comprehensive, robust and user-friendly analysis tool. The paper focuses on recent enhancements to the Equivalent Laminated Plate Solution (ELAPS) analysis code that significantly expands the modeling capability and improves the accuracy of results. Modeling additions include use of out-of-plane plate segments for representing winglets and advanced wing concepts such as C-wings along with a new capability for modeling the internal rib and spar structure. The accuracy of calculated results is improved by including transverse shear effects in the formulation and by using multiple sets of assumed displacement functions in the analysis. Typical results are presented to demonstrate these new features. Example configurations include a C-wing transport aircraft, a representative fighter wing and a blended-wing-body transport. These applications are intended to demonstrate and quantify the benefits of using equivalent plate modeling of wing structures during conceptual design.

Implementation of an anomalous radial transport model for continuum kinetic edge codes

NASA Astrophysics Data System (ADS)

Bodi, K.; Krasheninnikov, S. I.; Cohen, R. H.; Rognlien, T. D.

2007-11-01

Radial plasma transport in magnetic fusion devices is often dominated by plasma turbulence compared to neoclassical collisional transport. Continuum kinetic edge codes [such as the (2d,2v) transport version of TEMPEST and also EGK] compute the collisional transport directly, but there is a need to model the anomalous transport from turbulence for long-time transport simulations. Such a model is presented and results are shown for its implementation in the TEMPEST gyrokinetic edge code. The model includes velocity-dependent convection and diffusion coefficients expressed as a Hermite polynominals in velocity. The specification of the Hermite coefficients can be set, e.g., by specifying the ratio of particle and energy transport as in fluid transport codes. The anomalous transport terms preserve the property of no particle flux into unphysical regions of velocity space. TEMPEST simulations are presented showing the separate control of particle and energy anomalous transport, and comparisons are made with neoclassical transport also included.

Development of a two-equation turbulence model for hypersonic flows. Volume 1; Evaluation of a low Reynolds number correction to the Kappa - epsilon two equation compressible turbulence model

NASA Technical Reports Server (NTRS)

Knight, Doyle D.; Becht, Robert J.

1995-01-01

The objective of the current research is the development of an improved k-epsilon two-equation compressible turbulence model for turbulent boundary layer flows experiencing strong viscous-inviscid interactions. The development of an improved model is important in the design of hypersonic vehicles such as the National Aerospace Plane (NASP) and the High Speed Civil Transport (HSCT). Improvements have been made to the low Reynolds number functions in the eddy viscosity and dissipation of solenoidal dissipation of the k-epsilon turbulence mode. These corrections offer easily applicable modifications that may be utilized for more complex geometries. The low Reynolds number corrections are functions of the turbulent Reynolds number and are therefore independent of the coordinate system. The proposed model offers advantages over some current models which are based upon the physical distance from the wall, that modify the constants of the standard model, or that make more corrections than are necessary to the governing equations. The code has been developed to solve the Favre averaged, boundary layer equations for mass, momentum, energy, turbulence kinetic energy, and dissipation of solenoidal dissipation using Keller's box scheme and the Newton spatial marching method. The code has been validated by removing the turbulent terms and comparing the solution with the Blasius solution, and by comparing the turbulent solution with an existing k-epsilon model code using wall function boundary conditions. Excellent agreement is seen between the computed solution and the Blasius solution, and between the two codes. The model has been tested for both subsonic and supersonic flat-plate turbulent boundary layer flow by comparing the computed skin friction with the Van Driest II theory and the experimental data of Weighardt; by comparing the transformed velocity profile with the data of Weighardt, and the Law of the Wall and the Law of the Wake; and by comparing the computed results of an adverse pressure gradient with the experimental data of Fernando and Smits. Good agreement is obtained with the experimental correlations for all flow conditions.

A two-column formalism for time-dependent modelling of stellar convection. I. Description of the method

NASA Astrophysics Data System (ADS)

Stökl, A.

2008-11-01

Context: In spite of all the advances in multi-dimensional hydrodynamics, investigations of stellar evolution and stellar pulsations still depend on one-dimensional computations. This paper devises an alternative to the mixing-length theory or turbulence models usually adopted in modelling convective transport in such studies. Aims: The present work attempts to develop a time-dependent description of convection, which reflects the essential physics of convection and that is only moderately dependent on numerical parameters and far less time consuming than existing multi-dimensional hydrodynamics computations. Methods: Assuming that the most extensive convective patterns generate the majority of convective transport, the convective velocity field is described using two parallel, radial columns to represent up- and downstream flows. Horizontal exchange, in the form of fluid flow and radiation, over their connecting interface couples the two columns and allows a simple circulating motion. The main parameters of this convective description have straightforward geometrical meanings, namely the diameter of the columns (corresponding to the size of the convective cells) and the ratio of the cross-section between up- and downdrafts. For this geometrical setup, the time-dependent solution of the equations of radiation hydrodynamics is computed from an implicit scheme that has the advantage of being unaffected by the Courant-Friedrichs-Lewy time-step limit. This implementation is part of the TAPIR-Code (short for The adaptive, implicit RHD-Code). Results: To demonstrate the approach, results for convection zones in Cepheids are presented. The convective energy transport and convective velocities agree with expectations for Cepheids and the scheme reproduces both the kinetic energy flux and convective overshoot. A study of the parameter influence shows that the type of solution derived for these stars is in fact fairly robust with respect to the constitutive numerical parameters.

Coal conversion systems design and process modeling. Volume 2: Installation of MPPM on the Signal 9 computer

NASA Technical Reports Server (NTRS)

1981-01-01

Relevant differences between the MPPM resident IBM 370computer and the NASA Sigma 9 computer are described as well as the MPPM system itself and its development. Problems encountered and solutions used to overcome these difficulties during installation of the MPPM system at MSFC are discussed. Remaining work on the installation effort is summarized. The relevant hardware features incorporated in the program are described and their implications on the transportability of the MPPM source code are examined.

The modelling of heat, mass and solute transport in solidification systems

NASA Technical Reports Server (NTRS)

Voller, V. R.; Brent, A. D.; Prakash, C.

1989-01-01

The aim of this paper is to explore the range of possible one-phase models of binary alloy solidification. Starting from a general two-phase description, based on the two-fluid model, three limiting cases are identified which result in one-phase models of binary systems. Each of these models can be readily implemented in standard single phase flow numerical codes. Differences between predictions from these models are examined. In particular, the effects of the models on the predicted macro-segregation patterns are evaluated.

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

NASA Astrophysics Data System (ADS)

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 applied a novel geostatistical technique, which allocates reactivity parameters to the grid cells by sampling from these parameters' cumulative frequency distribution (CDF) functions. These CDF functions are derived for each relevant geohydrological unit present in the model domain, from datasets of groundwater and sediment analyses. The nutrient loads on the surface water system and the nutrient concentrations in groundwater, simulated by the transport model, are in fair agreement with field measurements. The experience with the test model constitutes a proof-of-concept, justifying further developments towards application of ANIMO-MT3DMS in actual regional decision-making processes.

A Graphical-User Interface for the U. S. Geological Survey's SUTRA Code using Argus ONE (for simulation of variable-density saturated-unsaturated ground-water flow with solute or energy transport)

USGS Publications Warehouse

Voss, Clifford I.; Boldt, David; Shapiro, Allen M.

1997-01-01

This report describes a Graphical-User Interface (GUI) for SUTRA, the U.S. Geological Survey (USGS) model for saturated-unsaturated variable-fluid-density ground-water flow with solute or energy transport,which combines a USGS-developed code that interfaces SUTRA with Argus ONE, a commercial software product developed by Argus Interware. This product, known as Argus Open Numerical Environments (Argus ONETM), is a programmable system with geographic-information-system-like (GIS-like) functionality that includes automated gridding and meshing capabilities for linking geospatial information with finite-difference and finite-element numerical model discretizations. The GUI for SUTRA is based on a public-domain Plug-In Extension (PIE) to Argus ONE that automates the use of ArgusONE to: automatically create the appropriate geospatial information coverages (information layers) for SUTRA, provide menus and dialogs for inputting geospatial information and simulation control parameters for SUTRA, and allow visualization of SUTRA simulation results. Following simulation control data and geospatial data input bythe user through the GUI, ArgusONE creates text files in a format required for normal input to SUTRA,and SUTRA can be executed within the Argus ONE environment. Then, hydraulic head, pressure, solute concentration, temperature, saturation and velocity results from the SUTRA simulation may be visualized. Although the GUI for SUTRA discussed in this report provides all of the graphical pre- and post-processor functions required for running SUTRA, it is also possible for advanced users to apply programmable features within Argus ONE to modify the GUI to meet the unique demands of particular ground-water modeling projects.

Magnetic flux and heat losses by diffusive, advective, and Nernst effects in MagLIF-like plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Velikovich, A. L., E-mail: sasha.velikovich@nrl.navy.mil; Giuliani, J. L., E-mail: sasha.velikovich@nrl.navy.mil; Zalesak, S. T.

2014-12-15

The MagLIF approach to inertial confinement fusion involves subsonic/isobaric compression and heating of a DT plasma with frozen-in magnetic flux by a heavy cylindrical liner. The losses of heat and magnetic flux from the plasma to the liner are thereby determined by plasma advection and gradient-driven transport processes, such as thermal conductivity, magnetic field diffusion and thermomagnetic effects. Theoretical analysis based on obtaining exact self-similar solutions of the classical collisional Braginskii's plasma transport equations in one dimension demonstrates that the heat loss from the hot plasma to the cold liner is dominated by the transverse heat conduction and advection, andmore » the corresponding loss of magnetic flux is dominated by advection and the Nernst effect. For a large electron Hall parameter ω{sub e}τ{sub e} effective diffusion coefficients determining the losses of heat and magnetic flux are both shown to decrease with ω{sub e}τ{sub e} as does the Bohm diffusion coefficient, which is commonly associated with low collisionality and two-dimensional transport. This family of exact solutions can be used for verification of codes that model the MagLIF plasma dynamics.« less

Stellar and wind parameters of massive stars from spectral analysis

NASA Astrophysics Data System (ADS)

Araya, I.; Curé, M.

2017-07-01

The only way to deduce information from stars is to decode the radiation it emits in an appropriate way. Spectroscopy can solve this and derive many properties of stars. In this work we seek to derive simultaneously the stellar and wind characteristics of A and B supergiant stars. Our stellar properties encompass the effective temperature, the surface gravity, the stellar radius, the micro-turbulence velocity, the rotational velocity and, finally, the chemical composition. For wind properties we consider the mass-loss rate, the terminal velocity and the line-force parameters (α, k and δ) obtained from the standard line-driven wind theory. To model the data we use the radiative transport code Fastwind considering the newest hydrodynamical solutions derived with Hydwind code, which needs stellar and line-force parameters to obtain a wind solution. A grid of spectral models of massive stars is created and together with the observed spectra their physical properties are determined through spectral line fittings. These fittings provide an estimation about the line-force parameters, whose theoretical calculations are extremely complex. Furthermore, we expect to confirm that the hydrodynamical solutions obtained with a value of δ slightly larger than ˜ 0.25, called δ-slow solutions, describe quite reliable the radiation line-driven winds of A and late B supergiant stars and at the same time explain disagreements between observational data and theoretical models for the Wind-Momentum Luminosity Relationship (WLR).

Stellar and wind parameters of massive stars from spectral analysis

NASA Astrophysics Data System (ADS)

Araya, Ignacio; Curé, Michel

2017-11-01

The only way to deduce information from stars is to decode the radiation it emits in an appropriate way. Spectroscopy can solve this and derive many properties of stars. In this work we seek to derive simultaneously the stellar and wind characteristics of a wide range of massive stars. Our stellar properties encompass the effective temperature, the surface gravity, the stellar radius, the micro-turbulence velocity, the rotational velocity and the Si abundance. For wind properties we consider the mass-loss rate, the terminal velocity and the line-force parameters α, k and δ (from the line-driven wind theory). To model the data we use the radiative transport code Fastwind considering the newest hydrodynamical solutions derived with Hydwind code, which needs stellar and line-force parameters to obtain a wind solution. A grid of spectral models of massive stars is created and together with the observed spectra their physical properties are determined through spectral line fittings. These fittings provide an estimation about the line-force parameters, whose theoretical calculations are extremely complex. Furthermore, we expect to confirm that the hydrodynamical solutions obtained with a value of δ slightly larger than ~ 0.25, called δ-slow solutions, describe quite reliable the radiation line-driven winds of A and late B supergiant stars and at the same time explain disagreements between observational data and theoretical models for the Wind-Momentum Luminosity Relationship (WLR).

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singleton, Jr., Robert; Israel, Daniel M.; Doebling, Scott William

For code verification, one compares the code output against known exact solutions. There are many standard test problems used in this capacity, such as the Noh and Sedov problems. ExactPack is a utility that integrates many of these exact solution codes into a common API (application program interface), and can be used as a stand-alone code or as a python package. ExactPack consists of python driver scripts that access a library of exact solutions written in Fortran or Python. The spatial profiles of the relevant physical quantities, such as the density, fluid velocity, sound speed, or internal energy, are returnedmore » at a time specified by the user. The solution profiles can be viewed and examined by a command line interface or a graphical user interface, and a number of analysis tools and unit tests are also provided. We have documented the physics of each problem in the solution library, and provided complete documentation on how to extend the library to include additional exact solutions. ExactPack’s code architecture makes it easy to extend the solution-code library to include additional exact solutions in a robust, reliable, and maintainable manner.« less

dfnWorks: A discrete fracture network framework for modeling subsurface flow and transport

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hyman, Jeffrey D.; Karra, Satish; Makedonska, Nataliia

DFNWORKS is a parallelized computational suite to generate three-dimensional discrete fracture networks (DFN) and simulate flow and transport. Developed at Los Alamos National Laboratory over the past five years, it has been used to study flow and transport in fractured media at scales ranging from millimeters to kilometers. The networks are created and meshed using DFNGEN, which combines FRAM (the feature rejection algorithm for meshing) methodology to stochastically generate three-dimensional DFNs with the LaGriT meshing toolbox to create a high-quality computational mesh representation. The representation produces a conforming Delaunay triangulation suitable for high performance computing finite volume solvers in anmore » intrinsically parallel fashion. Flow through the network is simulated in dfnFlow, which utilizes the massively parallel subsurface flow and reactive transport finite volume code PFLOTRAN. A Lagrangian approach to simulating transport through the DFN is adopted within DFNTRANS to determine pathlines and solute transport through the DFN. Example applications of this suite in the areas of nuclear waste repository science, hydraulic fracturing and CO 2 sequestration are also included.« less

dfnWorks: A discrete fracture network framework for modeling subsurface flow and transport

DOE PAGES

Hyman, Jeffrey D.; Karra, Satish; Makedonska, Nataliia; ...

2015-11-01

DFNWORKS is a parallelized computational suite to generate three-dimensional discrete fracture networks (DFN) and simulate flow and transport. Developed at Los Alamos National Laboratory over the past five years, it has been used to study flow and transport in fractured media at scales ranging from millimeters to kilometers. The networks are created and meshed using DFNGEN, which combines FRAM (the feature rejection algorithm for meshing) methodology to stochastically generate three-dimensional DFNs with the LaGriT meshing toolbox to create a high-quality computational mesh representation. The representation produces a conforming Delaunay triangulation suitable for high performance computing finite volume solvers in anmore » intrinsically parallel fashion. Flow through the network is simulated in dfnFlow, which utilizes the massively parallel subsurface flow and reactive transport finite volume code PFLOTRAN. A Lagrangian approach to simulating transport through the DFN is adopted within DFNTRANS to determine pathlines and solute transport through the DFN. Example applications of this suite in the areas of nuclear waste repository science, hydraulic fracturing and CO 2 sequestration are also included.« less

PHAZR: A phenomenological code for holeboring in air

NASA Astrophysics Data System (ADS)

Picone, J. M.; Boris, J. P.; Lampe, M.; Kailasanath, K.

1985-09-01

This report describes a new code for studying holeboring by a charged particle beam, laser, or electric discharge in a gas. The coordinates which parameterize the channel are radial displacement (r) from the channel axis and distance (z) along the channel axis from the energy source. The code is primarily phenomenological that is, we use closed solutions of simple models in order to represent many of the effects which are important in holeboring. The numerical simplicity which we gain from the use of these solutions enables us to estimate the structure of channel over long propagation distances while using a minimum of computer time. This feature makes PHAZR a useful code for those studying and designing future systems. Of particular interest is the design and implementation of the subgrid turbulence model required to compute the enhanced channel cooling caused by asymmetry-driven turbulence. The approximate equations of Boris and Picone form the basis of the model which includes the effects of turbulent diffusion and fluid transport on the turbulent field itself as well as on the channel parameters. The primary emphasis here is on charged particle beams, and as an example, we present typical results for an ETA-like beam propagating in air. These calculations demonstrate how PHAZAR may be used to investigate accelerator parameter space and to isolate the important physical parameters which determine the holeboring properties of a given system. The comparison with two-dimensional calculations provide a calibration of the subgrid turbulence model.

Benchmarking NNWSI flow and transport codes: COVE 1 results

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hayden, N.K.

1985-06-01

The code verification (COVE) activity of the Nevada Nuclear Waste Storage Investigations (NNWSI) Project is the first step in certification of flow and transport codes used for NNWSI performance assessments of a geologic repository for disposing of high-level radioactive wastes. The goals of the COVE activity are (1) to demonstrate and compare the numerical accuracy and sensitivity of certain codes, (2) to identify and resolve problems in running typical NNWSI performance assessment calculations, and (3) to evaluate computer requirements for running the codes. This report describes the work done for COVE 1, the first step in benchmarking some of themore » codes. Isothermal calculations for the COVE 1 benchmarking have been completed using the hydrologic flow codes SAGUARO, TRUST, and GWVIP; the radionuclide transport codes FEMTRAN and TRUMP; and the coupled flow and transport code TRACR3D. This report presents the results of three cases of the benchmarking problem solved for COVE 1, a comparison of the results, questions raised regarding sensitivities to modeling techniques, and conclusions drawn regarding the status and numerical sensitivities of the codes. 30 refs.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gehin, Jess C; Godfrey, Andrew T; Evans, Thomas M

The Consortium for Advanced Simulation of Light Water Reactors (CASL) is developing a collection of methods and software products known as VERA, the Virtual Environment for Reactor Applications, including a core simulation capability called VERA-CS. A key milestone for this endeavor is to validate VERA against measurements from operating nuclear power reactors. The first step in validation against plant data is to determine the ability of VERA to accurately simulate the initial startup physics tests for Watts Bar Nuclear Power Station, Unit 1 (WBN1) cycle 1. VERA-CS calculations were performed with the Insilico code developed at ORNL using cross sectionmore » processing from the SCALE system and the transport capabilities within the Denovo transport code using the SPN method. The calculations were performed with ENDF/B-VII.0 cross sections in 252 groups (collapsed to 23 groups for the 3D transport solution). The key results of the comparison of calculations with measurements include initial criticality, control rod worth critical configurations, control rod worth, differential boron worth, and isothermal temperature reactivity coefficient (ITC). The VERA results for these parameters show good agreement with measurements, with the exception of the ITC, which requires additional investigation. Results are also compared to those obtained with Monte Carlo methods and a current industry core simulator.« less

Solving iTOUGH2 simulation and optimization problems using the PEST protocol

DOE Office of Scientific and Technical Information (OSTI.GOV)

Finsterle, S.A.; Zhang, Y.

2011-02-01

The PEST protocol has been implemented into the iTOUGH2 code, allowing the user to link any simulation program (with ASCII-based inputs and outputs) to iTOUGH2's sensitivity analysis, inverse modeling, and uncertainty quantification capabilities. These application models can be pre- or post-processors of the TOUGH2 non-isothermal multiphase flow and transport simulator, or programs that are unrelated to the TOUGH suite of codes. PEST-style template and instruction files are used, respectively, to pass input parameters updated by the iTOUGH2 optimization routines to the model, and to retrieve the model-calculated values that correspond to observable variables. We summarize the iTOUGH2 capabilities and demonstratemore » the flexibility added by the PEST protocol for the solution of a variety of simulation-optimization problems. In particular, the combination of loosely coupled and tightly integrated simulation and optimization routines provides both the flexibility and control needed to solve challenging inversion problems for the analysis of multiphase subsurface flow and transport systems.« less

Is it Code Imperfection or 'garbage in Garbage Out'? Outline of Experiences from a Comprehensive Adr Code Verification

NASA Astrophysics Data System (ADS)

Zamani, K.; Bombardelli, F. A.

2013-12-01

ADR equation describes many physical phenomena of interest in the field of water quality in natural streams and groundwater. In many cases such as: density driven flow, multiphase reactive transport, and sediment transport, either one or a number of terms in the ADR equation may become nonlinear. For that reason, numerical tools are the only practical choice to solve these PDEs. All numerical solvers developed for transport equation need to undergo code verification procedure before they are put in to practice. Code verification is a mathematical activity to uncover failures and check for rigorous discretization of PDEs and implementation of initial/boundary conditions. In the context computational PDE verification is not a well-defined procedure on a clear path. Thus, verification tests should be designed and implemented with in-depth knowledge of numerical algorithms and physics of the phenomena as well as mathematical behavior of the solution. Even test results need to be mathematically analyzed to distinguish between an inherent limitation of algorithm and a coding error. Therefore, it is well known that code verification is a state of the art, in which innovative methods and case-based tricks are very common. This study presents full verification of a general transport code. To that end, a complete test suite is designed to probe the ADR solver comprehensively and discover all possible imperfections. In this study we convey our experiences in finding several errors which were not detectable with routine verification techniques. We developed a test suit including hundreds of unit tests and system tests. The test package has gradual increment in complexity such that tests start from simple and increase to the most sophisticated level. Appropriate verification metrics are defined for the required capabilities of the solver as follows: mass conservation, convergence order, capabilities in handling stiff problems, nonnegative concentration, shape preservation, and spurious wiggles. Thereby, we provide objective, quantitative values as opposed to subjective qualitative descriptions as 'weak' or 'satisfactory' agreement with those metrics. We start testing from a simple case of unidirectional advection, then bidirectional advection and tidal flow and build up to nonlinear cases. We design tests to check nonlinearity in velocity, dispersivity and reactions. For all of the mentioned cases we conduct mesh convergence tests. These tests compare the results' order of accuracy versus the formal order of accuracy of discretization. The concealing effect of scales (Peclet and Damkohler numbers) on the mesh convergence study and appropriate remedies are also discussed. For the cases in which the appropriate benchmarks for mesh convergence study are not available we utilize Symmetry, Complete Richardson Extrapolation and Method of False Injection to uncover bugs. Detailed discussions of capabilities of the mentioned code verification techniques are given. Auxiliary subroutines for automation of the test suit and report generation are designed. All in all, the test package is not only a robust tool for code verification but also it provides comprehensive insight on the ADR solvers capabilities. Such information is essential for any rigorous computational modeling of ADR equation for surface/subsurface pollution transport.

3D Multispecies Nonlinear Perturbative Particle Simulation of Intense Nonneutral Particle Beams (Research supported by the Department of Energy and the Short Pulse Spallation Source Project and LANSCE Division of LANL.)

NASA Astrophysics Data System (ADS)

Qin, Hong; Davidson, Ronald C.; Lee, W. Wei-Li

1999-11-01

The Beam Equilibrium Stability and Transport (BEST) code, a 3D multispecies nonlinear perturbative particle simulation code, has been developed to study collective effects in intense charged particle beams described self-consistently by the Vlasov-Maxwell equations. A Darwin model is adopted for transverse electromagnetic effects. As a 3D multispecies perturbative particle simulation code, it provides several unique capabilities. Since the simulation particles are used to simulate only the perturbed distribution function and self-fields, the simulation noise is reduced significantly. The perturbative approach also enables the code to investigate different physics effects separately, as well as simultaneously. The code can be easily switched between linear and nonlinear operation, and used to study both linear stability properties and nonlinear beam dynamics. These features, combined with 3D and multispecies capabilities, provides an effective tool to investigate the electron-ion two-stream instability, periodically focused solutions in alternating focusing fields, and many other important problems in nonlinear beam dynamics and accelerator physics. Applications to the two-stream instability are presented.

An implicit finite-difference solution to the viscous shock layer, including the effects of radiation and strong blowing

NASA Technical Reports Server (NTRS)

Garrett, L. B.; Smith, G. L.; Perkins, J. N.

1972-01-01

An implicit finite-difference scheme is developed for the fully coupled solution of the viscous, radiating stagnation-streamline equations, including strong blowing. Solutions are presented for both air injection and injection of carbon-phenolic ablation products into air at conditions near the peak radiative heating point in an earth entry trajectory from interplanetary return missions. A detailed radiative-transport code that accounts for the important radiative exchange processes for gaseous mixtures in local thermodynamic and chemical equilibrium is utilized in the study. With minimum number of assumptions for the initially unknown parameters and profile distributions, convergent solutions to the full stagnation-line equations are rapidly obtained by a method of successive approximations. Damping of selected profiles is required to aid convergence of the solutions for massive blowing. It is shown that certain finite-difference approximations to the governing differential equations stabilize and improve the solutions. Detailed comparisons are made with the numerical results of previous investigations. Results of the present study indicate lower radiative heat fluxes at the wall for carbonphenolic ablation than previously predicted.

Beam-dynamics codes used at DARHT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ekdahl, Jr., Carl August

Several beam simulation codes are used to help gain a better understanding of beam dynamics in the DARHT LIAs. The most notable of these fall into the following categories: for beam production – Tricomp Trak orbit tracking code, LSP Particle in cell (PIC) code, for beam transport and acceleration – XTR static envelope and centroid code, LAMDA time-resolved envelope and centroid code, LSP-Slice PIC code, for coasting-beam transport to target – LAMDA time-resolved envelope code, LSP-Slice PIC code. These codes are also being used to inform the design of Scorpius.

Spherical Harmonic Solutions to the 3D Kobayashi Benchmark Suite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, P.N.; Chang, B.; Hanebutte, U.R.

1999-12-29

Spherical harmonic solutions of order 5, 9 and 21 on spatial grids containing up to 3.3 million cells are presented for the Kobayashi benchmark suite. This suite of three problems with simple geometry of pure absorber with large void region was proposed by Professor Kobayashi at an OECD/NEA meeting in 1996. Each of the three problems contains a source, a void and a shield region. Problem 1 can best be described as a box in a box problem, where a source region is surrounded by a square void region which itself is embedded in a square shield region. Problems 2more » and 3 represent a shield with a void duct. Problem 2 having a straight and problem 3 a dog leg shaped duct. A pure absorber and a 50% scattering case are considered for each of the three problems. The solutions have been obtained with Ardra, a scalable, parallel neutron transport code developed at Lawrence Livermore National Laboratory (LLNL). The Ardra code takes advantage of a two-level parallelization strategy, which combines message passing between processing nodes and thread based parallelism amongst processors on each node. All calculations were performed on the IBM ASCI Blue-Pacific computer at LLNL.« less

A new scripting library for modeling flow and transport in fractured rock with channel networks

NASA Astrophysics Data System (ADS)

Dessirier, Benoît; Tsang, Chin-Fu; Niemi, Auli

2018-02-01

Deep crystalline bedrock formations are targeted to host spent nuclear fuel owing to their overall low permeability. They are however highly heterogeneous and only a few preferential paths pertaining to a small set of dominant rock fractures usually carry most of the flow or mass fluxes, a behavior known as channeling that needs to be accounted for in the performance assessment of repositories. Channel network models have been developed and used to investigate the effect of channeling. They are usually simpler than discrete fracture networks based on rock fracture mappings and rely on idealized full or sparsely populated lattices of channels. This study reexamines the fundamental parameter structure required to describe a channel network in terms of groundwater flow and solute transport, leading to an extended description suitable for unstructured arbitrary networks of channels. An implementation of this formalism in a Python scripting library is presented and released along with this article. A new algebraic multigrid preconditioner delivers a significant speedup in the flow solution step compared to previous channel network codes. 3D visualization is readily available for verification and interpretation of the results by exporting the results to an open and free dedicated software. The new code is applied to three example cases to verify its results on full uncorrelated lattices of channels, sparsely populated percolation lattices and to exemplify the use of unstructured networks to accommodate knowledge on local rock fractures.

Goblet Cell Hyperplasia Requires High Bicarbonate Transport To Support Mucin Release.

PubMed

Gorrieri, Giulia; Scudieri, Paolo; Caci, Emanuela; Schiavon, Marco; Tomati, Valeria; Sirci, Francesco; Napolitano, Francesco; Carrella, Diego; Gianotti, Ambra; Musante, Ilaria; Favia, Maria; Casavola, Valeria; Guerra, Lorenzo; Rea, Federico; Ravazzolo, Roberto; Di Bernardo, Diego; Galietta, Luis J V

2016-10-27

Goblet cell hyperplasia, a feature of asthma and other respiratory diseases, is driven by the Th-2 cytokines IL-4 and IL-13. In human bronchial epithelial cells, we find that IL-4 induces the expression of many genes coding for ion channels and transporters, including TMEM16A, SLC26A4, SLC12A2, and ATP12A. At the functional level, we find that IL-4 enhances calcium- and cAMP-activated chloride/bicarbonate secretion, resulting in high bicarbonate concentration and alkaline pH in the fluid covering the apical surface of epithelia. Importantly, mucin release, elicited by purinergic stimulation, requires the presence of bicarbonate in the basolateral solution and is defective in cells derived from cystic fibrosis patients. In conclusion, our results suggest that Th-2 cytokines induce a profound change in expression and function in multiple ion channels and transporters that results in enhanced bicarbonate transport ability. This change is required as an important mechanism to favor release and clearance of mucus.

Goblet Cell Hyperplasia Requires High Bicarbonate Transport To Support Mucin Release

PubMed Central

Gorrieri, Giulia; Scudieri, Paolo; Caci, Emanuela; Schiavon, Marco; Tomati, Valeria; Sirci, Francesco; Napolitano, Francesco; Carrella, Diego; Gianotti, Ambra; Musante, Ilaria; Favia, Maria; Casavola, Valeria; Guerra, Lorenzo; Rea, Federico; Ravazzolo, Roberto; Di Bernardo, Diego; Galietta, Luis J. V.

2016-01-01

Goblet cell hyperplasia, a feature of asthma and other respiratory diseases, is driven by the Th-2 cytokines IL-4 and IL-13. In human bronchial epithelial cells, we find that IL-4 induces the expression of many genes coding for ion channels and transporters, including TMEM16A, SLC26A4, SLC12A2, and ATP12A. At the functional level, we find that IL-4 enhances calcium- and cAMP-activated chloride/bicarbonate secretion, resulting in high bicarbonate concentration and alkaline pH in the fluid covering the apical surface of epithelia. Importantly, mucin release, elicited by purinergic stimulation, requires the presence of bicarbonate in the basolateral solution and is defective in cells derived from cystic fibrosis patients. In conclusion, our results suggest that Th-2 cytokines induce a profound change in expression and function in multiple ion channels and transporters that results in enhanced bicarbonate transport ability. This change is required as an important mechanism to favor release and clearance of mucus. PMID:27786259

A Comparison of Monte Carlo and Deterministic Solvers for keff and Sensitivity Calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haeck, Wim; Parsons, Donald Kent; White, Morgan Curtis

Verification and validation of our solutions for calculating the neutron reactivity for nuclear materials is a key issue to address for many applications, including criticality safety, research reactors, power reactors, and nuclear security. Neutronics codes solve variations of the Boltzmann transport equation. The two main variants are Monte Carlo versus deterministic solutions, e.g. the MCNP [1] versus PARTISN [2] codes, respectively. There have been many studies over the decades that examined the accuracy of such solvers and the general conclusion is that when the problems are well-posed, either solver can produce accurate results. However, the devil is always in themore » details. The current study examines the issue of self-shielding and the stress it puts on deterministic solvers. Most Monte Carlo neutronics codes use continuous-energy descriptions of the neutron interaction data that are not subject to this effect. The issue of self-shielding occurs because of the discretisation of data used by the deterministic solutions. Multigroup data used in these solvers are the average cross section and scattering parameters over an energy range. Resonances in cross sections can occur that change the likelihood of interaction by one to three orders of magnitude over a small energy range. Self-shielding is the numerical effect that the average cross section in groups with strong resonances can be strongly affected as neutrons within that material are preferentially absorbed or scattered out of the resonance energies. This affects both the average cross section and the scattering matrix.« less

Modification and benchmarking of MCNP for low-energy tungsten spectra.

PubMed

Mercier, J R; Kopp, D T; McDavid, W D; Dove, S B; Lancaster, J L; Tucker, D M

2000-12-01

The MCNP Monte Carlo radiation transport code was modified for diagnostic medical physics applications. In particular, the modified code was thoroughly benchmarked for the production of polychromatic tungsten x-ray spectra in the 30-150 kV range. Validating the modified code for coupled electron-photon transport with benchmark spectra was supplemented with independent electron-only and photon-only transport benchmarks. Major revisions to the code included the proper treatment of characteristic K x-ray production and scoring, new impact ionization cross sections, and new bremsstrahlung cross sections. Minor revisions included updated photon cross sections, electron-electron bremsstrahlung production, and K x-ray yield. The modified MCNP code is benchmarked to electron backscatter factors, x-ray spectra production, and primary and scatter photon transport.

Concentration transport calculations by an original C++ program with interediate fidelity physics through user-defined buildings with an emphasis on release scenarios in radiological facilities

NASA Astrophysics Data System (ADS)

Sayre, George Anthony

The purpose of this dissertation was to develop the C ++ program Emergency Dose to calculate transport of radionuclides through indoor spaces using intermediate fidelity physics that provides improved spatial heterogeneity over well-mixed models such as MELCORRTM and much lower computation times than CFD codes such as FLUENTRTM . Modified potential flow theory, which is an original formulation of potential flow theory with additions of turbulent jet and natural convection approximations, calculates spatially heterogeneous velocity fields that well-mixed models cannot predict. Other original contributions of MPFT are: (1) generation of high fidelity boundary conditions relative to well-mixed-CFD coupling methods (conflation), (2) broadening of potential flow applications to arbitrary indoor spaces previously restricted to specific applications such as exhaust hood studies, and (3) great reduction of computation time relative to CFD codes without total loss of heterogeneity. Additionally, the Lagrangian transport module, which is discussed in Sections 1.3 and 2.4, showcases an ensemble-based formulation thought to be original to interior studies. Velocity and concentration transport benchmarks against analogous formulations in COMSOLRTM produced favorable results with discrepancies resulting from the tetrahedral meshing used in COMSOLRTM outperforming the Cartesian method used by Emergency Dose. A performance comparison of the concentration transport modules against MELCORRTM showed that Emergency Dose held advantages over the well-mixed model especially in scenarios with many interior partitions and varied source positions. A performance comparison of velocity module against FLUENTRTM showed that viscous drag provided the largest error between Emergency Dose and CFD velocity calculations, but that Emergency Dose's turbulent jets well approximated the corresponding CFD jets. Overall, Emergency Dose was found to provide a viable intermediate solution method for concentration transport with relatively low computation times.

Physics of the Isotopic Dependence of Galactic Cosmic Ray Fluence Behind Shielding

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.; Saganti, Premkumar B.; Hu, Xiao-Dong; Kim, Myung-Hee Y.; Cleghorn, Timothy F.; Wilson, John W.; Tripathi, Ram K.; Zeitlin, Cary J.

2003-01-01

For over 25 years, NASA has supported the development of space radiation transport models for shielding applications. The NASA space radiation transport model now predicts dose and dose equivalent in Earth and Mars orbit to an accuracy of plus or minus 20%. However, because larger errors may occur in particle fluence predictions, there is interest in further assessments and improvements in NASA's space radiation transport model. In this paper, we consider the effects of the isotopic composition of the primary galactic cosmic rays (GCR) and the isotopic dependence of nuclear fragmentation cross-sections on the solution to transport models used for shielding studies. Satellite measurements are used to describe the isotopic composition of the GCR. Using NASA's quantum multiple-scattering theory of nuclear fragmentation (QMSFRG) and high-charge and energy (HZETRN) transport code, we study the effect of the isotopic dependence of the primary GCR composition and secondary nuclei on shielding calculations. The QMSFRG is shown to accurately describe the iso-spin dependence of nuclear fragmentation. The principal finding of this study is that large errors (plus or minus 100%) will occur in the mass-fluence spectra when comparing transport models that use a complete isotope grid (approximately 170 ions) to ones that use a reduced isotope grid, for example the 59 ion-grid used in the HZETRN code in the past, however less significant errors (less than 20%) occur in the elemental-fluence spectra. Because a complete isotope grid is readily handled on small computer workstations and is needed for several applications studying GCR propagation and scattering, it is recommended that they be used for future GCR studies.

Radiation Transport for Explosive Outflows: Opacity Regrouping

NASA Astrophysics Data System (ADS)

Wollaeger, Ryan T.; van Rossum, Daniel R.

2014-10-01

Implicit Monte Carlo (IMC) and Discrete Diffusion Monte Carlo (DDMC) are methods used to stochastically solve the radiative transport and diffusion equations, respectively. These methods combine into a hybrid transport-diffusion method we refer to as IMC-DDMC. We explore a multigroup IMC-DDMC scheme that in DDMC, combines frequency groups with sufficient optical thickness. We term this procedure "opacity regrouping." Opacity regrouping has previously been applied to IMC-DDMC calculations for problems in which the dependence of the opacity on frequency is monotonic. We generalize opacity regrouping to non-contiguous groups and implement this in SuperNu, a code designed to do radiation transport in high-velocity outflows with non-monotonic opacities. We find that regrouping of non-contiguous opacity groups generally improves the speed of IMC-DDMC radiation transport. We present an asymptotic analysis that informs the nature of the Doppler shift in DDMC groups and summarize the derivation of the Gentile-Fleck factor for modified IMC-DDMC. We test SuperNu using numerical experiments including a quasi-manufactured analytic solution, a simple 10 group problem, and the W7 problem for Type Ia supernovae. We find that opacity regrouping is necessary to make our IMC-DDMC implementation feasible for the W7 problem and possibly Type Ia supernova simulations in general. We compare the bolometric light curves and spectra produced by the SuperNu and PHOENIX radiation transport codes for the W7 problem. The overall shape of the bolometric light curves are in good agreement, as are the spectra and their evolution with time. However, for the numerical specifications we considered, we find that the peak luminosity of the light curve calculated using SuperNu is ~10% less than that calculated using PHOENIX.

Navier-Stokes analysis of cold scramjet-afterbody flows

NASA Technical Reports Server (NTRS)

Baysal, Oktay; Engelund, Walter C.; Eleshaky, Mohamed E.

1989-01-01

The progress of two efforts in coding solutions of Navier-Stokes equations is summarized. The first effort concerns a 3-D space marching parabolized Navier-Stokes (PNS) code being modified to compute the supersonic mixing flow through an internal/external expansion nozzle with multicomponent gases. The 3-D PNS equations, coupled with a set of species continuity equations, are solved using an implicit finite difference scheme. The completed work is summarized and includes code modifications for four chemical species, computing the flow upstream of the upper cowl for a theoretical air mixture, developing an initial plane solution for the inner nozzle region, and computing the flow inside the nozzle for both a N2/O2 mixture and a Freon-12/Ar mixture, and plotting density-pressure contours for the inner nozzle region. The second effort concerns a full Navier-Stokes code. The species continuity equations account for the diffusion of multiple gases. This 3-D explicit afterbody code has the ability to use high order numerical integration schemes such as the 4th order MacCormack, and the Gottlieb-MacCormack schemes. Changes to the work are listed and include, but are not limited to: (1) internal/external flow capability; (2) new treatments of the cowl wall boundary conditions and relaxed computations around the cowl region and cowl tip; (3) the entering of the thermodynamic and transport properties of Freon-12, Ar, O, and N; (4) modification to the Baldwin-Lomax turbulence model to account for turbulent eddies generated by cowl walls inside and external to the nozzle; and (5) adopting a relaxation formula to account for the turbulence in the mixing shear layer.

An approach for coupled-code multiphysics core simulations from a common input

DOE PAGES

Schmidt, Rodney; Belcourt, Kenneth; Hooper, Russell; ...

2014-12-10

This study describes an approach for coupled-code multiphysics reactor core simulations that is being developed by the Virtual Environment for Reactor Applications (VERA) project in the Consortium for Advanced Simulation of Light-Water Reactors (CASL). In this approach a user creates a single problem description, called the “VERAIn” common input file, to define and setup the desired coupled-code reactor core simulation. A preprocessing step accepts the VERAIn file and generates a set of fully consistent input files for the different physics codes being coupled. The problem is then solved using a single-executable coupled-code simulation tool applicable to the problem, which ismore » built using VERA infrastructure software tools and the set of physics codes required for the problem of interest. The approach is demonstrated by performing an eigenvalue and power distribution calculation of a typical three-dimensional 17 × 17 assembly with thermal–hydraulic and fuel temperature feedback. All neutronics aspects of the problem (cross-section calculation, neutron transport, power release) are solved using the Insilico code suite and are fully coupled to a thermal–hydraulic analysis calculated by the Cobra-TF (CTF) code. The single-executable coupled-code (Insilico-CTF) simulation tool is created using several VERA tools, including LIME (Lightweight Integrating Multiphysics Environment for coupling codes), DTK (Data Transfer Kit), Trilinos, and TriBITS. Parallel calculations are performed on the Titan supercomputer at Oak Ridge National Laboratory using 1156 cores, and a synopsis of the solution results and code performance is presented. Finally, ongoing development of this approach is also briefly described.« less

76 FR 2744 - Disclosure of Code-Share Service by Air Carriers and Sellers of Air Transportation

Federal Register 2010, 2011, 2012, 2013, 2014

2011-01-14

... DEPARTMENT OF TRANSPORTATION Office of the Secretary Disclosure of Code-Share Service by Air Carriers and Sellers of Air Transportation AGENCY: Office of the Secretary, Department of Transportation..., their agents, and third party sellers of air transportation in view of recent amendments to 49 U.S.C...

Design oriented structural analysis

NASA Technical Reports Server (NTRS)

Giles, Gary L.

1994-01-01

Desirable characteristics and benefits of design oriented analysis methods are described and illustrated by presenting a synoptic description of the development and uses of the Equivalent Laminated Plate Solution (ELAPS) computer code. ELAPS is a design oriented structural analysis method which is intended for use in the early design of aircraft wing structures. Model preparation is minimized by using a few large plate segments to model the wing box structure. Computational efficiency is achieved by using a limited number of global displacement functions that encompass all segments over the wing planform. Coupling with other codes is facilitated since the output quantities such as deflections and stresses are calculated as continuous functions over the plate segments. Various aspects of the ELAPS development are discussed including the analytical formulation, verification of results by comparison with finite element analysis results, coupling with other codes, and calculation of sensitivity derivatives. The effectiveness of ELAPS for multidisciplinary design application is illustrated by describing its use in design studies of high speed civil transport wing structures.

Modelling of Pesticide Transport During An Injection Experiment In A Physical and Geochemical Heterogeneous Aquifer

NASA Astrophysics Data System (ADS)

Hojberg, A. L.; Engesgaard, P.; Bjerg, P. L.

The fate of selected pesticides under natural groundwater conditions was studied by natural gradient short and long term injection experiments in a shallow uncon- fined aerobic aquifer. Bentazone, DNOC, MCPP, dichlorprop, isoproturon, and BAM (dichlobenil metabolite) were injected in aqueous solution with bromide as a nonre- active tracer. The Bromide and pesticide plumes were sampled during the initial 25 m of migration in a dense monitoring net of multilevel samplers. The aquifer was physical and geochemical heterogeneous, which affected transport of several of the pesticides. A 3D reactive transport code was developed including one- and two-site linear/nonlinear equilibrium/nonequilibrium sorption and first-order as well as single Monod degradation kinetic coupled to microbial growth. Model simulations demon- strated that microbial growth was likely supported by the phenoxy acids MCPP and dichlorprop, while degradation of DNOC was adequately described by first-order degradation with no initial lag time. An observed vertical increase in pH was observed at the site and implemented in the transport code. The numerical analysis indicated that degradation of the three degradable pesticides may have been affected by vertical pH variations. Spatial variability in observed DNOC sorption was similarly suspected to be an effect of varying pH. pH dependency on DNOC sorption was confirmed by the model recognized by a match to observed breakthrough at the individual sampling points, when pH variation was included in the simulations.

Modeling Single Well Injection-Withdrawal (SWIW) Tests for Characterization of Complex Fracture-Matrix Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cotte, F.P.; Doughty, C.; Birkholzer, J.

2010-11-01

The ability to reliably predict flow and transport in fractured porous rock is an essential condition for performance evaluation of geologic (underground) nuclear waste repositories. In this report, a suite of programs (TRIPOLY code) for calculating and analyzing flow and transport in two-dimensional fracture-matrix systems is used to model single-well injection-withdrawal (SWIW) tracer tests. The SWIW test, a tracer test using one well, is proposed as a useful means of collecting data for site characterization, as well as estimating parameters relevant to tracer diffusion and sorption. After some specific code adaptations, we numerically generated a complex fracture-matrix system for computationmore » of steady-state flow and tracer advection and dispersion in the fracture network, along with solute exchange processes between the fractures and the porous matrix. We then conducted simulations for a hypothetical but workable SWIW test design and completed parameter sensitivity studies on three physical parameters of the rock matrix - namely porosity, diffusion coefficient, and retardation coefficient - in order to investigate their impact on the fracture-matrix solute exchange process. Hydraulic fracturing, or hydrofracking, is also modeled in this study, in two different ways: (1) by increasing the hydraulic aperture for flow in existing fractures and (2) by adding a new set of fractures to the field. The results of all these different tests are analyzed by studying the population of matrix blocks, the tracer spatial distribution, and the breakthrough curves (BTCs) obtained, while performing mass-balance checks and being careful to avoid some numerical mistakes that could occur. This study clearly demonstrates the importance of matrix effects in the solute transport process, with the sensitivity studies illustrating the increased importance of the matrix in providing a retardation mechanism for radionuclides as matrix porosity, diffusion coefficient, or retardation coefficient increase. Interestingly, model results before and after hydrofracking are insensitive to adding more fractures, while slightly more sensitive to aperture increase, making SWIW tests a possible means of discriminating between these two potential hydrofracking effects. Finally, we investigate the possibility of inferring relevant information regarding the fracture-matrix system physical parameters from the BTCs obtained during SWIW testing.« less

A multi-species reactive transport model to estimate biogeochemical rates based on single-well push-pull test data

NASA Astrophysics Data System (ADS)

Phanikumar, Mantha S.; McGuire, Jennifer T.

2010-08-01

Push-pull tests are a popular technique to investigate various aquifer properties and microbial reaction kinetics in situ. Most previous studies have interpreted push-pull test data using approximate analytical solutions to estimate (generally first-order) reaction rate coefficients. Though useful, these analytical solutions may not be able to describe important complexities in rate data. This paper reports the development of a multi-species, radial coordinate numerical model (PPTEST) that includes the effects of sorption, reaction lag time and arbitrary reaction order kinetics to estimate rates in the presence of mixing interfaces such as those created between injected "push" water and native aquifer water. The model has the ability to describe an arbitrary number of species and user-defined reaction rate expressions including Monod/Michelis-Menten kinetics. The FORTRAN code uses a finite-difference numerical model based on the advection-dispersion-reaction equation and was developed to describe the radial flow and transport during a push-pull test. The accuracy of the numerical solutions was assessed by comparing numerical results with analytical solutions and field data available in the literature. The model described the observed breakthrough data for tracers (chloride and iodide-131) and reactive components (sulfate and strontium-85) well and was found to be useful for testing hypotheses related to the complex set of processes operating near mixing interfaces.

The next generation in optical transport semiconductors: IC solutions at the system level

NASA Astrophysics Data System (ADS)

Gomatam, Badri N.

2005-02-01

In this tutorial overview, we survey some of the challenging problems facing Optical Transport and their solutions using new semiconductor-based technologies. Advances in 0.13um CMOS, SiGe/HBT and InP/HBT IC process technologies and mixed-signal design strategies are the fundamental breakthroughs that have made these solutions possible. In combination with innovative packaging and transponder/transceiver architectures IC approaches have clearly demonstrated enhanced optical link budgets with simultaneously lower (perhaps the lowest to date) cost and manufacturability tradeoffs. This paper will describe: *Electronic Dispersion Compensation broadly viewed as the overcoming of dispersion based limits to OC-192 links and extending link budgets, *Error Control/Coding also known as Forward Error Correction (FEC), *Adaptive Receivers for signal quality monitoring for real-time estimation of Q/OSNR, eye-pattern, signal BER and related temporal statistics (such as jitter). We will discuss the theoretical underpinnings of these receiver and transmitter architectures, provide examples of system performance and conclude with general market trends. These Physical layer IC solutions represent a fundamental new toolbox of options for equipment designers in addressing systems level problems. With unmatched cost and yield/performance tradeoffs, it is expected that IC approaches will provide significant flexibility in turn, for carriers and service providers who must ultimately manage the network and assure acceptable quality of service under stringent cost constraints.

Computer Code for Transportation Network Design and Analysis

DOT National Transportation Integrated Search

1977-01-01

This document describes the results of research into the application of the mathematical programming technique of decomposition to practical transportation network problems. A computer code called Catnap (for Control Analysis Transportation Network A...

Three-dimensional variable-density flow simulation of a coastal aquifer in southern Oahu, Hawaii, USA

USGS Publications Warehouse

Gingerich, S.B.; Voss, C.I.

2005-01-01

Three-dimensional modeling of groundwater flow and solute transport in the Pearl Harbor aquifer, southern Oahu, Hawaii, shows that the readjustment of the freshwater-saltwater transition zone takes a long time following changes in pumping, irrigation, or recharge in the aquifer system. It takes about 50-years for the transition zone to move 90% of the distance to its new steady position. Further, the Ghyben-Herzberg estimate of the freshwater/saltwater interface depth occurred between the 10 and 50% simulated seawater concentration contours in a complex manner during 100-years of the pumping history of the aquifer. Thus, it is not a good predictor of the depth of potable water. Pre-development recharge was used to simulate the 1880 freshwater-lens configuration. Historical pumpage and recharge distributions were used and the resulting freshwater-lens size and position were simulated through 1980. Simulations show that the transition zone moved upward and landward during the period simulated. Previous groundwater flow models for Oahu have been limited to areal models that simulate a sharp interface between freshwater and saltwater or solute-transport models that simulate a vertical aquifer section. The present model is based on the US Geological Survey's three-dimensional solute transport (3D SUTRA) computer code. Using several new tools for pre- and post-processing of model input and results have allowed easy model construction and unprecedented visualization of the freshwater lens and underlying transition zone in Hawaii's most developed aquifer. ?? Springer-Verlag 2005.

Parallel Numerical Simulations of Water Reservoirs

NASA Astrophysics Data System (ADS)

Torres, Pedro; Mangiavacchi, Norberto

2010-11-01

The study of the water flow and scalar transport in water reservoirs is important for the determination of the water quality during the initial stages of the reservoir filling and during the life of the reservoir. For this scope, a parallel 2D finite element code for solving the incompressible Navier-Stokes equations coupled with scalar transport was implemented using the message-passing programming model, in order to perform simulations of hidropower water reservoirs in a computer cluster environment. The spatial discretization is based on the MINI element that satisfies the Babuska-Brezzi (BB) condition, which provides sufficient conditions for a stable mixed formulation. All the distributed data structures needed in the different stages of the code, such as preprocessing, solving and post processing, were implemented using the PETSc library. The resulting linear systems for the velocity and the pressure fields were solved using the projection method, implemented by an approximate block LU factorization. In order to increase the parallel performance in the solution of the linear systems, we employ the static condensation method for solving the intermediate velocity at vertex and centroid nodes separately. We compare performance results of the static condensation method with the approach of solving the complete system. In our tests the static condensation method shows better performance for large problems, at the cost of an increased memory usage. Performance results for other intensive parts of the code in a computer cluster are also presented.

User's manual for a material transport code on the Octopus Computer Network

DOE Office of Scientific and Technical Information (OSTI.GOV)

Naymik, T.G.; Mendez, G.D.

1978-09-15

A code to simulate material transport through porous media was developed at Oak Ridge National Laboratory. This code has been modified and adapted for use at Lawrence Livermore Laboratory. This manual, in conjunction with report ORNL-4928, explains the input, output, and execution of the code on the Octopus Computer Network.

Development of Multi-physics (Multiphase CFD + MCNP) simulation for generic solution vessel power calculation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Seung Jun; Buechler, Cynthia Eileen

The current study aims to predict the steady state power of a generic solution vessel and to develop a corresponding heat transfer coefficient correlation for a Moly99 production facility by conducting a fully coupled multi-physics simulation. A prediction of steady state power for the current application is inherently interconnected between thermal hydraulic characteristics (i.e. Multiphase computational fluid dynamics solved by ANSYS-Fluent 17.2) and the corresponding neutronic behavior (i.e. particle transport solved by MCNP6.2) in the solution vessel. Thus, the development of a coupling methodology is vital to understand the system behavior at a variety of system design and postulated operatingmore » scenarios. In this study, we report on the k-effective (keff) calculation for the baseline solution vessel configuration with a selected solution concentration using MCNP K-code modeling. The associated correlation of thermal properties (e.g. density, viscosity, thermal conductivity, specific heat) at the selected solution concentration are developed based on existing experimental measurements in the open literature. The numerical coupling methodology between multiphase CFD and MCNP is successfully demonstrated, and the detailed coupling procedure is documented. In addition, improved coupling methods capturing realistic physics in the solution vessel thermal-neutronic dynamics are proposed and tested further (i.e. dynamic height adjustment, mull-cell approach). As a key outcome of the current study, a multi-physics coupling methodology between MCFD and MCNP is demonstrated and tested for four different operating conditions. Those different operating conditions are determined based on the neutron source strength at a fixed geometry condition. The steady state powers for the generic solution vessel at various operating conditions are reported, and a generalized correlation of the heat transfer coefficient for the current application is discussed. The assessment of multi-physics methodology and preliminary results from various coupled calculations (power prediction and heat transfer coefficient) can be further utilized for the system code validation and generic solution vessel design improvement.« less

Comparison of two computer codes for crack growth analysis: NASCRAC Versus NASA/FLAGRO

NASA Technical Reports Server (NTRS)

Stallworth, R.; Meyers, C. A.; Stinson, H. C.

1989-01-01

Results are presented from the comparison study of two computer codes for crack growth analysis - NASCRAC and NASA/FLAGRO. The two computer codes gave compatible conservative results when the part through crack analysis solutions were analyzed versus experimental test data. Results showed good correlation between the codes for the through crack at a lug solution. For the through crack at a lug solution, NASA/FLAGRO gave the most conservative results.

Comparison of heavy-ion transport simulations: Collision integral in a box

NASA Astrophysics Data System (ADS)

Zhang, Ying-Xun; Wang, Yong-Jia; Colonna, Maria; Danielewicz, Pawel; Ono, Akira; Tsang, Manyee Betty; Wolter, Hermann; Xu, Jun; Chen, Lie-Wen; Cozma, Dan; Feng, Zhao-Qing; Das Gupta, Subal; Ikeno, Natsumi; Ko, Che-Ming; Li, Bao-An; Li, Qing-Feng; Li, Zhu-Xia; Mallik, Swagata; Nara, Yasushi; Ogawa, Tatsuhiko; Ohnishi, Akira; Oliinychenko, Dmytro; Papa, Massimo; Petersen, Hannah; Su, Jun; Song, Taesoo; Weil, Janus; Wang, Ning; Zhang, Feng-Shou; Zhang, Zhen

2018-03-01

Simulations by transport codes are indispensable to extract valuable physical information from heavy-ion collisions. In order to understand the origins of discrepancies among different widely used transport codes, we compare 15 such codes under controlled conditions of a system confined to a box with periodic boundary, initialized with Fermi-Dirac distributions at saturation density and temperatures of either 0 or 5 MeV. In such calculations, one is able to check separately the different ingredients of a transport code. In this second publication of the code evaluation project, we only consider the two-body collision term; i.e., we perform cascade calculations. When the Pauli blocking is artificially suppressed, the collision rates are found to be consistent for most codes (to within 1 % or better) with analytical results, or completely controlled results of a basic cascade code. In orderto reach that goal, it was necessary to eliminate correlations within the same pair of colliding particles that can be present depending on the adopted collision prescription. In calculations with active Pauli blocking, the blocking probability was found to deviate from the expected reference values. The reason is found in substantial phase-space fluctuations and smearing tied to numerical algorithms and model assumptions in the representation of phase space. This results in the reduction of the blocking probability in most transport codes, so that the simulated system gradually evolves away from the Fermi-Dirac toward a Boltzmann distribution. Since the numerical fluctuations are weaker in the Boltzmann-Uehling-Uhlenbeck codes, the Fermi-Dirac statistics is maintained there for a longer time than in the quantum molecular dynamics codes. As a result of this investigation, we are able to make judgements about the most effective strategies in transport simulations for determining the collision probabilities and the Pauli blocking. Investigation in a similar vein of other ingredients in transport calculations, like the mean-field propagation or the production of nucleon resonances and mesons, will be discussed in the future publications.

Tree-based solvers for adaptive mesh refinement code FLASH - I: gravity and optical depths

NASA Astrophysics Data System (ADS)

Wünsch, R.; Walch, S.; Dinnbier, F.; Whitworth, A.

2018-04-01

We describe an OctTree algorithm for the MPI parallel, adaptive mesh refinement code FLASH, which can be used to calculate the gas self-gravity, and also the angle-averaged local optical depth, for treating ambient diffuse radiation. The algorithm communicates to the different processors only those parts of the tree that are needed to perform the tree-walk locally. The advantage of this approach is a relatively low memory requirement, important in particular for the optical depth calculation, which needs to process information from many different directions. This feature also enables a general tree-based radiation transport algorithm that will be described in a subsequent paper, and delivers excellent scaling up to at least 1500 cores. Boundary conditions for gravity can be either isolated or periodic, and they can be specified in each direction independently, using a newly developed generalization of the Ewald method. The gravity calculation can be accelerated with the adaptive block update technique by partially re-using the solution from the previous time-step. Comparison with the FLASH internal multigrid gravity solver shows that tree-based methods provide a competitive alternative, particularly for problems with isolated or mixed boundary conditions. We evaluate several multipole acceptance criteria (MACs) and identify a relatively simple approximate partial error MAC which provides high accuracy at low computational cost. The optical depth estimates are found to agree very well with those of the RADMC-3D radiation transport code, with the tree-solver being much faster. Our algorithm is available in the standard release of the FLASH code in version 4.0 and later.

Groundwater transport of crater-lake brine at Poa´s Volcano, Costa Rica

USGS Publications Warehouse

Sanford, Ward E.; Konikow, Leonard F.; Rowe, Gary L.; Brantley, Susan L.

1995-01-01

Poa´s Volcano is an active stratovolcano in Costa Rica that has a lake in its active crater. The crater lake has high temperatures (50–90 °C), high acidity (pH ≈ 0.0), and a high dissolved-solids content (100 g/kg). The volcano has numerous freshwater springs on its flanks, but a few on the northwestern flank are highly acidic (pH = 1.6–2.5) and have high dissolved-solids concentrations (2–22 g/kg). This study analyzes the regional groundwater system at Poa´s and demonstrates the likelihood that the water discharging from the acidic springs in the Rio Agrio watershed originates at the acidic crater lake. Both heat and solute transport are analyzed on a regional scale through numerical simulations using the HST3D finite-difference model, which solves the coupled equations for fluid flow, heat transport, and solute transport. The code allows fluid viscosity and density to be functions of both temperature and solute concentration. The simulations use estimates for recharge to the mountain and a range of values and various distributions of permeability and porosity. Several sensitivity analyses are performed to test how the uncertainty in many of the model parameters affects the simulation results. These uncertainties yield an estimated range of travel times from the crater lake to the Rio Agrio springs of 1–30 years, which is in close agreement with the results of tritium analyses of the springs. Calculated groundwater fluxes into and out of the crater lake are both about several hundred kg/s. These fluxes must be accounted for in water budgets of the crater lake.

Modelling of the reactive transport for rock salt-brine in geological repository systems based on improved thermodynamic database (Invited)

NASA Astrophysics Data System (ADS)

Müller, W.; Alkan, H.; Xie, M.; Moog, H.; Sonnenthal, E. L.

2009-12-01

The release and migration of toxic contaminants from the disposed wastes is one of the main issues in long-term safety assessment of geological repositories. In the engineered and geological barriers around the nuclear waste emplacements chemical interactions between the components of the system may affect the isolation properties considerably. As the chemical issues change the transport properties in the near and far field of a nuclear repository, modelling of the transport should also take the chemistry into account. The reactive transport modelling consists of two main components: a code that combines the possible chemical reactions with thermo-hydrogeological processes interactively and a thermodynamic databank supporting the required parameters for the calculation of the chemical reactions. In the last decade many thermo-hydrogeological codes were upgraded to include the modelling of the chemical processes. TOUGHREACT is one of these codes. This is an extension of the well known simulator TOUGH2 for modelling geoprocesses. The code is developed by LBNL (Lawrence Berkeley National Laboratory, Univ. of California) for the simulation of the multi-phase transport of gas and liquid in porous media including heat transfer. After the release of its first version in 1998, this code has been applied and improved many times in conjunction with considerations for nuclear waste emplacement. A recent version has been extended to calculate ion activities in concentrated salt solutions applying the Pitzer model. In TOUGHREACT, the incorporated equation of state module ECO2N is applied as the EOS module for non-isothermal multiphase flow in a fluid system of H2O-NaCl-CO2. The partitioning of H2O and CO2 between liquid and gas phases is modelled as a function of temperature, pressure, and salinity. This module is applicable for waste repositories being expected to generate or having originally CO2 in the fluid system. The enhanced TOUGHREACT uses an EQ3/6-formatted database for both Pitzer ion-interaction parameters and thermodynamic equilibrium constants. The reliability of the parameters is as important as the accuracy of the modelling tool. For this purpose the project THEREDA (www.thereda.de)was set up. The project aims at a comprehensive and internally consistent thermodynamic reference database for geochemical modelling of near and far-field processes occurring in repositories for radioactive wastes in various host rock formations. In the framework of the project all data necessary to perform thermodynamic equilibrium calculations for elevated temperature in the system of oceanic salts are under revision, and it is expected that related data will be available for download by 2010-03. In this paper the geochemical issues that can play an essential role for the transport of radioactive contaminants within and around waste repositories are discussed. Some generic calculations are given to illustrate the geochemical interactions and their probable effects on the transport properties around HLW emplacements and on CO2 generating and/or containing repository systems.

Evaluation of the Ross fast solution of Richards’ equation in unfavourable conditions for standard finite element methods

NASA Astrophysics Data System (ADS)

Crevoisier, David; Chanzy, André; Voltz, Marc

2009-06-01

Ross [Ross PJ. Modeling soil water and solute transport - fast, simplified numerical solutions. Agron J 2003;95:1352-61] developed a fast, simplified method for solving Richards' equation. This non-iterative 1D approach, using Brooks and Corey [Brooks RH, Corey AT. Hydraulic properties of porous media. Hydrol. papers, Colorado St. Univ., Fort Collins; 1964] hydraulic functions, allows a significant reduction in computing time while maintaining the accuracy of the results. The first aim of this work is to confirm these results in a more extensive set of problems, including those that would lead to serious numerical difficulties for the standard numerical method. The second aim is to validate a generalisation of the Ross method to other mathematical representations of hydraulic functions. The Ross method is compared with the standard finite element model, Hydrus-1D [Simunek J, Sejna M, Van Genuchten MTh. The HYDRUS-1D and HYDRUS-2D codes for estimating unsaturated soil hydraulic and solutes transport parameters. Agron Abstr 357; 1999]. Computing time, accuracy of results and robustness of numerical schemes are monitored in 1D simulations involving different types of homogeneous soils, grids and hydrological conditions. The Ross method associated with modified Van Genuchten hydraulic functions [Vogel T, Cislerova M. On the reliability of unsaturated hydraulic conductivity calculated from the moisture retention curve. Transport Porous Media 1988;3:1-15] proves in every tested scenario to be more robust numerically, and the compromise of computing time/accuracy is seen to be particularly improved on coarse grids. Ross method run from 1.25 to 14 times faster than Hydrus-1D.

49 CFR Appendix C to Part 229 - FRA Locomotive Standards-Code of Defects

Code of Federal Regulations, 2013 CFR

2013-10-01

... 49 Transportation 4 2013-10-01 2013-10-01 false FRA Locomotive Standards-Code of Defects C Appendix C to Part 229 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL RAILROAD ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD LOCOMOTIVE SAFETY STANDARDS Pt. 229, App. C...

49 CFR Appendix C to Part 229 - FRA Locomotive Standards-Code of Defects

Code of Federal Regulations, 2014 CFR

2014-10-01

... 49 Transportation 4 2014-10-01 2014-10-01 false FRA Locomotive Standards-Code of Defects C Appendix C to Part 229 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL RAILROAD ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD LOCOMOTIVE SAFETY STANDARDS Pt. 229, App. C...

49 CFR Appendix C to Part 229 - FRA Locomotive Standards-Code of Defects

Code of Federal Regulations, 2010 CFR

2010-10-01

... 49 Transportation 4 2010-10-01 2010-10-01 false FRA Locomotive Standards-Code of Defects C Appendix C to Part 229 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL RAILROAD ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD LOCOMOTIVE SAFETY STANDARDS Pt. 229, App. C...

Development of Pflotran Code for Waste Isolation Pilot Plant Performance Assessment

NASA Astrophysics Data System (ADS)

Zeitler, T.; Day, B. A.; Frederick, J.; Hammond, G. E.; Kim, S.; Sarathi, R.; Stein, E.

2017-12-01

The Waste Isolation Pilot Plant (WIPP) has been developed by the U.S. Department of Energy (DOE) for the geologic (deep underground) disposal of transuranic (TRU) waste. Containment of TRU waste at the WIPP is regulated by the U.S. Environmental Protection Agency (EPA). The DOE demonstrates compliance with the containment requirements by means of performance assessment (PA) calculations. WIPP PA calculations estimate the probability and consequence of potential radionuclide releases from the repository to the accessible environment for a regulatory period of 10,000 years after facility closure. The long-term performance of the repository is assessed using a suite of sophisticated computational codes. There is a current effort to enhance WIPP PA capabilities through the further development of the PFLOTRAN software, a state-of-the-art massively parallel subsurface flow and reactive transport code. Benchmark testing of the individual WIPP-specific process models implemented in PFLOTRAN (e.g., gas generation, chemistry, creep closure, actinide transport, and waste form) has been performed, including results comparisons for PFLOTRAN and existing WIPP PA codes. Additionally, enhancements to the subsurface hydrologic flow mode have been made. Repository-scale testing has also been performed for the modified PFLTORAN code and detailed results will be presented. Ultimately, improvements to the current computational environment will result in greater detail and flexibility in the repository model due to a move from a two-dimensional calculation grid to a three-dimensional representation. The result of the effort will be a state-of-the-art subsurface flow and transport capability that will serve WIPP PA into the future for use in compliance recertification applications (CRAs) submitted to the EPA. Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525. This research is funded by WIPP programs administered by the Office of Environmental Management (EM) of the U.S. Department of Energy.SAND2017-8198A.

Measured solubilities and speciations of neptunium, plutonium, and americium in a typical groundwater (J-13) from the Yucca Mountain region; Milestone report 3010-WBS 1.2.3.4.1.3.1

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nitsche, H.; Gatti, R.C.; Standifer, E.M.

1993-07-01

Solubility and speciation data are important in understanding aqueous radionuclide transport through the geosphere. They define the source term for transport retardation processes such as sorption and colloid formation. Solubility and speciation data are useful in verifying the validity of geochemical codes that are part of predictive transport models. Results are presented from solubility and speciation experiments of {sup 237}NpO{sub 2}{sup +}, {sup 239}Pu{sup 4+}, {sup 241}Am{sup 3+}/Nd{sup 3+}, and {sup 243}Am{sup 3+} in J-13 groundwater (from the Yucca Mountain region, Nevada, which is being investigated as a potential high-level nuclear waste disposal site) at three different temperatures (25{degree}, 60{degree},more » and 90{degree}C) and pH values (5.9, 7.0, and 8.5). The solubility-controlling steady-state solids were identified and the speciation and/or oxidation states present in the supernatant solutions were determined. The neptunium solubility decreased with increasing temperature and pH. Plutonium concentrations decreased with increasing temperature and showed no trend with pH. The americium solutions showed no clear solubility trend with increasing temperature and increasing pH.« less

Simulation of phosphate transport in sewage-contaminated groundwater, Cape Cod, Massachusetts

USGS Publications Warehouse

Stollenwerk, K.G.

1996-01-01

Sewage-contaminated groundwater currently discharges to Ashumet Pond, located on Cape Cod, Massachusetts Phosphate concentrations as high as 60 ??mol l-1 have been measured in groundwater entering Ashumet Pond, and there is concern that the rate of eutrophication could increase. Phosphate in the sewage plume is sorbed by aquifer sediment; the amount is a function of phosphate concentration and pH. A nonelectrostatic surface-complexation model coupled with a one-dimensional solute-transport code was used to simulate sorption and desorption of phosphate in laboratory column experiments. The model simulated sorption of phosphate reasonably well, although the slow rate of approach to complete breakthrough indicated a nonequilibrium process that was not accounted for in the solute-transport model The rate of phosphate desorption in the column experiments was relatively slow Phosphate could still be measured in effluent after 160 pore volumes of uncontaminated groundwater had been flushed through the columns. Desorption was partly a function of the slowly decreasing pH in the columns and could be modeled quantitatively. Disposal of sewage at this site is scheduled to stop in 1995; however, a large reservoir of sorbed phosphate exists on aquifer sediment upgradient from Ashumet Pond. Computer simulations predict that desorption of phosphate could result in contamination of Ashumet Pond for decades.

49 CFR Appendix C to Part 215 - FRA Freight Car Standards Defect Code

Code of Federal Regulations, 2013 CFR

2013-10-01

... 49 Transportation 4 2013-10-01 2013-10-01 false FRA Freight Car Standards Defect Code C Appendix C... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD FREIGHT CAR SAFETY STANDARDS Pt. 215, App. C Appendix C to Part 215—FRA Freight Car Standards Defect Code The following defect code has been established for use...

49 CFR Appendix C to Part 215 - FRA Freight Car Standards Defect Code

Code of Federal Regulations, 2014 CFR

2014-10-01

... 49 Transportation 4 2014-10-01 2014-10-01 false FRA Freight Car Standards Defect Code C Appendix C... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD FREIGHT CAR SAFETY STANDARDS Pt. 215, App. C Appendix C to Part 215—FRA Freight Car Standards Defect Code The following defect code has been established for use...

49 CFR Appendix C to Part 215 - FRA Freight Car Standards Defect Code

Code of Federal Regulations, 2012 CFR

2012-10-01

... 49 Transportation 4 2012-10-01 2012-10-01 false FRA Freight Car Standards Defect Code C Appendix C... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD FREIGHT CAR SAFETY STANDARDS Pt. 215, App. C Appendix C to Part 215—FRA Freight Car Standards Defect Code The following defect code has been established for use...

49 CFR Appendix C to Part 215 - FRA Freight Car Standards Defect Code

Code of Federal Regulations, 2011 CFR

2011-10-01

... 49 Transportation 4 2011-10-01 2011-10-01 false FRA Freight Car Standards Defect Code C Appendix C... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD FREIGHT CAR SAFETY STANDARDS Pt. 215, App. C Appendix C to Part 215—FRA Freight Car Standards Defect Code The following defect code has been established for use...

Methods of treating complex space vehicle geometry for charged particle radiation transport

NASA Technical Reports Server (NTRS)

Hill, C. W.

1973-01-01

Current methods of treating complex geometry models for space radiation transport calculations are reviewed. The geometric techniques used in three computer codes are outlined. Evaluations of geometric capability and speed are provided for these codes. Although no code development work is included several suggestions for significantly improving complex geometry codes are offered.

Comparisons of anomalous and collisional radial transport with a continuum kinetic edge code

NASA Astrophysics Data System (ADS)

Bodi, K.; Krasheninnikov, S.; Cohen, R.; Rognlien, T.

2009-05-01

Modeling of anomalous (turbulence-driven) radial transport in controlled-fusion plasmas is necessary for long-time transport simulations. Here the focus is continuum kinetic edge codes such as the (2-D, 2-V) transport version of TEMPEST, NEO, and the code being developed by the Edge Simulation Laboratory, but the model also has wider application. Our previously developed anomalous diagonal transport matrix model with velocity-dependent convection and diffusion coefficients allows contact with typical fluid transport models (e.g., UEDGE). Results are presented that combine the anomalous transport model and collisional transport owing to ion drift orbits utilizing a Krook collision operator that conserves density and energy. Comparison is made of the relative magnitudes and possible synergistic effects of the two processes for typical tokamak device parameters.

Composite materials. Volume 3 - Engineering applications of composites. Volume 4 - Metallic matrix composites. Volume 8 - Structural design and analysis, Part 2

NASA Technical Reports Server (NTRS)

Noton, B. R. (Editor); Kreider, K. G.; Chamis, C. C.

1974-01-01

This volume discusses a vaety of applications of both low- and high-cost composite materials in a number of selected engineering fields. The text stresses the use of fiber-reinforced composites, along with interesting material systems used in the electrical and nuclear industries. As to technology transfer, a similarity is noted between many of the reasons responsible for the utilization of composites and those problems requiring urgent solution, such as mechanized fabrication processes and design for production. Features topics include road transportation, rail transportation, civil aircraft, space vehicles, builing industry, chemical plants, and appliances and equipment. The laminate orientation code devised by Air Force materials laboratory is included. Individual items are announced in this issue.

Benchmarking variable-density flow in saturated and unsaturated porous media

NASA Astrophysics Data System (ADS)

Guevara Morel, Carlos Roberto; Cremer, Clemens; Graf, Thomas

2015-04-01

In natural environments, fluid density and viscosity can be affected by spatial and temporal variations of solute concentration and/or temperature. These variations can occur, for example, due to salt water intrusion in coastal aquifers, leachate infiltration from waste disposal sites and upconing of saline water from deep aquifers. As a consequence, potentially unstable situations may exist in which a dense fluid overlies a less dense fluid. This situation can produce instabilities that manifest as dense plume fingers that move vertically downwards counterbalanced by vertical upwards flow of the less dense fluid. Resulting free convection increases solute transport rates over large distances and times relative to constant-density flow. Therefore, the understanding of free convection is relevant for the protection of freshwater aquifer systems. The results from a laboratory experiment of saturated and unsaturated variable-density flow and solute transport (Simmons et al., Transp. Porous Medium, 2002) are used as the physical basis to define a mathematical benchmark. The HydroGeoSphere code coupled with PEST are used to estimate the optimal parameter set capable of reproducing the physical model. A grid convergency analysis (in space and time) is also undertaken in order to obtain the adequate spatial and temporal discretizations. The new mathematical benchmark is useful for model comparison and testing of variable-density variably saturated flow in porous media.

Enhanced Verification Test Suite for Physics Simulation Codes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kamm, J R; Brock, J S; Brandon, S T

2008-10-10

This document discusses problems with which to augment, in quantity and in quality, the existing tri-laboratory suite of verification problems used by Los Alamos National Laboratory (LANL), Lawrence Livermore National Laboratory (LLNL), and Sandia National Laboratories (SNL). The purpose of verification analysis is demonstrate whether the numerical results of the discretization algorithms in physics and engineering simulation codes provide correct solutions of the corresponding continuum equations. The key points of this document are: (1) Verification deals with mathematical correctness of the numerical algorithms in a code, while validation deals with physical correctness of a simulation in a regime of interest.more » This document is about verification. (2) The current seven-problem Tri-Laboratory Verification Test Suite, which has been used for approximately five years at the DOE WP laboratories, is limited. (3) Both the methodology for and technology used in verification analysis have evolved and been improved since the original test suite was proposed. (4) The proposed test problems are in three basic areas: (a) Hydrodynamics; (b) Transport processes; and (c) Dynamic strength-of-materials. (5) For several of the proposed problems we provide a 'strong sense verification benchmark', consisting of (i) a clear mathematical statement of the problem with sufficient information to run a computer simulation, (ii) an explanation of how the code result and benchmark solution are to be evaluated, and (iii) a description of the acceptance criterion for simulation code results. (6) It is proposed that the set of verification test problems with which any particular code be evaluated include some of the problems described in this document. Analysis of the proposed verification test problems constitutes part of a necessary--but not sufficient--step that builds confidence in physics and engineering simulation codes. More complicated test cases, including physics models of greater sophistication or other physics regimes (e.g., energetic material response, magneto-hydrodynamics), would represent a scientifically desirable complement to the fundamental test cases discussed in this report. The authors believe that this document can be used to enhance the verification analyses undertaken at the DOE WP Laboratories and, thus, to improve the quality, credibility, and usefulness of the simulation codes that are analyzed with these problems.« less

Light transport feature for SCINFUL.

PubMed

Etaati, G R; Ghal-Eh, N

2008-03-01

An extended version of the scintillator response function prediction code SCINFUL has been developed by incorporating PHOTRACK, a Monte Carlo light transport code. Comparisons of calculated and experimental results for organic scintillators exposed to neutrons show that the extended code improves the predictive capability of SCINFUL.

First ERO2.0 modeling of Be erosion and non-local transport in JET ITER-like wall

NASA Astrophysics Data System (ADS)

Romazanov, J.; Borodin, D.; Kirschner, A.; Brezinsek, S.; Silburn, S.; Huber, A.; Huber, V.; Bufferand, H.; Firdaouss, M.; Brömmel, D.; Steinbusch, B.; Gibbon, P.; Lasa, A.; Borodkina, I.; Eksaeva, A.; Linsmeier, Ch; Contributors, JET

2017-12-01

ERO is a Monte-Carlo code for modeling plasma-wall interaction and 3D plasma impurity transport for applications in fusion research. The code has undergone a significant upgrade (ERO2.0) which allows increasing the simulation volume in order to cover the entire plasma edge of a fusion device, allowing a more self-consistent treatment of impurity transport and comparison with a larger number and variety of experimental diagnostics. In this contribution, the physics-relevant technical innovations of the new code version are described and discussed. The new capabilities of the code are demonstrated by modeling of beryllium (Be) erosion of the main wall during JET limiter discharges. Results for erosion patterns along the limiter surfaces and global Be transport including incident particle distributions are presented. A novel synthetic diagnostic, which mimics experimental wide-angle 2D camera images, is presented and used for validating various aspects of the code, including erosion, magnetic shadowing, non-local impurity transport, and light emission simulation.

Modeling fission product vapor transport in the Falcon facility

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shepherd, I.M.; Drossinos, Y.; Benson, C.G.

1995-05-01

An extensive database of aerosol Experiments exists and has been used for checking aerosol transport codes. Data for fission product vapor transport are harder to find. Some qualitative data are available, but the Falcon thermal gradient tube tests carried out at AEA Technology`s laboratories in Winfrith, England, mark the first serious attempt to provide a set of experiments suitable for the validation of codes that predict the transport and condensation of realistic mixtures of fission product vapors. Four of these have been analyzed to check how well the computer code VICTORIA can predict the most important phenomena. Of the fourmore » experiments studied, two are reference cases (FAL-17 and FAL-19), one is a case without boric acid (FAL-18), and the other is run in a reducing atmosphere (FAL-20). The results show that once the vapors condense onto aerosols, VICTORIA can predict their deposition rather well. The dominant mechanism is thermophoresis, and each element deposits with more or less the same deposition velocity. The behavior of the vapors is harder to interpret. Essentially, it is important to know the temperature at which each element condenses. It is clear from the measurements that this temperature changed from test to test-caused mostly by the different speciation as the composition of the carrier gas and the relative concentration of other fission products changed. Only in the test with a steam atmosphere and without boric acid was the assumption valid that most of the iodine is cesium iodide and most of the cesium is cesium hydroxide. In general, VICTORIA predicts that, with the exception of cesium, there will be less variation in the speciation-and, hence, variation in the deposition-between tests than is in fact observed. VICTORIA underpredicts the volatility of most elements, and this is partly a consequence of the ideal solution assumption and partly an overestimation of vapor/aerosol interactions.« less

COMBINED MODELING OF ACCELERATION, TRANSPORT, AND HYDRODYNAMIC RESPONSE IN SOLAR FLARES. I. THE NUMERICAL MODEL

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu Wei; Petrosian, Vahe; Mariska, John T.

2009-09-10

Acceleration and transport of high-energy particles and fluid dynamics of atmospheric plasma are interrelated aspects of solar flares, but for convenience and simplicity they were artificially separated in the past. We present here self-consistently combined Fokker-Planck modeling of particles and hydrodynamic simulation of flare plasma. Energetic electrons are modeled with the Stanford unified code of acceleration, transport, and radiation, while plasma is modeled with the Naval Research Laboratory flux tube code. We calculated the collisional heating rate directly from the particle transport code, which is more accurate than those in previous studies based on approximate analytical solutions. We repeated themore » simulation of Mariska et al. with an injection of power law, downward-beamed electrons using the new heating rate. For this case, a {approx}10% difference was found from their old result. We also used a more realistic spectrum of injected electrons provided by the stochastic acceleration model, which has a smooth transition from a quasi-thermal background at low energies to a nonthermal tail at high energies. The inclusion of low-energy electrons results in relatively more heating in the corona (versus chromosphere) and thus a larger downward heat conduction flux. The interplay of electron heating, conduction, and radiative loss leads to stronger chromospheric evaporation than obtained in previous studies, which had a deficit in low-energy electrons due to an arbitrarily assumed low-energy cutoff. The energy and spatial distributions of energetic electrons and bremsstrahlung photons bear signatures of the changing density distribution caused by chromospheric evaporation. In particular, the density jump at the evaporation front gives rise to enhanced emission, which, in principle, can be imaged by X-ray telescopes. This model can be applied to investigate a variety of high-energy processes in solar, space, and astrophysical plasmas.« less

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

NASA Astrophysics Data System (ADS)

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/dispersion are introduced as irreversible reactions. An example for the coupling of PHREEQC and MATLAB for the solution of unsaturated flow and transport is provided.

Real-case benchmark for flow and tracer transport in the fractured rock

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hokr, M.; Shao, H.; Gardner, W. P.

The paper is intended to define a benchmark problem related to groundwater flow and natural tracer transport using observations of discharge and isotopic tracers in fractured, crystalline rock. Three numerical simulators: Flow123d, OpenGeoSys, and PFLOTRAN are compared. The data utilized in the project were collected in a water-supply tunnel in granite of the Jizera Mountains, Bedrichov, Czech Republic. The problem configuration combines subdomains of different dimensions, 3D continuum for hard-rock blocks or matrix and 2D features for fractures or fault zones, together with realistic boundary conditions for tunnel-controlled drainage. Steady-state and transient flow and a pulse injection tracer transport problemmore » are solved. The results confirm mostly consistent behavior of the codes. Both the codes Flow123d and OpenGeoSys with 3D–2D coupling implemented differ by several percent in most cases, which is appropriate to, e.g., effects of discrete unknown placing in the mesh. Some of the PFLOTRAN results differ more, which can be explained by effects of the dispersion tensor evaluation scheme and of the numerical diffusion. Here, the phenomenon can get stronger with fracture/matrix coupling and with parameter magnitude contrasts. Although the study was not aimed on inverse solution, the models were fit to the measured data approximately, demonstrating the intended real-case relevance of the benchmark.« less

Real-case benchmark for flow and tracer transport in the fractured rock

DOE PAGES

Hokr, M.; Shao, H.; Gardner, W. P.; ...

2016-09-19

The paper is intended to define a benchmark problem related to groundwater flow and natural tracer transport using observations of discharge and isotopic tracers in fractured, crystalline rock. Three numerical simulators: Flow123d, OpenGeoSys, and PFLOTRAN are compared. The data utilized in the project were collected in a water-supply tunnel in granite of the Jizera Mountains, Bedrichov, Czech Republic. The problem configuration combines subdomains of different dimensions, 3D continuum for hard-rock blocks or matrix and 2D features for fractures or fault zones, together with realistic boundary conditions for tunnel-controlled drainage. Steady-state and transient flow and a pulse injection tracer transport problemmore » are solved. The results confirm mostly consistent behavior of the codes. Both the codes Flow123d and OpenGeoSys with 3D–2D coupling implemented differ by several percent in most cases, which is appropriate to, e.g., effects of discrete unknown placing in the mesh. Some of the PFLOTRAN results differ more, which can be explained by effects of the dispersion tensor evaluation scheme and of the numerical diffusion. Here, the phenomenon can get stronger with fracture/matrix coupling and with parameter magnitude contrasts. Although the study was not aimed on inverse solution, the models were fit to the measured data approximately, demonstrating the intended real-case relevance of the benchmark.« less

SOPHAEROS code development and its application to falcon tests

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lajtha, G.; Missirlian, M.; Kissane, M.

1996-12-31

One of the key issues in source-term evaluation in nuclear reactor severe accidents is determination of the transport behavior of fission products released from the degrading core. The SOPHAEROS computer code is being developed to predict fission product transport in a mechanistic way in light water reactor circuits. These applications of the SOPHAEROS code to the Falcon experiments, among others not presented here, indicate that the numerical scheme of the code is robust, and no convergence problems are encountered. The calculation is also very fast being three times longer on a Sun SPARC 5 workstation than real time and typicallymore » {approx} 10 times faster than an identical calculation with the VICTORIA code. The study demonstrates that the SOPHAEROS 1.3 code is a suitable tool for prediction of the vapor chemistry and fission product transport with a reasonable level of accuracy. Furthermore, the fexibility of the code material data bank allows improvement of understanding of fission product transport and deposition in the circuit. Performing sensitivity studies with different chemical species or with different properties (saturation pressure, chemical equilibrium constants) is very straightforward.« less

Intact coding region of the serotonin transporter gene in obsessive-compulsive disorder

DOE Office of Scientific and Technical Information (OSTI.GOV)

Altemus, M.; Murphy, D.L.; Greenberg, B.

1996-07-26

Epidemiologic studies indicate that obsessive-compulsive disorder is genetically transmitted in some families, although no genetic abnormalities have been identified in individuals with this disorder. The selective response of obsessive-compulsive disorder to treatment with agents which block serotonin reuptake suggests the gene coding for the serotonin transporter as a candidate gene. The primary structure of the serotonin-transporter coding region was sequenced in 22 patients with obsessive-compulsive disorder, using direct PCR sequencing of cDNA synthesized from platelet serotonin-transporter mRNA. No variations in amino acid sequence were found among the obsessive-compulsive disorder patients or healthy controls. These results do not support a rolemore » for alteration in the primary structure of the coding region of the serotonin-transporter gene in the pathogenesis of obsessive-compulsive disorder. 27 refs.« less

Evolution of Structure and Composition in Saturn's Rings Due to Ballistic Transport of Micrometeoroid Impact Ejecta

NASA Astrophysics Data System (ADS)

Estrada, P. R.; Durisen, R. H.; Cuzzi, J. N.

2014-04-01

We introduce improved numerical techniques for simulating the structural and compositional evolution of planetary rings due to micrometeoroid bombardment and subsequent ballistic transport of impact ejecta. Our current, robust code, which is based on the original structural code of [1] and on the pollution transport code of [3], is capable of modeling structural changes and pollution transport simultaneously over long times on both local and global scales. We provide demonstrative simulations to compare with, and extend upon previous work, as well as examples of how ballistic transport can maintain the observed structure in Saturn's rings using available Cassini occultation optical depth data.

The FLUKA code for space applications: recent developments

NASA Technical Reports Server (NTRS)

Andersen, V.; Ballarini, F.; Battistoni, G.; Campanella, M.; Carboni, M.; Cerutti, F.; Empl, A.; Fasso, A.; Ferrari, A.; Gadioli, E.;

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wollaeger, Ryan T.; Van Rossum, Daniel R., E-mail: wollaeger@wisc.edu, E-mail: daan@flash.uchicago.edu

Implicit Monte Carlo (IMC) and Discrete Diffusion Monte Carlo (DDMC) are methods used to stochastically solve the radiative transport and diffusion equations, respectively. These methods combine into a hybrid transport-diffusion method we refer to as IMC-DDMC. We explore a multigroup IMC-DDMC scheme that in DDMC, combines frequency groups with sufficient optical thickness. We term this procedure ''opacity regrouping''. Opacity regrouping has previously been applied to IMC-DDMC calculations for problems in which the dependence of the opacity on frequency is monotonic. We generalize opacity regrouping to non-contiguous groups and implement this in SuperNu, a code designed to do radiation transport inmore » high-velocity outflows with non-monotonic opacities. We find that regrouping of non-contiguous opacity groups generally improves the speed of IMC-DDMC radiation transport. We present an asymptotic analysis that informs the nature of the Doppler shift in DDMC groups and summarize the derivation of the Gentile-Fleck factor for modified IMC-DDMC. We test SuperNu using numerical experiments including a quasi-manufactured analytic solution, a simple 10 group problem, and the W7 problem for Type Ia supernovae. We find that opacity regrouping is necessary to make our IMC-DDMC implementation feasible for the W7 problem and possibly Type Ia supernova simulations in general. We compare the bolometric light curves and spectra produced by the SuperNu and PHOENIX radiation transport codes for the W7 problem. The overall shape of the bolometric light curves are in good agreement, as are the spectra and their evolution with time. However, for the numerical specifications we considered, we find that the peak luminosity of the light curve calculated using SuperNu is ∼10% less than that calculated using PHOENIX.« less

Phase-space finite elements in a least-squares solution of the transport equation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Drumm, C.; Fan, W.; Pautz, S.

2013-07-01

The linear Boltzmann transport equation is solved using a least-squares finite element approximation in the space, angular and energy phase-space variables. The method is applied to both neutral particle transport and also to charged particle transport in the presence of an electric field, where the angular and energy derivative terms are handled with the energy/angular finite elements approximation, in a manner analogous to the way the spatial streaming term is handled. For multi-dimensional problems, a novel approach is used for the angular finite elements: mapping the surface of a unit sphere to a two-dimensional planar region and using a meshingmore » tool to generate a mesh. In this manner, much of the spatial finite-elements machinery can be easily adapted to handle the angular variable. The energy variable and the angular variable for one-dimensional problems make use of edge/beam elements, also building upon the spatial finite elements capabilities. The methods described here can make use of either continuous or discontinuous finite elements in space, angle and/or energy, with the use of continuous finite elements resulting in a smaller problem size and the use of discontinuous finite elements resulting in more accurate solutions for certain types of problems. The work described in this paper makes use of continuous finite elements, so that the resulting linear system is symmetric positive definite and can be solved with a highly efficient parallel preconditioned conjugate gradients algorithm. The phase-space finite elements capability has been built into the Sceptre code and applied to several test problems, including a simple one-dimensional problem with an analytic solution available, a two-dimensional problem with an isolated source term, showing how the method essentially eliminates ray effects encountered with discrete ordinates, and a simple one-dimensional charged-particle transport problem in the presence of an electric field. (authors)« less

High Speed Civil Transport Aircraft Simulation: Reference-H Cycle 1, MATLAB Implementation

NASA Technical Reports Server (NTRS)

Sotack, Robert A.; Chowdhry, Rajiv S.; Buttrill, Carey S.

1999-01-01

The mathematical model and associated code to simulate a high speed civil transport aircraft - the Boeing Reference H configuration - are described. The simulation was constructed in support of advanced control law research. In addition to providing time histories of the dynamic response, the code includes the capabilities for calculating trim solutions and for generating linear models. The simulation relies on the nonlinear, six-degree-of-freedom equations which govern the motion of a rigid aircraft in atmospheric flight. The 1962 Standard Atmosphere Tables are used along with a turbulence model to simulate the Earth atmosphere. The aircraft model has three parts - an aerodynamic model, an engine model, and a mass model. These models use the data from the Boeing Reference H cycle 1 simulation data base. Models for the actuator dynamics, landing gear, and flight control system are not included in this aircraft model. Dynamic responses generated by the nonlinear simulation are presented and compared with results generated from alternate simulations at Boeing Commercial Aircraft Company and NASA Langley Research Center. Also, dynamic responses generated using linear models are presented and compared with dynamic responses generated using the nonlinear simulation.

Sensitivity of the Boundary Plasma to the Plasma-Material Interface

DOE PAGES

Canik, John M.; Tang, X. -Z.

2017-01-01

While the sensitivity of the scrape-off layer and divertor plasma to the highly uncertain cross-field transport assumptions is widely recognized, the plasma is also sensitive to the details of the plasma-material interface (PMI) models used as part of comprehensive predictive simulations. Here in this paper, these PMI sensitivities are studied by varying the relevant sub-models within the SOLPS plasma transport code. Two aspects are explored: the sheath model used as a boundary condition in SOLPS, and fast particle reflection rates for ions impinging on a material surface. Both of these have been the study of recent high-fidelity simulation efforts aimedmore » at improving the understanding and prediction of these phenomena. It is found that in both cases quantitative changes to the plasma solution result from modification of the PMI model, with a larger impact in the case of the reflection coefficient variation. Finally, this indicates the necessity to better quantify the uncertainties within the PMI models themselves, and perform thorough sensitivity analysis to propagate these throughout the boundary model; this is especially important for validation against experiment, where the error in the simulation is a critical and less-studied piece of the code-experiment comparison.« less

BioFVM: an efficient, parallelized diffusive transport solver for 3-D biological simulations

PubMed Central

Ghaffarizadeh, Ahmadreza; Friedman, Samuel H.; Macklin, Paul

2016-01-01

Motivation: Computational models of multicellular systems require solving systems of PDEs for release, uptake, decay and diffusion of multiple substrates in 3D, particularly when incorporating the impact of drugs, growth substrates and signaling factors on cell receptors and subcellular systems biology. Results: We introduce BioFVM, a diffusive transport solver tailored to biological problems. BioFVM can simulate release and uptake of many substrates by cell and bulk sources, diffusion and decay in large 3D domains. It has been parallelized with OpenMP, allowing efficient simulations on desktop workstations or single supercomputer nodes. The code is stable even for large time steps, with linear computational cost scalings. Solutions are first-order accurate in time and second-order accurate in space. The code can be run by itself or as part of a larger simulator. Availability and implementation: BioFVM is written in C ++ with parallelization in OpenMP. It is maintained and available for download at http://BioFVM.MathCancer.org and http://BioFVM.sf.net under the Apache License (v2.0). Contact: paul.macklin@usc.edu. Supplementary information: Supplementary data are available at Bioinformatics online. PMID:26656933

A comparative histological study of alginate beads as a promising controlled release delivery for mefenamic acid.

PubMed

Sevgi, Ferhan; Kaynarsoy, Buket; Ozyazici, Mine; Pekcetin, Cetin; Ozyurt, Dogan

2008-01-01

The new mefenamic acid-alginate bead formulation prepared by ionotropic gelation method using 3 x 2(2) factorial design has shown adequate controlled release properties in vitro. In the present study, the irritation effects of mefenamic acid (MA), a prominent non-steroidal anti-inflammatory (NSAI) drug, were evaluated on rat gastric and duodenal mucosa when suspended in 0.5% (w/v) sodiumcarboxymethylcellulose (NaCMC) solution and loaded in alginate beads. Wistar albino rats weighing 200 +/- 50 g were used during in vivo animal studies. In this work, biodegradable controlled release MA beads and free MA were evaluated according to the degree of gastric or duodenal damage following oral administration in rats. The gastric and duodenal mucosa was examined for any haemorrhagic changes. Formulation code A10 showing both Case II transport and zero order drug release and t(50) % value of 5.22 h was chosen for in vivo animal studies. For in vivo trials, free MA (100 mgkg(-1)), blank and MA (100 mgkg(-1)) loaded alginate beads (formulation code A10) were suspended in 0.5% (w/v) NaCMC solution and each group was given to six rats orally by gavage. NaCMC solution was used as a control in experimental studies. In vivo data showed that the administration of MA in alginate beads prevented the gastric lesions.

Validation of the SINDA/FLUINT code using several analytical solutions

NASA Technical Reports Server (NTRS)

Keller, John R.

1995-01-01

The Systems Improved Numerical Differencing Analyzer and Fluid Integrator (SINDA/FLUINT) code has often been used to determine the transient and steady-state response of various thermal and fluid flow networks. While this code is an often used design and analysis tool, the validation of this program has been limited to a few simple studies. For the current study, the SINDA/FLUINT code was compared to four different analytical solutions. The thermal analyzer portion of the code (conduction and radiative heat transfer, SINDA portion) was first compared to two separate solutions. The first comparison examined a semi-infinite slab with a periodic surface temperature boundary condition. Next, a small, uniform temperature object (lumped capacitance) was allowed to radiate to a fixed temperature sink. The fluid portion of the code (FLUINT) was also compared to two different analytical solutions. The first study examined a tank filling process by an ideal gas in which there is both control volume work and heat transfer. The final comparison considered the flow in a pipe joining two infinite reservoirs of pressure. The results of all these studies showed that for the situations examined here, the SINDA/FLUINT code was able to match the results of the analytical solutions.

Comparing Turbulence Simulation with Experiment in DIII-D

NASA Astrophysics Data System (ADS)

Ross, D. W.; Bravenec, R. V.; Dorland, W.; Beer, M. A.; Hammett, G. W.; McKee, G. R.; Murakami, M.; Jackson, G. L.

2000-10-01

Gyrofluid simulations of DIII-D discharges with the GRYFFIN code(D. W. Ross et al.), Transport Task Force Workshop, Burlington, VT, (2000). are compared with transport and fluctuation measurements. The evolution of confinement-improved discharges(G. R. McKee et al.), Phys. Plasmas 7, 1870 (200) is studied at early times following impurity injection, when EXB rotational shear plays a small role. The ion thermal transport predicted by the code is consistent with the experimental values. Experimentally, changes in density profiles resulting from the injection of neon, lead to reduction in fluctuation levels and transport following the injection. This triggers subsequent changes in the shearing rate that further reduce the turbulence.(M. Murakami et al.), European Physical Society, Budapest (2000); M. Murakami et al., this meeting. Estimated uncertainties in the plasma profiles, however, make it difficult to simulate these reductions with the code. These cases will also be studied with the GS2 gyrokinetic code.

Integrated modelling of steady-state scenarios and heating and current drive mixes for ITER

DOE Office of Scientific and Technical Information (OSTI.GOV)

Murakami, Masanori; Park, Jin Myung; Giruzzi, G.

2011-01-01

Recent progress on ITER steady-state (SS) scenario modelling by the ITPA-IOS group is reviewed. Code-to-code benchmarks as the IOS group's common activities for the two SS scenarios (weak shear scenario and internal transport barrier scenario) are discussed in terms of transport, kinetic profiles, and heating and current drive (CD) sources using various transport codes. Weak magnetic shear scenarios integrate the plasma core and edge by combining a theory-based transport model (GLF23) with scaled experimental boundary profiles. The edge profiles (at normalized radius rho = 0.8-1.0) are adopted from an edge-localized mode-averaged analysis of a DIII-D ITER demonstration discharge. A fullymore » noninductive SS scenario is achieved with fusion gain Q = 4.3, noninductive fraction f(NI) = 100%, bootstrap current fraction f(BS) = 63% and normalized beta beta(N) = 2.7 at plasma current I(p) = 8MA and toroidal field B(T) = 5.3 T using ITER day-1 heating and CD capability. Substantial uncertainties come from outside the radius of setting the boundary conditions (rho = 0.8). The present simulation assumed that beta(N)(rho) at the top of the pedestal (rho = 0.91) is about 25% above the peeling-ballooning threshold. ITER will have a challenge to achieve the boundary, considering different operating conditions (T(e)/T(i) approximate to 1 and density peaking). Overall, the experimentally scaled edge is an optimistic side of the prediction. A number of SS scenarios with different heating and CD mixes in a wide range of conditions were explored by exploiting the weak-shear steady-state solution procedure with the GLF23 transport model and the scaled experimental edge. The results are also presented in the operation space for DT neutron power versus stationary burn pulse duration with assumed poloidal flux availability at the beginning of stationary burn, indicating that the long pulse operation goal (3000s) at I(p) = 9 MA is possible. Source calculations in these simulations have been revised for electron cyclotron current drive including parallel momentum conservation effects and for neutral beam current drive with finite orbit and magnetic pitch effects.« less

Improvement of transport-corrected scattering stability and performance using a Jacobi inscatter algorithm for 2D-MOC

DOE PAGES

Stimpson, Shane; Collins, Benjamin; Kochunas, Brendan

2017-03-10

The MPACT code, being developed collaboratively by the University of Michigan and Oak Ridge National Laboratory, is the primary deterministic neutron transport solver being deployed within the Virtual Environment for Reactor Applications (VERA) as part of the Consortium for Advanced Simulation of Light Water Reactors (CASL). In many applications of the MPACT code, transport-corrected scattering has proven to be an obstacle in terms of stability, and considerable effort has been made to try to resolve the convergence issues that arise from it. Most of the convergence problems seem related to the transport-corrected cross sections, particularly when used in the 2Dmore » method of characteristics (MOC) solver, which is the focus of this work. Here in this paper, the stability and performance of the 2-D MOC solver in MPACT is evaluated for two iteration schemes: Gauss-Seidel and Jacobi. With the Gauss-Seidel approach, as the MOC solver loops over groups, it uses the flux solution from the previous group to construct the inscatter source for the next group. Alternatively, the Jacobi approach uses only the fluxes from the previous outer iteration to determine the inscatter source for each group. Consequently for the Jacobi iteration, the loop over groups can be moved from the outermost loop$-$as is the case with the Gauss-Seidel sweeper$-$to the innermost loop, allowing for a substantial increase in efficiency by minimizing the overhead of retrieving segment, region, and surface index information from the ray tracing data. Several test problems are assessed: (1) Babcock & Wilcox 1810 Core I, (2) Dimple S01A-Sq, (3) VERA Progression Problem 5a, and (4) VERA Problem 2a. The Jacobi iteration exhibits better stability than Gauss-Seidel, allowing for converged solutions to be obtained over a much wider range of iteration control parameters. Additionally, the MOC solve time with the Jacobi approach is roughly 2.0-2.5× faster per sweep. While the performance and stability of the Jacobi iteration are substantially improved compared to the Gauss-Seidel iteration, it does yield a roughly 8$-$10% increase in the overall memory requirement.« less

Problems, solutions and recommendations for implementing CODES (Crash Outcome Data Evaluation System)

DOT National Transportation Integrated Search

2001-02-01

Problems, solutions and recommendations for implementation have been contributed by 16 of the 27 CODES states and organized as appropriate under the administrative, linkage and application requirements for a Crash Outcome Data Evaluation System (CODE...

Gyrokinetic Particle Simulation of Turbulent Transport in Burning Plasmas (GPS - TTBP) Final Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chame, Jacqueline

2011-05-27

The goal of this project is the development of the Gyrokinetic Toroidal Code (GTC) Framework and its applications to problems related to the physics of turbulence and turbulent transport in tokamaks,. The project involves physics studies, code development, noise effect mitigation, supporting computer science efforts, diagnostics and advanced visualizations, verification and validation. Its main scientific themes are mesoscale dynamics and non-locality effects on transport, the physics of secondary structures such as zonal flows, and strongly coherent wave-particle interaction phenomena at magnetic precession resonances. Special emphasis is placed on the implications of these themes for rho-star and current scalings and formore » the turbulent transport of momentum. GTC-TTBP also explores applications to electron thermal transport, particle transport; ITB formation and cross-cuts such as edge-core coupling, interaction of energetic particles with turbulence and neoclassical tearing mode trigger dynamics. Code development focuses on major initiatives in the development of full-f formulations and the capacity to simulate flux-driven transport. In addition to the full-f -formulation, the project includes the development of numerical collision models and methods for coarse graining in phase space. Verification is pursued by linear stability study comparisons with the FULL and HD7 codes and by benchmarking with the GKV, GYSELA and other gyrokinetic simulation codes. Validation of gyrokinetic models of ion and electron thermal transport is pursed by systematic stressing comparisons with fluctuation and transport data from the DIII-D and NSTX tokamaks. The physics and code development research programs are supported by complementary efforts in computer sciences, high performance computing, and data management.« less

Code-Phase Clock Bias and Frequency Offset in PPP Clock Solutions.

PubMed

Defraigne, Pascale; Sleewaegen, Jean-Marie

2016-07-01

Precise point positioning (PPP) is a zero-difference single-station technique that has proved to be very effective for time and frequency transfer, enabling the comparison of atomic clocks with a precision of a hundred picoseconds and a one-day stability below the 1e-15 level. It was, however, noted that for some receivers, a frequency difference is observed between the clock solution based on the code measurements and the clock solution based on the carrier-phase measurements. These observations reveal some inconsistency either between the code and carrier phases measured by the receiver or between the data analysis strategy of codes and carrier phases. One explanation for this discrepancy is the time offset that can exist for some receivers between the code and the carrier-phase latching. This paper explains how a code-phase bias in the receiver hardware can induce a frequency difference between the code and the carrier-phase clock solutions. The impact on PPP is then quantified. Finally, the possibility to determine this code-phase bias in the PPP modeling is investigated, and the first results are shown to be inappropriate due to the high level of code noise.

Overview of Recent Radiation Transport Code Comparisons for Space Applications

NASA Astrophysics Data System (ADS)

Townsend, Lawrence

Recent advances in radiation transport code development for space applications have resulted in various comparisons of code predictions for a variety of scenarios and codes. Comparisons among both Monte Carlo and deterministic codes have been made and published by vari-ous groups and collaborations, including comparisons involving, but not limited to HZETRN, HETC-HEDS, FLUKA, GEANT, PHITS, and MCNPX. In this work, an overview of recent code prediction inter-comparisons, including comparisons to available experimental data, is presented and discussed, with emphases on those areas of agreement and disagreement among the various code predictions and published data.

Efficient Radiative Transfer for Dynamically Evolving Stratified Atmospheres

NASA Astrophysics Data System (ADS)

Judge, Philip G.

2017-12-01

We present a fast multi-level and multi-atom non-local thermodynamic equilibrium radiative transfer method for dynamically evolving stratified atmospheres, such as the solar atmosphere. The preconditioning method of Rybicki & Hummer (RH92) is adopted. But, pressed for the need of speed and stability, a “second-order escape probability” scheme is implemented within the framework of the RH92 method, in which frequency- and angle-integrals are carried out analytically. While minimizing the computational work needed, this comes at the expense of numerical accuracy. The iteration scheme is local, the formal solutions for the intensities are the only non-local component. At present the methods have been coded for vertical transport, applicable to atmospheres that are highly stratified. The probabilistic method seems adequately fast, stable, and sufficiently accurate for exploring dynamical interactions between the evolving MHD atmosphere and radiation using current computer hardware. Current 2D and 3D dynamics codes do not include this interaction as consistently as the current method does. The solutions generated may ultimately serve as initial conditions for dynamical calculations including full 3D radiative transfer. The National Center for Atmospheric Research is sponsored by the National Science Foundation.

Application of a hybrid MPI/OpenMP approach for parallel groundwater model calibration using multi-core computers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tang, Guoping; D'Azevedo, Ed F; Zhang, Fan

2010-01-01

Calibration of groundwater models involves hundreds to thousands of forward solutions, each of which may solve many transient coupled nonlinear partial differential equations, resulting in a computationally intensive problem. We describe a hybrid MPI/OpenMP approach to exploit two levels of parallelisms in software and hardware to reduce calibration time on multi-core computers. HydroGeoChem 5.0 (HGC5) is parallelized using OpenMP for direct solutions for a reactive transport model application, and a field-scale coupled flow and transport model application. In the reactive transport model, a single parallelizable loop is identified to account for over 97% of the total computational time using GPROF.more » Addition of a few lines of OpenMP compiler directives to the loop yields a speedup of about 10 on a 16-core compute node. For the field-scale model, parallelizable loops in 14 of 174 HGC5 subroutines that require 99% of the execution time are identified. As these loops are parallelized incrementally, the scalability is found to be limited by a loop where Cray PAT detects over 90% cache missing rates. With this loop rewritten, similar speedup as the first application is achieved. The OpenMP-parallelized code can be run efficiently on multiple workstations in a network or multiple compute nodes on a cluster as slaves using parallel PEST to speedup model calibration. To run calibration on clusters as a single task, the Levenberg Marquardt algorithm is added to HGC5 with the Jacobian calculation and lambda search parallelized using MPI. With this hybrid approach, 100 200 compute cores are used to reduce the calibration time from weeks to a few hours for these two applications. This approach is applicable to most of the existing groundwater model codes for many applications.« less

A comparative study of space radiation organ doses and associated cancer risks using PHITS and HZETRN.

PubMed

Bahadori, Amir A; Sato, Tatsuhiko; Slaba, Tony C; Shavers, Mark R; Semones, Edward J; Van Baalen, Mary; Bolch, Wesley E

2013-10-21

NASA currently uses one-dimensional deterministic transport to generate values of the organ dose equivalent needed to calculate stochastic radiation risk following crew space exposures. In this study, organ absorbed doses and dose equivalents are calculated for 50th percentile male and female astronaut phantoms using both the NASA High Charge and Energy Transport Code to perform one-dimensional deterministic transport and the Particle and Heavy Ion Transport Code System to perform three-dimensional Monte Carlo transport. Two measures of radiation risk, effective dose and risk of exposure-induced death (REID) are calculated using the organ dose equivalents resulting from the two methods of radiation transport. For the space radiation environments and simplified shielding configurations considered, small differences (<8%) in the effective dose and REID are found. However, for the galactic cosmic ray (GCR) boundary condition, compensating errors are observed, indicating that comparisons between the integral measurements of complex radiation environments and code calculations can be misleading. Code-to-code benchmarks allow for the comparison of differential quantities, such as secondary particle differential fluence, to provide insight into differences observed in integral quantities for particular components of the GCR spectrum.

A comparative study of space radiation organ doses and associated cancer risks using PHITS and HZETRN

NASA Astrophysics Data System (ADS)

Bahadori, Amir A.; Sato, Tatsuhiko; Slaba, Tony C.; Shavers, Mark R.; Semones, Edward J.; Van Baalen, Mary; Bolch, Wesley E.

2013-10-01

NASA currently uses one-dimensional deterministic transport to generate values of the organ dose equivalent needed to calculate stochastic radiation risk following crew space exposures. In this study, organ absorbed doses and dose equivalents are calculated for 50th percentile male and female astronaut phantoms using both the NASA High Charge and Energy Transport Code to perform one-dimensional deterministic transport and the Particle and Heavy Ion Transport Code System to perform three-dimensional Monte Carlo transport. Two measures of radiation risk, effective dose and risk of exposure-induced death (REID) are calculated using the organ dose equivalents resulting from the two methods of radiation transport. For the space radiation environments and simplified shielding configurations considered, small differences (<8%) in the effective dose and REID are found. However, for the galactic cosmic ray (GCR) boundary condition, compensating errors are observed, indicating that comparisons between the integral measurements of complex radiation environments and code calculations can be misleading. Code-to-code benchmarks allow for the comparison of differential quantities, such as secondary particle differential fluence, to provide insight into differences observed in integral quantities for particular components of the GCR spectrum.

Solute transport and storage mechanisms in wetlands of the Everglades, south Florida

USGS Publications Warehouse

Harvey, Judson W.; Saiers, James E.; Newlin, Jessica T.

2005-01-01

Solute transport and storage processes in wetlands play an important role in biogeochemical cycling and in wetland water quality functions. In the wetlands of the Everglades, there are few data or guidelines to characterize transport through the heterogeneous flow environment. Our goal was to conduct a tracer study to help quantify solute exchange between the relatively fast flowing water in the open part of the water column and much more slowly moving water in thick floating vegetation and in the pore water of the underlying peat. We performed a tracer experiment that consisted of a constant‐rate injection of a sodium bromide (NaBr) solution for 22 hours into a 3 m wide, open‐ended flume channel in Everglades National Park. Arrival of the bromide tracer was monitored at an array of surface water and subsurface samplers for 48 hours at a distance of 6.8 m downstream of the injection. A one‐dimensional transport model was used in combination with an optimization code to identify the values of transport parameters that best explained the tracer observations. Parameters included dimensions and mass transfer coefficients describing exchange with both short (hours) and longer (tens of hours) storage zones as well as the average rates of advection and longitudinal dispersion in the open part of the water column (referred to as the “main flow zone”). Comparison with a more detailed set of tracer measurements tested how well the model's storage zones approximated the average characteristics of tracer movement into and out of the layer of thick floating vegetation and the pore water in the underlying peat. The rate at which the relatively fast moving water in the open water column was exchanged with slowly moving water in the layer of floating vegetation and in sediment pore water amounted to 50 and 3% h−1, respectively. Storage processes decreased the depth‐averaged velocity of surface water by 50% relative to the water velocity in the open part of the water column. As a result, flow measurements made with other methods that only work in the open part of the water column (e.g., acoustic Doppler) would have overestimated the true depth‐averaged velocity by a factor of 2. We hypothesize that solute exchange and storage in zones of floating vegetation and peat pore water increase contact time of solutes with biogeochemically active surfaces in this heterogeneous wetland environment.

MILSTAMP TACs: Military Standard Transportation and Movement Procedures Transportation Account Codes. Volume 2

DTIC Science & Technology

1987-02-15

this chapter. NO - If shipment is not second des - tination transportation , obtain fund cite per yes response for question 2 above. 4. For Direct Support...return . . . . . . . . .0 . . . . . . . a. . .. A820 (8) LOGAIR/QUICKTRANS. Transportation Account Codes de - signed herein are applicable to the...oo~• na~- Transportation Tis Document Contains Tasotto Missing Page/s That Are Unavailable In The And Original Document Movement sdocument has boon

Transport Corrections in Nodal Diffusion Codes for HTR Modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abderrafi M. Ougouag; Frederick N. Gleicher

2010-08-01

The cores and reflectors of High Temperature Reactors (HTRs) of the Next Generation Nuclear Plant (NGNP) type are dominantly diffusive media from the point of view of behavior of the neutrons and their migration between the various structures of the reactor. This means that neutron diffusion theory is sufficient for modeling most features of such reactors and transport theory may not be needed for most applications. Of course, the above statement assumes the availability of homogenized diffusion theory data. The statement is true for most situations but not all. Two features of NGNP-type HTRs require that the diffusion theory-based solutionmore » be corrected for local transport effects. These two cases are the treatment of burnable poisons (BP) in the case of the prismatic block reactors and, for both pebble bed reactor (PBR) and prismatic block reactor (PMR) designs, that of control rods (CR) embedded in non-multiplying regions near the interface between fueled zones and said non-multiplying zones. The need for transport correction arises because diffusion theory-based solutions appear not to provide sufficient fidelity in these situations.« less

An open, object-based modeling approach for simulating subsurface heterogeneity

NASA Astrophysics Data System (ADS)

Bennett, J.; Ross, M.; Haslauer, C. P.; Cirpka, O. A.

2017-12-01

Characterization of subsurface heterogeneity with respect to hydraulic and geochemical properties is critical in hydrogeology as their spatial distribution controls groundwater flow and solute transport. Many approaches of characterizing subsurface heterogeneity do not account for well-established geological concepts about the deposition of the aquifer materials; those that do (i.e. process-based methods) often require forcing parameters that are difficult to derive from site observations. We have developed a new method for simulating subsurface heterogeneity that honors concepts of sequence stratigraphy, resolves fine-scale heterogeneity and anisotropy of distributed parameters, and resembles observed sedimentary deposits. The method implements a multi-scale hierarchical facies modeling framework based on architectural element analysis, with larger features composed of smaller sub-units. The Hydrogeological Virtual Reality simulator (HYVR) simulates distributed parameter models using an object-based approach. Input parameters are derived from observations of stratigraphic morphology in sequence type-sections. Simulation outputs can be used for generic simulations of groundwater flow and solute transport, and for the generation of three-dimensional training images needed in applications of multiple-point geostatistics. The HYVR algorithm is flexible and easy to customize. The algorithm was written in the open-source programming language Python, and is intended to form a code base for hydrogeological researchers, as well as a platform that can be further developed to suit investigators' individual needs. This presentation will encompass the conceptual background and computational methods of the HYVR algorithm, the derivation of input parameters from site characterization, and the results of groundwater flow and solute transport simulations in different depositional settings.

Transport calculations and accelerator experiments needed for radiation risk assessment in space.

PubMed

Sihver, Lembit

2008-01-01

The major uncertainties on space radiation risk estimates in humans are associated to the poor knowledge of the biological effects of low and high LET radiation, with a smaller contribution coming from the characterization of space radiation field and its primary interactions with the shielding and the human body. However, to decrease the uncertainties on the biological effects and increase the accuracy of the risk coefficients for charged particles radiation, the initial charged-particle spectra from the Galactic Cosmic Rays (GCRs) and the Solar Particle Events (SPEs), and the radiation transport through the shielding material of the space vehicle and the human body, must be better estimated Since it is practically impossible to measure all primary and secondary particles from all possible position-projectile-target-energy combinations needed for a correct risk assessment in space, accurate particle and heavy ion transport codes must be used. These codes are also needed when estimating the risk for radiation induced failures in advanced microelectronics, such as single-event effects, etc., and the efficiency of different shielding materials. It is therefore important that the models and transport codes will be carefully benchmarked and validated to make sure they fulfill preset accuracy criteria, e.g. to be able to predict particle fluence, dose and energy distributions within a certain accuracy. When validating the accuracy of the transport codes, both space and ground based accelerator experiments are needed The efficiency of passive shielding and protection of electronic devices should also be tested in accelerator experiments and compared to simulations using different transport codes. In this paper different multipurpose particle and heavy ion transport codes will be presented, different concepts of shielding and protection discussed, as well as future accelerator experiments needed for testing and validating codes and shielding materials.

Validating the performance of correlated fission multiplicity implementation in radiation transport codes with subcritical neutron multiplication benchmark experiments

DOE PAGES

Arthur, Jennifer; Bahran, Rian; Hutchinson, Jesson; ...

2018-06-14

Historically, radiation transport codes have uncorrelated fission emissions. In reality, the particles emitted by both spontaneous and induced fissions are correlated in time, energy, angle, and multiplicity. This work validates the performance of various current Monte Carlo codes that take into account the underlying correlated physics of fission neutrons, specifically neutron multiplicity distributions. The performance of 4 Monte Carlo codes - MCNP®6.2, MCNP®6.2/FREYA, MCNP®6.2/CGMF, and PoliMi - was assessed using neutron multiplicity benchmark experiments. In addition, MCNP®6.2 simulations were run using JEFF-3.2 and JENDL-4.0, rather than ENDF/B-VII.1, data for 239Pu and 240Pu. The sensitive benchmark parameters that in this workmore » represent the performance of each correlated fission multiplicity Monte Carlo code include the singles rate, the doubles rate, leakage multiplication, and Feynman histograms. Although it is difficult to determine which radiation transport code shows the best overall performance in simulating subcritical neutron multiplication inference benchmark measurements, it is clear that correlations exist between the underlying nuclear data utilized by (or generated by) the various codes, and the correlated neutron observables of interest. This could prove useful in nuclear data validation and evaluation applications, in which a particular moment of the neutron multiplicity distribution is of more interest than the other moments. It is also quite clear that, because transport is handled by MCNP®6.2 in 3 of the 4 codes, with the 4th code (PoliMi) being based on an older version of MCNP®, the differences in correlated neutron observables of interest are most likely due to the treatment of fission event generation in each of the different codes, as opposed to the radiation transport.« less

Validating the performance of correlated fission multiplicity implementation in radiation transport codes with subcritical neutron multiplication benchmark experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arthur, Jennifer; Bahran, Rian; Hutchinson, Jesson

Historically, radiation transport codes have uncorrelated fission emissions. In reality, the particles emitted by both spontaneous and induced fissions are correlated in time, energy, angle, and multiplicity. This work validates the performance of various current Monte Carlo codes that take into account the underlying correlated physics of fission neutrons, specifically neutron multiplicity distributions. The performance of 4 Monte Carlo codes - MCNP®6.2, MCNP®6.2/FREYA, MCNP®6.2/CGMF, and PoliMi - was assessed using neutron multiplicity benchmark experiments. In addition, MCNP®6.2 simulations were run using JEFF-3.2 and JENDL-4.0, rather than ENDF/B-VII.1, data for 239Pu and 240Pu. The sensitive benchmark parameters that in this workmore » represent the performance of each correlated fission multiplicity Monte Carlo code include the singles rate, the doubles rate, leakage multiplication, and Feynman histograms. Although it is difficult to determine which radiation transport code shows the best overall performance in simulating subcritical neutron multiplication inference benchmark measurements, it is clear that correlations exist between the underlying nuclear data utilized by (or generated by) the various codes, and the correlated neutron observables of interest. This could prove useful in nuclear data validation and evaluation applications, in which a particular moment of the neutron multiplicity distribution is of more interest than the other moments. It is also quite clear that, because transport is handled by MCNP®6.2 in 3 of the 4 codes, with the 4th code (PoliMi) being based on an older version of MCNP®, the differences in correlated neutron observables of interest are most likely due to the treatment of fission event generation in each of the different codes, as opposed to the radiation transport.« less

Interactive boundary-layer calculations of a transonic wing flow

NASA Technical Reports Server (NTRS)

Kaups, Kalle; Cebeci, Tuncer; Mehta, Unmeel

1989-01-01

Results obtained from iterative solutions of inviscid and boundary-layer equations are presented and compared with experimental values. The calculated results were obtained with an Euler code and a transonic potential code in order to furnish solutions for the inviscid flow; they were interacted with solutions of two-dimensional boundary-layer equations having a strip-theory approximation. Euler code results are found to be in better agreement with the experimental data than with the full potential code, especially in the presence of shock waves, (with the sole exception of the near-tip region).

Full 3D visualization tool-kit for Monte Carlo and deterministic transport codes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Frambati, S.; Frignani, M.

2012-07-01

We propose a package of tools capable of translating the geometric inputs and outputs of many Monte Carlo and deterministic radiation transport codes into open source file formats. These tools are aimed at bridging the gap between trusted, widely-used radiation analysis codes and very powerful, more recent and commonly used visualization software, thus supporting the design process and helping with shielding optimization. Three main lines of development were followed: mesh-based analysis of Monte Carlo codes, mesh-based analysis of deterministic codes and Monte Carlo surface meshing. The developed kit is considered a powerful and cost-effective tool in the computer-aided design formore » radiation transport code users of the nuclear world, and in particular in the fields of core design and radiation analysis. (authors)« less

Radiation Transport Tools for Space Applications: A Review

NASA Technical Reports Server (NTRS)

Jun, Insoo; Evans, Robin; Cherng, Michael; Kang, Shawn

2008-01-01

This slide presentation contains a brief discussion of nuclear transport codes widely used in the space radiation community for shielding and scientific analyses. Seven radiation transport codes that are addressed. The two general methods (i.e., Monte Carlo Method, and the Deterministic Method) are briefly reviewed.

Comparison of Transport Codes, HZETRN, HETC and FLUKA, Using 1977 GCR Solar Minimum Spectra

NASA Technical Reports Server (NTRS)

Heinbockel, John H.; Slaba, Tony C.; Tripathi, Ram K.; Blattnig, Steve R.; Norbury, John W.; Badavi, Francis F.; Townsend, Lawrence W.; Handler, Thomas; Gabriel, Tony A.; Pinsky, Lawrence S.;

Suppression of Baryon Diffusion and Transport in a Baryon Rich Strongly Coupled Quark-Gluon Plasma

NASA Astrophysics Data System (ADS)

Rougemont, Romulo; Noronha, Jorge; Noronha-Hostler, Jacquelyn

2015-11-01

Five dimensional black hole solutions that describe the QCD crossover transition seen in (2 +1 ) -flavor lattice QCD calculations at zero and nonzero baryon densities are used to obtain predictions for the baryon susceptibility, baryon conductivity, baryon diffusion constant, and thermal conductivity of the strongly coupled quark-gluon plasma in the range of temperatures 130 MeV ≤T ≤300 MeV and baryon chemical potentials 0 ≤μB≤400 MeV . Diffusive transport is predicted to be suppressed in this region of the QCD phase diagram, which is consistent with the existence of a critical end point at larger baryon densities. We also calculate the fourth-order baryon susceptibility at zero baryon chemical potential and find quantitative agreement with recent lattice results. The baryon transport coefficients computed in this Letter can be readily implemented in state-of-the-art hydrodynamic codes used to investigate the dense QGP currently produced at RHIC's low energy beam scan.

SCTP as scalable video coding transport

NASA Astrophysics Data System (ADS)

Ortiz, Jordi; Graciá, Eduardo Martínez; Skarmeta, Antonio F.

2013-12-01

This study presents an evaluation of the Stream Transmission Control Protocol (SCTP) for the transport of the scalable video codec (SVC), proposed by MPEG as an extension to H.264/AVC. Both technologies fit together properly. On the one hand, SVC permits to split easily the bitstream into substreams carrying different video layers, each with different importance for the reconstruction of the complete video sequence at the receiver end. On the other hand, SCTP includes features, such as the multi-streaming and multi-homing capabilities, that permit to transport robustly and efficiently the SVC layers. Several transmission strategies supported on baseline SCTP and its concurrent multipath transfer (CMT) extension are compared with the classical solutions based on the Transmission Control Protocol (TCP) and the Realtime Transmission Protocol (RTP). Using ns-2 simulations, it is shown that CMT-SCTP outperforms TCP and RTP in error-prone networking environments. The comparison is established according to several performance measurements, including delay, throughput, packet loss, and peak signal-to-noise ratio of the received video.

Monitoring Cosmic Radiation Risk: Comparisons between Observations and Predictive Codes for Naval Aviation

DTIC Science & Technology

2009-01-01

proton PARMA PHITS -based Analytical Radiation Model in the Atmosphere PCAIRE Predictive Code for Aircrew Radiation Exposure PHITS Particle and...radiation transport code utilized is called PARMA ( PHITS based Analytical Radiation Model in the Atmosphere) [36]. The particle fluxes calculated from the...same dose equivalent coefficient regulations from the ICRP-60 regulations. As a result, the transport codes utilized by EXPACS ( PHITS ) and CARI-6

Monitoring Cosmic Radiation Risk: Comparisons Between Observations and Predictive Codes for Naval Aviation

DTIC Science & Technology

2009-07-05

proton PARMA PHITS -based Analytical Radiation Model in the Atmosphere PCAIRE Predictive Code for Aircrew Radiation Exposure PHITS Particle and Heavy...transport code utilized is called PARMA ( PHITS based Analytical Radiation Model in the Atmosphere) [36]. The particle fluxes calculated from the input...dose equivalent coefficient regulations from the ICRP-60 regulations. As a result, the transport codes utilized by EXPACS ( PHITS ) and CARI-6 (PARMA

Physical basis of radiation protection in space travel

NASA Astrophysics Data System (ADS)

Durante, Marco; Cucinotta, Francis A.

2011-10-01

The health risks of space radiation are arguably the most serious challenge to space exploration, possibly preventing these missions due to safety concerns or increasing their costs to amounts beyond what would be acceptable. Radiation in space is substantially different from Earth: high-energy (E) and charge (Z) particles (HZE) provide the main contribution to the equivalent dose in deep space, whereas γ rays and low-energy α particles are major contributors on Earth. This difference causes a high uncertainty on the estimated radiation health risk (including cancer and noncancer effects), and makes protection extremely difficult. In fact, shielding is very difficult in space: the very high energy of the cosmic rays and the severe mass constraints in spaceflight represent a serious hindrance to effective shielding. Here the physical basis of space radiation protection is described, including the most recent achievements in space radiation transport codes and shielding approaches. Although deterministic and Monte Carlo transport codes can now describe well the interaction of cosmic rays with matter, more accurate double-differential nuclear cross sections are needed to improve the codes. Energy deposition in biological molecules and related effects should also be developed to achieve accurate risk models for long-term exploratory missions. Passive shielding can be effective for solar particle events; however, it is limited for galactic cosmic rays (GCR). Active shielding would have to overcome challenging technical hurdles to protect against GCR. Thus, improved risk assessment and genetic and biomedical approaches are a more likely solution to GCR radiation protection issues.

Moving from Batch to Field Using the RT3D Reactive Transport Modeling System

NASA Astrophysics Data System (ADS)

Clement, T. P.; Gautam, T. R.

2002-12-01

The public domain reactive transport code RT3D (Clement, 1997) is a general-purpose numerical code for solving coupled, multi-species reactive transport in saturated groundwater systems. The code uses MODFLOW to simulate flow and several modules of MT3DMS to simulate the advection and dispersion processes. RT3D employs the operator-split strategy which allows the code solve the coupled reactive transport problem in a modular fashion. The coupling between reaction and transport is defined through a separate module where the reaction equations are specified. The code supports a versatile user-defined reaction option that allows users to define their own reaction system through a Fortran-90 subroutine, known as the RT3D-reaction package. Further a utility code, known as BATCHRXN, allows the users to independently test and debug their reaction package. To analyze a new reaction system at a batch scale, users should first run BATCHRXN to test the ability of their reaction package to model the batch data. After testing, the reaction package can simply be ported to the RT3D environment to study the model response under 1-, 2-, or 3-dimensional transport conditions. This paper presents example problems that demonstrate the methods for moving from batch to field-scale simulations using BATCHRXN and RT3D codes. The first example describes a simple first-order reaction system for simulating the sequential degradation of Tetrachloroethene (PCE) and its daughter products. The second example uses a relatively complex reaction system for describing the multiple degradation pathways of Tetrachloroethane (PCA) and its daughter products. References 1) Clement, T.P, RT3D - A modular computer code for simulating reactive multi-species transport in 3-Dimensional groundwater aquifers, Battelle Pacific Northwest National Laboratory Research Report, PNNL-SA-28967, September, 1997. Available at: http://bioprocess.pnl.gov/rt3d.htm.

Low energy e-Ar momentum transfer cross-section

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brennan, M.J.

1992-12-01

Recent work has shown that solutions of the Boltzmann equation which use the so called {open_quotes}two-term{close_quotes} approximation provide an inadequate description of the transverse diffusion of electrons in argon gas at low values of E/N, contrary to earlier evidence. Previous determinations of the momentum transfer cross section for argon from the analysis of transport data have used two-term codes in good faith. Progress towards the determination of a new cross section in the energy range O - 4 eV, including an analysis of the energy dependence of the uncertainty in the derived cross section is reported.

Core follow calculation with the nTRACER numerical reactor and verification using power reactor measurement data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jung, Y. S.; Joo, H. G.; Yoon, J. I.

The nTRACER direct whole core transport code employing the planar MOC solution based 3-D calculation method, the subgroup method for resonance treatment, the Krylov matrix exponential method for depletion, and a subchannel thermal/hydraulic calculation solver was developed for practical high-fidelity simulation of power reactors. Its accuracy and performance is verified by comparing with the measurement data obtained for three pressurized water reactor cores. It is demonstrated that accurate and detailed multi-physic simulation of power reactors is practically realizable without any prior calculations or adjustments. (authors)

DOE Office of Scientific and Technical Information (OSTI.GOV)

D'Azevedo, Eduardo; Abbott, Stephen; Koskela, Tuomas

The XGC fusion gyrokinetic code combines state-of-the-art, portable computational and algorithmic technologies to enable complicated multiscale simulations of turbulence and transport dynamics in ITER edge plasma on the largest US open-science computer, the CRAY XK7 Titan, at its maximal heterogeneous capability, which have not been possible before due to a factor of over 10 shortage in the time-to-solution for less than 5 days of wall-clock time for one physics case. Frontier techniques such as nested OpenMP parallelism, adaptive parallel I/O, staging I/O and data reduction using dynamic and asynchronous applications interactions, dynamic repartitioning.

Parallel Gaussian elimination of a block tridiagonal matrix using multiple microcomputers

NASA Technical Reports Server (NTRS)

Blech, Richard A.

1989-01-01

The solution of a block tridiagonal matrix using parallel processing is demonstrated. The multiprocessor system on which results were obtained and the software environment used to program that system are described. Theoretical partitioning and resource allocation for the Gaussian elimination method used to solve the matrix are discussed. The results obtained from running 1, 2 and 3 processor versions of the block tridiagonal solver are presented. The PASCAL source code for these solvers is given in the appendix, and may be transportable to other shared memory parallel processors provided that the synchronization outlines are reproduced on the target system.

Illite Dissolution Rates and Equation (100 to 280 dec C)

DOE Data Explorer

Carroll, Susan

2014-10-17

The objective of this suite of experiments was to develop a useful kinetic dissolution expression for illite applicable over an expanded range of solution pH and temperature conditions representative of subsurface conditions in natural and/or engineered geothermal reservoirs. Using our new data, the resulting rate equation is dependent on both pH and temperature and utilizes two specific dissolution mechanisms (a “neutral” and a “basic” mechanism). The form of this rate equation should be easily incorporated into most existing reactive transport codes for to predict rock-water interactions in EGS shear zones.

HART-II: Prediction of Blade-Vortex Interaction Loading

DTIC Science & Technology

2003-09-01

14:30 (2) Improvement of DLR Rotor Aero- acoustic Code ( APSIM ) and its Valida- tion with Analytic Solution J. Yin, J. Delfs (5...of DLR Rotor Aero- acoustic Code ( APSIM ) and its Valida- tion with Analytic Solution J. Yin, J. Delfs (5) Aeroelastic Stability Analysis of...of DLR Rotor Aero- acoustic Code ( APSIM ) and its Valida- tion with Analytic Solution J. Yin, J. Delfs (5) Aeroelastic Stability Analysis of

Solution of nonlinear flow equations for complex aerodynamic shapes

NASA Technical Reports Server (NTRS)

Djomehri, M. Jahed

1992-01-01

Solution-adaptive CFD codes based on unstructured methods for 3-D complex geometries in subsonic to supersonic regimes were investigated, and the computed solution data were analyzed in conjunction with experimental data obtained from wind tunnel measurements in order to assess and validate the predictability of the code. Specifically, the FELISA code was assessed and improved in cooperation with NASA Langley and Imperial College, Swansea, U.K.

Improved cache performance in Monte Carlo transport calculations using energy banding

NASA Astrophysics Data System (ADS)

Siegel, A.; Smith, K.; Felker, K.; Romano, P.; Forget, B.; Beckman, P.

2014-04-01

We present an energy banding algorithm for Monte Carlo (MC) neutral particle transport simulations which depend on large cross section lookup tables. In MC codes, read-only cross section data tables are accessed frequently, exhibit poor locality, and are typically too much large to fit in fast memory. Thus, performance is often limited by long latencies to RAM, or by off-node communication latencies when the data footprint is very large and must be decomposed on a distributed memory machine. The proposed energy banding algorithm allows maximal temporal reuse of data in band sizes that can flexibly accommodate different architectural features. The energy banding algorithm is general and has a number of benefits compared to the traditional approach. In the present analysis we explore its potential to achieve improvements in time-to-solution on modern cache-based architectures.

User's guide to SEAWAT; a computer program for simulation of three-dimensional variable-density ground-water flow

USGS Publications Warehouse

Guo, Weixing; Langevin, C.D.

2002-01-01

This report documents a computer program (SEAWAT) that simulates variable-density, transient, ground-water flow in three dimensions. The source code for SEAWAT was developed by combining MODFLOW and MT3DMS into a single program that solves the coupled flow and solute-transport equations. The SEAWAT code follows a modular structure, and thus, new capabilities can be added with only minor modifications to the main program. SEAWAT reads and writes standard MODFLOW and MT3DMS data sets, although some extra input may be required for some SEAWAT simulations. This means that many of the existing pre- and post-processors can be used to create input data sets and analyze simulation results. Users familiar with MODFLOW and MT3DMS should have little difficulty applying SEAWAT to problems of variable-density ground-water flow.

An Evaluation of Parameters Influencing Jet Mixing Using the WIND Navier-stokes Code

NASA Technical Reports Server (NTRS)

Dembowski, Mary Ann; Georgiadis, Nicholas J.

2002-01-01

The WIND code, a Reynolds-averaged Navier-Stokes solver used for a variety of aerospace flow simulations, was investigated for a Mach 2 nozzle at a series of nozzle stagnation temperatures. Comparisons of WIND calculations are made to experimental measurements of axial velocity, Mach number, and stagnation temperature along the jet centerline. The primary objective was to investigate the capabilities of the two-equation turbulence models available in WIND, version 4.0, for the analysis of heated supersonic nozzle flows. The models examined were the Menter Shear Stress Transport (SST) model and the Chien k-epsilon model, with and without the compressibility correction due to Sarkar. It was observed that all of the turbulence models investigated produced solutions that did not agree well with the experimental measurements. The effects of freestream Mach number and turbulent Prandtl number specifications were also investigated.

Nonlocal electron transport: direct and Greens function solution and comparison of our model with the SNB model

NASA Astrophysics Data System (ADS)

Colombant, Denis; Manheimer, Wallace; Schmitt, Andrew J.

2013-10-01

At least two models, ours and SNB (Schurtz-Nicolai-Busquet), and two methods of solution, direct numerical solution (DS) and Greens function (GF) are being used in multi-dimensional radiation hydrodynamics codes. We present results of a laser target implosion using both methods of solution. Although our model and SNB differ in some physical content, direct comparisons have been non-existent up to now. However a paper by Marocchino et al. has recently presented the results of two nanosecond-time-scale test problems, showing that the preheat calculated by the two models are different by about three orders of magnitude. We have rerun these problems and we find much less difference between the two than they do. One can show analytically that the results should be quite similar and are about an order of magnitude less than the maximum, and two orders of magnitude more than the minimum preheating in. We have been able to trace the somewhat different results back to the different physical assumptions made in each model. Work supported by DoE-NNSA and ONR.

49 CFR 171.25 - Additional requirements for the use of the IMDG Code.

Code of Federal Regulations, 2010 CFR

2010-10-01

...) Packages containing primary lithium batteries and cells that are transported in accordance with Special Provision 188 of the IMDG Code must be marked “PRIMARY LITHIUM BATTERIES—FORBIDDEN FOR TRANSPORT ABOARD PASSENGER AIRCRAFT” or “LITHIUM METAL BATTERIES—FORBIDDEN FOR TRANSPORT ABOARD PASSENGER AIRCRAFT.” This...

77 FR 18716 - Transportation Security Administration Postal Zip Code Change; Technical Amendment

Federal Register 2010, 2011, 2012, 2013, 2014

2012-03-28

... organizational changes and it has no substantive effect on the public. DATES: Effective March 28, 2012. FOR... No. 1572-9] Transportation Security Administration Postal Zip Code Change; Technical Amendment AGENCY: Transportation Security Administration, DHS. ACTION: Final rule. SUMMARY: This rule is a technical change to...

Joint three-dimensional inversion of coupled groundwater flow and heat transfer based on automatic differentiation: sensitivity calculation, verification, and synthetic examples

NASA Astrophysics Data System (ADS)

Rath, V.; Wolf, A.; Bücker, H. M.

2006-10-01

Inverse methods are useful tools not only for deriving estimates of unknown parameters of the subsurface, but also for appraisal of the thus obtained models. While not being neither the most general nor the most efficient methods, Bayesian inversion based on the calculation of the Jacobian of a given forward model can be used to evaluate many quantities useful in this process. The calculation of the Jacobian, however, is computationally expensive and, if done by divided differences, prone to truncation error. Here, automatic differentiation can be used to produce derivative code by source transformation of an existing forward model. We describe this process for a coupled fluid flow and heat transport finite difference code, which is used in a Bayesian inverse scheme to estimate thermal and hydraulic properties and boundary conditions form measured hydraulic potentials and temperatures. The resulting derivative code was validated by comparison to simple analytical solutions and divided differences. Synthetic examples from different flow regimes demonstrate the use of the inverse scheme, and its behaviour in different configurations.

Workshop report - A validation study of Navier-Stokes codes for transverse injection into a Mach 2 flow

NASA Technical Reports Server (NTRS)

Eklund, Dean R.; Northam, G. B.; Mcdaniel, J. C.; Smith, Cliff

1992-01-01

A CFD (Computational Fluid Dynamics) competition was held at the Third Scramjet Combustor Modeling Workshop to assess the current state-of-the-art in CFD codes for the analysis of scramjet combustors. Solutions from six three-dimensional Navier-Stokes codes were compared for the case of staged injection of air behind a step into a Mach 2 flow. This case was investigated experimentally at the University of Virginia and extensive in-stream data was obtained. Code-to-code comparisons have been made with regard to both accuracy and efficiency. The turbulence models employed in the solutions are believed to be a major source of discrepancy between the six solutions.

Thermodynamic properties of potassium chloride aqueous solutions

NASA Astrophysics Data System (ADS)

Zezin, Denis; Driesner, Thomas

2017-04-01

Potassium chloride is a ubiquitous salt in natural fluids, being the second most abundant dissolved salt in many geological aqueous solutions after sodium chloride. It is a simple solute and strong electrolyte easily dissociating in water, however the thermodynamic properties of KCl aqueous solutions were never correlated with sufficient accuracy for a wide range of physicochemical conditions. In this communication we propose a set of parameters for a Pitzer-type model which allows calculation of all necessary thermodynamic properties of KCl solution, namely excess Gibbs free energy and derived activity coefficient, apparent molar enthalpy, heat capacity and volume, as well as osmotic coefficient and activity of water in solutions. The system KCl-water is one of the best studied aqueous systems containing electrolytes. Although extensive experimental data were collected for thermodynamic properties of these solutions over the years, the accurate volumetric data became available only recently, thus making possible a complete thermodynamic formulation including a pressure dependence of excess Gibbs free energy and derived properties of the KCl-water liquids. Our proposed model is intended for calculation of major thermodynamic properties of KCl aqueous solutions at temperatures ranging from freezing point of a solution to 623 K, pressures ranging from saturated water vapor up to 150 MPa, and concentrations up to the salt saturation. This parameterized model will be further implemented in geochemical software packages and can facilitate the calculation of aqueous equilibrium for reactive transport codes.

Thermodynamic and transport properties of gaseous tetrafluoromethane in chemical equilibrium

NASA Technical Reports Server (NTRS)

Hunt, J. L.; Boney, L. R.

1973-01-01

Equations and in computer code are presented for the thermodynamic and transport properties of gaseous, undissociated tetrafluoromethane (CF4) in chemical equilibrium. The computer code calculates the thermodynamic and transport properties of CF4 when given any two of five thermodynamic variables (entropy, temperature, volume, pressure, and enthalpy). Equilibrium thermodynamic and transport property data are tabulated and pressure-enthalpy diagrams are presented.

High-fidelity plasma codes for burn physics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cooley, James; Graziani, Frank; Marinak, Marty

Accurate predictions of equation of state (EOS), ionic and electronic transport properties are of critical importance for high-energy-density plasma science. Transport coefficients inform radiation-hydrodynamic codes and impact diagnostic interpretation, which in turn impacts our understanding of the development of instabilities, the overall energy balance of burning plasmas, and the efficacy of self-heating from charged-particle stopping. Important processes include thermal and electrical conduction, electron-ion coupling, inter-diffusion, ion viscosity, and charged particle stopping. However, uncertainties in these coefficients are not well established. Fundamental plasma science codes, also called high-fidelity plasma codes, are a relatively recent computational tool that augments both experimental datamore » and theoretical foundations of transport coefficients. This paper addresses the current status of HFPC codes and their future development, and the potential impact they play in improving the predictive capability of the multi-physics hydrodynamic codes used in HED design.« less

EAC: A program for the error analysis of STAGS results for plates

NASA Technical Reports Server (NTRS)

Sistla, Rajaram; Thurston, Gaylen A.; Bains, Nancy Jane C.

1989-01-01

A computer code is now available for estimating the error in results from the STAGS finite element code for a shell unit consisting of a rectangular orthotropic plate. This memorandum contains basic information about the computer code EAC (Error Analysis and Correction) and describes the connection between the input data for the STAGS shell units and the input data necessary to run the error analysis code. The STAGS code returns a set of nodal displacements and a discrete set of stress resultants; the EAC code returns a continuous solution for displacements and stress resultants. The continuous solution is defined by a set of generalized coordinates computed in EAC. The theory and the assumptions that determine the continuous solution are also outlined in this memorandum. An example of application of the code is presented and instructions on its usage on the Cyber and the VAX machines have been provided.

Verification of low-Mach number combustion codes using the method of manufactured solutions

NASA Astrophysics Data System (ADS)

Shunn, Lee; Ham, Frank; Knupp, Patrick; Moin, Parviz

2007-11-01

Many computational combustion models rely on tabulated constitutive relations to close the system of equations. As these reactive state-equations are typically multi-dimensional and highly non-linear, their implications on the convergence and accuracy of simulation codes are not well understood. In this presentation, the effects of tabulated state-relationships on the computational performance of low-Mach number combustion codes are explored using the method of manufactured solutions (MMS). Several MMS examples are developed and applied, progressing from simple one-dimensional configurations to problems involving higher dimensionality and solution-complexity. The manufactured solutions are implemented in two multi-physics hydrodynamics codes: CDP developed at Stanford University and FUEGO developed at Sandia National Laboratories. In addition to verifying the order-of-accuracy of the codes, the MMS problems help highlight certain robustness issues in existing variable-density flow-solvers. Strategies to overcome these issues are briefly discussed.

Development of a 1.5D plasma transport code for coupling to full orbit runaway electron simulations

NASA Astrophysics Data System (ADS)

Lore, J. D.; Del Castillo-Negrete, D.; Baylor, L.; Carbajal, L.

2017-10-01

A 1.5D (1D radial transport + 2D equilibrium geometry) plasma transport code is being developed to simulate runaway electron generation, mitigation, and avoidance by coupling to the full-orbit kinetic electron transport code KORC. The 1.5D code solves the time-dependent 1D flux surface averaged transport equations with sources for plasma density, pressure, and poloidal magnetic flux, along with the Grad-Shafranov equilibrium equation for the 2D flux surface geometry. Disruption mitigation is simulated by introducing an impurity neutral gas `pellet', with impurity densities and electron cooling calculated from ionization, recombination, and line emission rate coefficients. Rapid cooling of the electrons increases the resistivity, inducing an electric field which can be used as an input to KORC. The runaway electron current is then included in the parallel Ohm's law in the transport equations. The 1.5D solver will act as a driver for coupled simulations to model effects such as timescales for thermal quench, runaway electron generation, and pellet impurity mixtures for runaway avoidance. Current progress on the code and details of the numerical algorithms will be presented. Work supported by the US DOE under DE-AC05-00OR22725.

Benchmarking a Visual-Basic based multi-component one-dimensional reactive transport modeling tool

NASA Astrophysics Data System (ADS)

Torlapati, Jagadish; Prabhakar Clement, T.

2013-01-01

We present the details of a comprehensive numerical modeling tool, RT1D, which can be used for simulating biochemical and geochemical reactive transport problems. The code can be run within the standard Microsoft EXCEL Visual Basic platform, and it does not require any additional software tools. The code can be easily adapted by others for simulating different types of laboratory-scale reactive transport experiments. We illustrate the capabilities of the tool by solving five benchmark problems with varying levels of reaction complexity. These literature-derived benchmarks are used to highlight the versatility of the code for solving a variety of practical reactive transport problems. The benchmarks are described in detail to provide a comprehensive database, which can be used by model developers to test other numerical codes. The VBA code presented in the study is a practical tool that can be used by laboratory researchers for analyzing both batch and column datasets within an EXCEL platform.

Physical and Chemical Factors Influencing the Transport and Fate of Microorganisms in Soils with Preferential Flow

NASA Astrophysics Data System (ADS)

Wang, Y.; Bradford, S. A.; Simunek, J.

2011-12-01

Laboratory and numerical studies were conducted to investigate the influence of physical and chemical factors on the transport of E.coli O157:H7 and coliphage φX174 through preferential flow systems. Preferential flow systems were created in 13.2 cm diameter and 20 cm length columns by embedding sand lens of various grain size, length, and vertical position into finer textured matrix sand. Tracer solutions containing bromide and microbes were prepared at different ionic strength (IS) and sprayed onto the surface of the columns at desired steady rates using a rain simulator to achieve saturated or unsaturated conditions. Effluents were collected at the column bottom continuously and analyzed for concentrations of bromide, φX174, and E.coli. Complementary numerical simulations were conducted using the HYDRUS 2D code over a wider range of physical and chemical conditions, and to analyze bromide and microbe transport in the columns. Results indicated that preferential transport of the microbes was dependent on the hydraulic contrasts between the matrix and lens, the length of the lens, the size of microorganism, and the water saturation. The IS also influenced the preferential transport of microbes. In particular, increasing retention with IS decreased the overall microbe transport but increased the relative importance of preferential flow.

Multiple component codes based generalized LDPC codes for high-speed optical transport.

PubMed

Djordjevic, Ivan B; Wang, Ting

2014-07-14

A class of generalized low-density parity-check (GLDPC) codes suitable for optical communications is proposed, which consists of multiple local codes. It is shown that Hamming, BCH, and Reed-Muller codes can be used as local codes, and that the maximum a posteriori probability (MAP) decoding of these local codes by Ashikhmin-Lytsin algorithm is feasible in terms of complexity and performance. We demonstrate that record coding gains can be obtained from properly designed GLDPC codes, derived from multiple component codes. We then show that several recently proposed classes of LDPC codes such as convolutional and spatially-coupled codes can be described using the concept of GLDPC coding, which indicates that the GLDPC coding can be used as a unified platform for advanced FEC enabling ultra-high speed optical transport. The proposed class of GLDPC codes is also suitable for code-rate adaption, to adjust the error correction strength depending on the optical channel conditions.

Analytical and experimental analysis of solute transport in heterogeneous porous media.

PubMed

Wu, Lei; Gao, Bin; Tian, Yuan; Muñoz-Carpena, Rafael

2014-01-01

Knowledge of solute transport in heterogeneous porous media is crucial to monitor contaminant fate and transport in soil and groundwater systems. In this study, we present new findings from experimental and mathematical analysis to improve current understanding of solute transport in structured heterogeneous porous media. Three saturated columns packed with different sand combinations were used to examine the breakthrough behavior of bromide, a conservative tracer. Experimental results showed that bromide had different breakthrough responses in the three types of sand combinations, indicating that heterogeneity in hydraulic conductivity has a significant effect on the solute transport in structured heterogeneous porous media. Simulations from analytical solutions of a two-domain solute transport model matched experimental breakthrough data well for all the experimental conditions tested. Experimental and model results show that under saturated flow conditions, advection dominates solute transport in both fast-flow and slow-flow domains. The sand with larger hydraulic conductivity provided a preferential flow path for solute transport (fast-flow domain) that dominates the mass transfer in the heterogeneous porous media. Importantly, the transport in the slow-flow domain and mass exchange between the domains also contribute to the flow and solute transport processes and thus must be considered when investigating contaminant transport in heterogeneous porous media.

Osmotic Transport across Cell Membranes in Nondilute Solutions: A New Nondilute Solute Transport Equation

PubMed Central

Elmoazzen, Heidi Y.; Elliott, Janet A.W.; McGann, Locksley E.

2009-01-01

The fundamental physical mechanisms of water and solute transport across cell membranes have long been studied in the field of cell membrane biophysics. Cryobiology is a discipline that requires an understanding of osmotic transport across cell membranes under nondilute solution conditions, yet many of the currently-used transport formalisms make limiting dilute solution assumptions. While dilute solution assumptions are often appropriate under physiological conditions, they are rarely appropriate in cryobiology. The first objective of this article is to review commonly-used transport equations, and the explicit and implicit assumptions made when using the two-parameter and the Kedem-Katchalsky formalisms. The second objective of this article is to describe a set of transport equations that do not make the previous dilute solution or near-equilibrium assumptions. Specifically, a new nondilute solute transport equation is presented. Such nondilute equations are applicable to many fields including cryobiology where dilute solution conditions are not often met. An illustrative example is provided. Utilizing suitable transport equations that fit for two permeability coefficients, fits were as good as with the previous three-parameter model (which includes the reflection coefficient, σ). There is less unexpected concentration dependence with the nondilute transport equations, suggesting that some of the unexpected concentration dependence of permeability is due to the use of inappropriate transport equations. PMID:19348741

libmpdata++ 1.0: a library of parallel MPDATA solvers for systems of generalised transport equations

NASA Astrophysics Data System (ADS)

Jaruga, A.; Arabas, S.; Jarecka, D.; Pawlowska, H.; Smolarkiewicz, P. K.; Waruszewski, M.

2015-04-01

This paper accompanies the first release of libmpdata++, a C++ library implementing the multi-dimensional positive-definite advection transport algorithm (MPDATA) on regular structured grid. The library offers basic numerical solvers for systems of generalised transport equations. The solvers are forward-in-time, conservative and non-linearly stable. The libmpdata++ library covers the basic second-order-accurate formulation of MPDATA, its third-order variant, the infinite-gauge option for variable-sign fields and a flux-corrected transport extension to guarantee non-oscillatory solutions. The library is equipped with a non-symmetric variational elliptic solver for implicit evaluation of pressure gradient terms. All solvers offer parallelisation through domain decomposition using shared-memory parallelisation. The paper describes the library programming interface, and serves as a user guide. Supported options are illustrated with benchmarks discussed in the MPDATA literature. Benchmark descriptions include code snippets as well as quantitative representations of simulation results. Examples of applications include homogeneous transport in one, two and three dimensions in Cartesian and spherical domains; a shallow-water system compared with analytical solution (originally derived for a 2-D case); and a buoyant convection problem in an incompressible Boussinesq fluid with interfacial instability. All the examples are implemented out of the library tree. Regardless of the differences in the problem dimensionality, right-hand-side terms, boundary conditions and parallelisation approach, all the examples use the same unmodified library, which is a key goal of libmpdata++ design. The design, based on the principle of separation of concerns, prioritises the user and developer productivity. The libmpdata++ library is implemented in C++, making use of the Blitz++ multi-dimensional array containers, and is released as free/libre and open-source software.

libmpdata++ 0.1: a library of parallel MPDATA solvers for systems of generalised transport equations

NASA Astrophysics Data System (ADS)

Jaruga, A.; Arabas, S.; Jarecka, D.; Pawlowska, H.; Smolarkiewicz, P. K.; Waruszewski, M.

2014-11-01

This paper accompanies first release of libmpdata++, a C++ library implementing the Multidimensional Positive-Definite Advection Transport Algorithm (MPDATA). The library offers basic numerical solvers for systems of generalised transport equations. The solvers are forward-in-time, conservative and non-linearly stable. The libmpdata++ library covers the basic second-order-accurate formulation of MPDATA, its third-order variant, the infinite-gauge option for variable-sign fields and a flux-corrected transport extension to guarantee non-oscillatory solutions. The library is equipped with a non-symmetric variational elliptic solver for implicit evaluation of pressure gradient terms. All solvers offer parallelisation through domain decomposition using shared-memory parallelisation. The paper describes the library programming interface, and serves as a user guide. Supported options are illustrated with benchmarks discussed in the MPDATA literature. Benchmark descriptions include code snippets as well as quantitative representations of simulation results. Examples of applications include: homogeneous transport in one, two and three dimensions in Cartesian and spherical domains; shallow-water system compared with analytical solution (originally derived for a 2-D case); and a buoyant convection problem in an incompressible Boussinesq fluid with interfacial instability. All the examples are implemented out of the library tree. Regardless of the differences in the problem dimensionality, right-hand-side terms, boundary conditions and parallelisation approach, all the examples use the same unmodified library, which is a key goal of libmpdata++ design. The design, based on the principle of separation of concerns, prioritises the user and developer productivity. The libmpdata++ library is implemented in C++, making use of the Blitz++ multi-dimensional array containers, and is released as free/libre and open-source software.

Development of a new version of the Vehicle Protection Factor Code (VPF3)

NASA Astrophysics Data System (ADS)

Jamieson, Terrance J.

1990-10-01

The Vehicle Protection Factor (VPF) Code is an engineering tool for estimating radiation protection afforded by armoured vehicles and other structures exposed to neutron and gamma ray radiation from fission, thermonuclear, and fusion sources. A number of suggestions for modifications have been offered by users of early versions of the code. These include: implementing some of the more advanced features of the air transport rating code, ATR5, used to perform the air over ground radiation transport analyses; allowing the ability to study specific vehicle orientations within the free field; implementing an adjoint transport scheme to reduce the number of transport runs required; investigating the possibility of accelerating the transport scheme; and upgrading the computer automated design (CAD) package used by VPF. The generation of radiation free field fluences for infinite air geometries as required for aircraft analysis can be accomplished by using ATR with the air over ground correction factors disabled. Analysis of the effects of fallout bearing debris clouds on aircraft will require additional modelling of VPF.

STAR-CCM+ Verification and Validation Plan

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pointer, William David

2016-09-30

The commercial Computational Fluid Dynamics (CFD) code STAR-CCM+ provides general purpose finite volume method solutions for fluid dynamics and energy transport. This document defines plans for verification and validation (V&V) of the base code and models implemented within the code by the Consortium for Advanced Simulation of Light water reactors (CASL). The software quality assurance activities described herein are port of the overall software life cycle defined in the CASL Software Quality Assurance (SQA) Plan [Sieger, 2015]. STAR-CCM+ serves as the principal foundation for development of an advanced predictive multi-phase boiling simulation capability within CASL. The CASL Thermal Hydraulics Methodsmore » (THM) team develops advanced closure models required to describe the subgrid-resolution behavior of secondary fluids or fluid phases in multiphase boiling flows within the Eulerian-Eulerian framework of the code. These include wall heat partitioning models that describe the formation of vapor on the surface and the forces the define bubble/droplet dynamic motion. The CASL models are implemented as user coding or field functions within the general framework of the code. This report defines procedures and requirements for V&V of the multi-phase CFD capability developed by CASL THM. Results of V&V evaluations will be documented in a separate STAR-CCM+ V&V assessment report. This report is expected to be a living document and will be updated as additional validation cases are identified and adopted as part of the CASL THM V&V suite.« less

SPEEDUP{trademark} ion exchange column model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hang, T.

2000-03-06

A transient model to describe the process of loading a solute onto the granular fixed bed in an ion exchange (IX) column has been developed using the SpeedUp{trademark} software package. SpeedUp offers the advantage of smooth integration into other existing SpeedUp flowsheet models. The mathematical algorithm of a porous particle diffusion model was adopted to account for convection, axial dispersion, film mass transfer, and pore diffusion. The method of orthogonal collocation on finite elements was employed to solve the governing transport equations. The model allows the use of a non-linear Langmuir isotherm based on an effective binary ionic exchange process.more » The SpeedUp column model was tested by comparing to the analytical solutions of three transport problems from the ion exchange literature. In addition, a sample calculation of a train of three crystalline silicotitanate (CST) IX columns in series was made using both the SpeedUp model and Purdue University's VERSE-LC code. All test cases showed excellent agreement between the SpeedUp model results and the test data. The model can be readily used for SuperLig{trademark} ion exchange resins, once the experimental data are complete.« less

A Monte Carlo Code for Relativistic Radiation Transport Around Kerr Black Holes

NASA Technical Reports Server (NTRS)

Schnittman, Jeremy David; Krolik, Julian H.

2013-01-01

We present a new code for radiation transport around Kerr black holes, including arbitrary emission and absorption mechanisms, as well as electron scattering and polarization. The code is particularly useful for analyzing accretion flows made up of optically thick disks and optically thin coronae. We give a detailed description of the methods employed in the code and also present results from a number of numerical tests to assess its accuracy and convergence.

Benchmarking of Neutron Production of Heavy-Ion Transport Codes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Remec, Igor; Ronningen, Reginald M.; Heilbronn, Lawrence

Accurate prediction of radiation fields generated by heavy ion interactions is important in medical applications, space missions, and in design and operation of rare isotope research facilities. In recent years, several well-established computer codes in widespread use for particle and radiation transport calculations have been equipped with the capability to simulate heavy ion transport and interactions. To assess and validate these capabilities, we performed simulations of a series of benchmark-quality heavy ion experiments with the computer codes FLUKA, MARS15, MCNPX, and PHITS. We focus on the comparisons of secondary neutron production. Results are encouraging; however, further improvements in models andmore » codes and additional benchmarking are required.« less

Benchmarking of Heavy Ion Transport Codes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Remec, Igor; Ronningen, Reginald M.; Heilbronn, Lawrence

Accurate prediction of radiation fields generated by heavy ion interactions is important in medical applications, space missions, and in designing and operation of rare isotope research facilities. In recent years, several well-established computer codes in widespread use for particle and radiation transport calculations have been equipped with the capability to simulate heavy ion transport and interactions. To assess and validate these capabilities, we performed simulations of a series of benchmark-quality heavy ion experiments with the computer codes FLUKA, MARS15, MCNPX, and PHITS. We focus on the comparisons of secondary neutron production. Results are encouraging; however, further improvements in models andmore » codes and additional benchmarking are required.« less

Treating voxel geometries in radiation protection dosimetry with a patched version of the Monte Carlo codes MCNP and MCNPX.

PubMed

Burn, K W; Daffara, C; Gualdrini, G; Pierantoni, M; Ferrari, P

2007-01-01

The question of Monte Carlo simulation of radiation transport in voxel geometries is addressed. Patched versions of the MCNP and MCNPX codes are developed aimed at transporting radiation both in the standard geometry mode and in the voxel geometry treatment. The patched code reads an unformatted FORTRAN file derived from DICOM format data and uses special subroutines to handle voxel-to-voxel radiation transport. The various phases of the development of the methodology are discussed together with the new input options. Examples are given of employment of the code in internal and external dosimetry and comparisons with results from other groups are reported.

Development of Parallel Computing Framework to Enhance Radiation Transport Code Capabilities for Rare Isotope Beam Facility Design

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kostin, Mikhail; Mokhov, Nikolai; Niita, Koji

A parallel computing framework has been developed to use with general-purpose radiation transport codes. The framework was implemented as a C++ module that uses MPI for message passing. It is intended to be used with older radiation transport codes implemented in Fortran77, Fortran 90 or C. The module is significantly independent of radiation transport codes it can be used with, and is connected to the codes by means of a number of interface functions. The framework was developed and tested in conjunction with the MARS15 code. It is possible to use it with other codes such as PHITS, FLUKA andmore » MCNP after certain adjustments. Besides the parallel computing functionality, the framework offers a checkpoint facility that allows restarting calculations with a saved checkpoint file. The checkpoint facility can be used in single process calculations as well as in the parallel regime. The framework corrects some of the known problems with the scheduling and load balancing found in the original implementations of the parallel computing functionality in MARS15 and PHITS. The framework can be used efficiently on homogeneous systems and networks of workstations, where the interference from the other users is possible.« less

A new approach to three-dimensional neutron transport solution based on the method of characteristics and linear axial approximation

NASA Astrophysics Data System (ADS)

Zheng, Youqi; Choi, Sooyoung; Lee, Deokjung

2017-12-01

A new approach based on the method of characteristics (MOC) is proposed to solve the neutron transport equation. A new three-dimensional (3D) spatial discretization is applied to avoid the instability issue of the transverse leakage iteration of the traditional 2D/1D approach. In this new approach, the axial and radial variables are discretized in two different ways: the linear expansion is performed in the axial direction, then, the 3D solution of the angular flux is transformed to be the planar solution of 2D angular expansion moments, which are solved by the planar MOC sweeping. Based on the boundary and interface continuity conditions, the 2D expansion moment solution is equivalently transformed to be the solution of the axially averaged angular flux. Using the piecewise averaged angular flux at the top and bottom surfaces of 3D meshes, the planes are coupled to give the 3D angular flux distribution. The 3D CMFD linear system is established from the surface net current of every 3D pin-mesh to accelerate the convergence of power iteration. The STREAM code is extended to be capable of handling 3D problems based on the new approach. Several benchmarks are tested to verify its feasibility and accuracy, including the 3D homogeneous benchmarks and heterogeneous benchmarks. The computational sensitivity is discussed. The results show good accuracy in all tests. With the CMFD acceleration, the convergence is stable. In addition, a pin-cell problem with void gap is calculated. This shows the advantage compared to the traditional 2D/1D MOC methods.

Development of the MCNPX depletion capability: A Monte Carlo linked depletion method that automates the coupling between MCNPX and CINDER90 for high fidelity burnup calculations

NASA Astrophysics Data System (ADS)

Fensin, Michael Lorne

Monte Carlo-linked depletion methods have gained recent interest due to the ability to more accurately model complex 3-dimesional geometries and better track the evolution of temporal nuclide inventory by simulating the actual physical process utilizing continuous energy coefficients. The integration of CINDER90 into the MCNPX Monte Carlo radiation transport code provides a high-fidelity completely self-contained Monte-Carlo-linked depletion capability in a well established, widely accepted Monte Carlo radiation transport code that is compatible with most nuclear criticality (KCODE) particle tracking features in MCNPX. MCNPX depletion tracks all necessary reaction rates and follows as many isotopes as cross section data permits in order to achieve a highly accurate temporal nuclide inventory solution. This work chronicles relevant nuclear history, surveys current methodologies of depletion theory, details the methodology in applied MCNPX and provides benchmark results for three independent OECD/NEA benchmarks. Relevant nuclear history, from the Oklo reactor two billion years ago to the current major United States nuclear fuel cycle development programs, is addressed in order to supply the motivation for the development of this technology. A survey of current reaction rate and temporal nuclide inventory techniques is then provided to offer justification for the depletion strategy applied within MCNPX. The MCNPX depletion strategy is then dissected and each code feature is detailed chronicling the methodology development from the original linking of MONTEBURNS and MCNP to the most recent public release of the integrated capability (MCNPX 2.6.F). Calculation results of the OECD/NEA Phase IB benchmark, H. B. Robinson benchmark and OECD/NEA Phase IVB are then provided. The acceptable results of these calculations offer sufficient confidence in the predictive capability of the MCNPX depletion method. This capability sets up a significant foundation, in a well established and supported radiation transport code, for further development of a Monte Carlo-linked depletion methodology which is essential to the future development of advanced reactor technologies that exceed the limitations of current deterministic based methods.

Modeling chemical gradients in sediments under losing and gaining flow conditions: The GRADIENT code

NASA Astrophysics Data System (ADS)

Boano, Fulvio; De Falco, Natalie; Arnon, Shai

2018-02-01

Interfaces between sediments and water bodies often represent biochemical hotspots for nutrient reactions and are characterized by steep concentration gradients of different reactive solutes. Vertical profiles of these concentrations are routinely collected to obtain information on nutrient dynamics, and simple codes have been developed to analyze these profiles and determine the magnitude and distribution of reaction rates within sediments. However, existing publicly available codes do not consider the potential contribution of water flow in the sediments to nutrient transport, and their applications to field sites with significant water-borne nutrient fluxes may lead to large errors in the estimated reaction rates. To fill this gap, the present work presents GRADIENT, a novel algorithm to evaluate distributions of reaction rates from observed concentration profiles. GRADIENT is a Matlab code that extends a previously published framework to include the role of nutrient advection, and provides robust estimates of reaction rates in sediments with significant water flow. This work discusses the theoretical basis of the method and shows its performance by comparing the results to a series of synthetic data and to laboratory experiments. The results clearly show that in systems with losing or gaining fluxes, the inclusion of such fluxes is critical for estimating local and overall reaction rates in sediments.

METHES: A Monte Carlo collision code for the simulation of electron transport in low temperature plasmas

NASA Astrophysics Data System (ADS)

Rabie, M.; Franck, C. M.

2016-06-01

We present a freely available MATLAB code for the simulation of electron transport in arbitrary gas mixtures in the presence of uniform electric fields. For steady-state electron transport, the program provides the transport coefficients, reaction rates and the electron energy distribution function. The program uses established Monte Carlo techniques and is compatible with the electron scattering cross section files from the open-access Plasma Data Exchange Project LXCat. The code is written in object-oriented design, allowing the tracing and visualization of the spatiotemporal evolution of electron swarms and the temporal development of the mean energy and the electron number due to attachment and/or ionization processes. We benchmark our code with well-known model gases as well as the real gases argon, N2, O2, CF4, SF6 and mixtures of N2 and O2.

STELLTRANS: A Transport Analysis Suite for Stellarators

NASA Astrophysics Data System (ADS)

Mittelstaedt, Joseph; Lazerson, Samuel; Pablant, Novimir; Weir, Gavin; W7-X Team

2016-10-01

The stellarator transport code STELLTRANS allows us to better analyze the power balance in W7-X. Although profiles of temperature and density are measured experimentally, geometrical factors are needed in conjunction with these measurements to properly analyze heat flux densities in stellarators. The STELLTRANS code interfaces with VMEC to find an equilibrium flux surface configuration and with TRAVIS to determine the RF heating and current drive in the plasma. Stationary transport equations are then considered which are solved using a boundary value differential equation solver. The equations and quantities considered are averaged over flux surfaces to reduce the system to an essentially one dimensional problem. We have applied this code to data from W-7X and were able to calculate the heat flux coefficients. We will also present extensions of the code to a predictive capacity which would utilize DKES to find neoclassical transport coefficients to update the temperature and density profiles.

PCC Framework for Program-Generators

NASA Technical Reports Server (NTRS)

Kong, Soonho; Choi, Wontae; Yi, Kwangkeun

2009-01-01

In this paper, we propose a proof-carrying code framework for program-generators. The enabling technique is abstract parsing, a static string analysis technique, which is used as a component for generating and validating certificates. Our framework provides an efficient solution for certifying program-generators whose safety properties are expressed in terms of the grammar representing the generated program. The fixed-point solution of the analysis is generated and attached with the program-generator on the code producer side. The consumer receives the code with a fixed-point solution and validates that the received fixed point is indeed a fixed point of the received code. This validation can be done in a single pass.

PHT3D-UZF: A reactive transport model for variably-saturated porous media

USGS Publications Warehouse

Wu, Ming Zhi; Post, Vincent E. A.; Salmon, S. Ursula; Morway, Eric D.; Prommer, H.

2016-01-01

A modified version of the MODFLOW/MT3DMS-based reactive transport model PHT3D was developed to extend current reactive transport capabilities to the variably-saturated component of the subsurface system and incorporate diffusive reactive transport of gaseous species. Referred to as PHT3D-UZF, this code incorporates flux terms calculated by MODFLOW's unsaturated-zone flow (UZF1) package. A volume-averaged approach similar to the method used in UZF-MT3DMS was adopted. The PHREEQC-based computation of chemical processes within PHT3D-UZF in combination with the analytical solution method of UZF1 allows for comprehensive reactive transport investigations (i.e., biogeochemical transformations) that jointly involve saturated and unsaturated zone processes. Intended for regional-scale applications, UZF1 simulates downward-only flux within the unsaturated zone. The model was tested by comparing simulation results with those of existing numerical models. The comparison was performed for several benchmark problems that cover a range of important hydrological and reactive transport processes. A 2D simulation scenario was defined to illustrate the geochemical evolution following dewatering in a sandy acid sulfate soil environment. Other potential applications include the simulation of biogeochemical processes in variably-saturated systems that track the transport and fate of agricultural pollutants, nutrients, natural and xenobiotic organic compounds and micropollutants such as pharmaceuticals, as well as the evolution of isotope patterns.

Tokamak plasma high field side response to an n = 3 magnetic perturbation: a comparison of 3D equilibrium solutions from seven different codes

NASA Astrophysics Data System (ADS)

Reiman, A.; Ferraro, N. M.; Turnbull, A.; Park, J. K.; Cerfon, A.; Evans, T. E.; Lanctot, M. J.; Lazarus, E. A.; Liu, Y.; McFadden, G.; Monticello, D.; Suzuki, Y.

2015-06-01

In comparing equilibrium solutions for a DIII-D shot that is amenable to analysis by both stellarator and tokamak three-dimensional (3D) equilibrium codes, a significant disagreement has been seen between solutions of the VMEC stellarator equilibrium code and solutions of tokamak perturbative 3D equilibrium codes. The source of that disagreement has been investigated, and that investigation has led to new insights into the domain of validity of the different equilibrium calculations, and to a finding that the manner in which localized screening currents at low order rational surfaces are handled can affect global properties of the equilibrium solution. The perturbative treatment has been found to break down at surprisingly small perturbation amplitudes due to overlap of the calculated perturbed flux surfaces, and that treatment is not valid in the pedestal region of the DIII-D shot studied. The perturbative treatment is valid, however, further into the interior of the plasma, and flux surface overlap does not account for the disagreement investigated here. Calculated equilibrium solutions for simple model cases and comparison of the 3D equilibrium solutions with those of other codes indicate that the disagreement arises from a difference in handling of localized currents at low order rational surfaces, with such currents being absent in VMEC and present in the perturbative codes. The significant differences in the global equilibrium solutions associated with the presence or absence of very localized screening currents at rational surfaces suggests that it may be possible to extract information about localized currents from appropriate measurements of global equilibrium plasma properties. That would require improved diagnostic capability on the high field side of the tokamak plasma, a region difficult to access with diagnostics.

Benchmark Problems of the Geothermal Technologies Office Code Comparison Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

White, Mark D.; Podgorney, Robert; Kelkar, Sharad M.

A diverse suite of numerical simulators is currently being applied to predict or understand the performance of enhanced geothermal systems (EGS). To build confidence and identify critical development needs for these analytical tools, the United States Department of Energy, Geothermal Technologies Office has sponsored a Code Comparison Study (GTO-CCS), with participants from universities, industry, and national laboratories. A principal objective for the study was to create a community forum for improvement and verification of numerical simulators for EGS modeling. Teams participating in the study were those representing U.S. national laboratories, universities, and industries, and each team brought unique numerical simulationmore » capabilities to bear on the problems. Two classes of problems were developed during the study, benchmark problems and challenge problems. The benchmark problems were structured to test the ability of the collection of numerical simulators to solve various combinations of coupled thermal, hydrologic, geomechanical, and geochemical processes. This class of problems was strictly defined in terms of properties, driving forces, initial conditions, and boundary conditions. Study participants submitted solutions to problems for which their simulation tools were deemed capable or nearly capable. Some participating codes were originally developed for EGS applications whereas some others were designed for different applications but can simulate processes similar to those in EGS. Solution submissions from both were encouraged. In some cases, participants made small incremental changes to their numerical simulation codes to address specific elements of the problem, and in other cases participants submitted solutions with existing simulation tools, acknowledging the limitations of the code. The challenge problems were based on the enhanced geothermal systems research conducted at Fenton Hill, near Los Alamos, New Mexico, between 1974 and 1995. The problems involved two phases of research, stimulation, development, and circulation in two separate reservoirs. The challenge problems had specific questions to be answered via numerical simulation in three topical areas: 1) reservoir creation/stimulation, 2) reactive and passive transport, and 3) thermal recovery. Whereas the benchmark class of problems were designed to test capabilities for modeling coupled processes under strictly specified conditions, the stated objective for the challenge class of problems was to demonstrate what new understanding of the Fenton Hill experiments could be realized via the application of modern numerical simulation tools by recognized expert practitioners.« less

Efficient Coupling of Fluid-Plasma and Monte-Carlo-Neutrals Models for Edge Plasma Transport

NASA Astrophysics Data System (ADS)

Dimits, A. M.; Cohen, B. I.; Friedman, A.; Joseph, I.; Lodestro, L. L.; Rensink, M. E.; Rognlien, T. D.; Sjogreen, B.; Stotler, D. P.; Umansky, M. V.

2017-10-01

UEDGE has been valuable for modeling transport in the tokamak edge and scrape-off layer due in part to its efficient fully implicit solution of coupled fluid neutrals and plasma models. We are developing an implicit coupling of the kinetic Monte-Carlo (MC) code DEGAS-2, as the neutrals model component, to the UEDGE plasma component, based on an extension of the Jacobian-free Newton-Krylov (JFNK) method to MC residuals. The coupling components build on the methods and coding already present in UEDGE. For the linear Krylov iterations, a procedure has been developed to ``extract'' a good preconditioner from that of UEDGE. This preconditioner may also be used to greatly accelerate the convergence rate of a relaxed fixed-point iteration, which may provide a useful ``intermediate'' algorithm. The JFNK method also requires calculation of Jacobian-vector products, for which any finite-difference procedure is inaccurate when a MC component is present. A semi-analytical procedure that retains the standard MC accuracy and fully kinetic neutrals physics is therefore being developed. Prepared for US DOE by LLNL under Contract DE-AC52-07NA27344 and LDRD project 15-ERD-059, by PPPL under Contract DE-AC02-09CH11466, and supported in part by the U.S. DOE, OFES.

Subplane collision probabilities method applied to control rod cusping in 2D/1D

DOE Office of Scientific and Technical Information (OSTI.GOV)

Graham, Aaron M.; Collins, Benjamin S.; Stimpson, Shane G.

The MPACT code is being jointly developed by the University of Michigan and Oak Ridge National Laboratory. It uses the 2D/1D method to solve neutron transport problems for reactors. The 2D/1D method decomposes the problem into a stack of 2D planes, and uses a high fidelity transport method to resolve all heterogeneity in each plane. These planes are then coupled axially using a lower order solver. Using this scheme, 3D solutions to the transport equation can be obtained at a much lower cost.One assumption made by the 2D/1D method is that the materials are axially homogeneous for each 2D plane.more » Violation of this assumption requires homogenization, which can significantly reduce the accuracy of the calculation. This paper presents two new subgrid methods to address this issue. The first method is polynomial decusping, a simple correction used to address control rods partially inserted into a 2D plane. The second is the subplane collision probabilities method, which is a more accurate, more robust subgrid method that can be applied to other axial heterogeneities.Each method was applied to a variety of problems. Results were compared to fine mesh solutions which had no axial heterogeneity and to Monte Carlo reference solutions generated using KENO-VI. It was shown that the polynomial decusping method was effective in many cases, but it had some limitations, with 3D pin power errors as high as 25% compared to KENO-VI. In conclusion, the subplane collision probabilities method performed much better, lowering the maximum pin power error to less than 5% in every calculation.« less

Subplane collision probabilities method applied to control rod cusping in 2D/1D

DOE PAGES

Graham, Aaron M.; Collins, Benjamin S.; Stimpson, Shane G.; ...

2018-04-06

The MPACT code is being jointly developed by the University of Michigan and Oak Ridge National Laboratory. It uses the 2D/1D method to solve neutron transport problems for reactors. The 2D/1D method decomposes the problem into a stack of 2D planes, and uses a high fidelity transport method to resolve all heterogeneity in each plane. These planes are then coupled axially using a lower order solver. Using this scheme, 3D solutions to the transport equation can be obtained at a much lower cost.One assumption made by the 2D/1D method is that the materials are axially homogeneous for each 2D plane.more » Violation of this assumption requires homogenization, which can significantly reduce the accuracy of the calculation. This paper presents two new subgrid methods to address this issue. The first method is polynomial decusping, a simple correction used to address control rods partially inserted into a 2D plane. The second is the subplane collision probabilities method, which is a more accurate, more robust subgrid method that can be applied to other axial heterogeneities.Each method was applied to a variety of problems. Results were compared to fine mesh solutions which had no axial heterogeneity and to Monte Carlo reference solutions generated using KENO-VI. It was shown that the polynomial decusping method was effective in many cases, but it had some limitations, with 3D pin power errors as high as 25% compared to KENO-VI. In conclusion, the subplane collision probabilities method performed much better, lowering the maximum pin power error to less than 5% in every calculation.« less

Toward efficiency in heterogeneous multispecies reactive transport modeling: A particle-tracking solution for first-order network reactions

NASA Astrophysics Data System (ADS)

Henri, Christopher; Fernàndez-Garcia, Daniel

2015-04-01

Modeling multi-species reactive transport in natural systems with strong heterogeneities and complex biochemical reactions is a major challenge for assessing groundwater polluted sites with organic and inorganic contaminants. A large variety of these contaminants react according to serial-parallel reaction networks commonly simplified by a combination of first-order kinetic reactions. In this context, a random-walk particle tracking method is presented. This method is capable of efficiently simulating the motion of particles affected by first-order network reactions in three-dimensional systems, which are represented by spatially variable physical and biochemical coefficients described at high resolution. The approach is based on the development of transition probabilities that describe the likelihood that particles belonging to a given species and location at a given time will be transformed into and moved to another species and location afterwards. These probabilities are derived from the solution matrix of the spatial moments governing equations. The method is fully coupled with reactions, free of numerical dispersion and overcomes the inherent numerical problems stemming from the incorporation of heterogeneities to reactive transport codes. In doing this, we demonstrate that the motion of particles follows a standard random walk with time-dependent effective retardation and dispersion parameters that depend on the initial and final chemical state of the particle. The behavior of effective parameters develops as a result of differential retardation effects among species. Moreover, explicit analytic solutions of the transition probability matrix and related particle motions are provided for serial reactions. An example of the effect of heterogeneity on the dechlorination of organic solvents in a three-dimensional random porous media shows that the power-law behavior typically observed in conservative tracers breakthrough curves can be largely compromised by the effect of biochemical reactions.

Toward efficiency in heterogeneous multispecies reactive transport modeling: A particle-tracking solution for first-order network reactions

NASA Astrophysics Data System (ADS)

Henri, Christopher V.; Fernàndez-Garcia, Daniel

2014-09-01

Modeling multispecies reactive transport in natural systems with strong heterogeneities and complex biochemical reactions is a major challenge for assessing groundwater polluted sites with organic and inorganic contaminants. A large variety of these contaminants react according to serial-parallel reaction networks commonly simplified by a combination of first-order kinetic reactions. In this context, a random-walk particle tracking method is presented. This method is capable of efficiently simulating the motion of particles affected by first-order network reactions in three-dimensional systems, which are represented by spatially variable physical and biochemical coefficients described at high resolution. The approach is based on the development of transition probabilities that describe the likelihood that particles belonging to a given species and location at a given time will be transformed into and moved to another species and location afterward. These probabilities are derived from the solution matrix of the spatial moments governing equations. The method is fully coupled with reactions, free of numerical dispersion and overcomes the inherent numerical problems stemming from the incorporation of heterogeneities to reactive transport codes. In doing this, we demonstrate that the motion of particles follows a standard random walk with time-dependent effective retardation and dispersion parameters that depend on the initial and final chemical state of the particle. The behavior of effective parameters develops as a result of differential retardation effects among species. Moreover, explicit analytic solutions of the transition probability matrix and related particle motions are provided for serial reactions. An example of the effect of heterogeneity on the dechlorination of organic solvents in a three-dimensional random porous media shows that the power-law behavior typically observed in conservative tracers breakthrough curves can be largely compromised by the effect of biochemical reactions.

Quasi 3D modeling of water flow and solute transport in vadose zone and groundwater

NASA Astrophysics Data System (ADS)

Yakirevich, A.; Kuznetsov, M.; Weisbrod, N.; Pachepsky, Y. A.

2013-12-01

The complexity of subsurface flow systems calls for a variety of concepts leading to the multiplicity of simplified flow models. One commonly used simplification is based on the assumption that lateral flow and transport in unsaturated zone is insignificant unless the capillary fringe is involved. In such cases the flow and transport in the unsaturated zone above groundwater level can be simulated as a 1D phenomenon, whereas through groundwater they are viewed as 2D or 3D phenomena. A new approach for a numerical scheme for 3D variably saturated flow and transport is presented. A Quasi-3D approach allows representing flow in the 'vadose zone - aquifer' system by a series of 1D Richards' equations solved in variably-saturated zone and by 3D-saturated flow equation in groundwater (modified MODFLOW code). The 1D and 3D equations are coupled at the phreatic surface in a way that aquifer replenishment is calculated using the Richards' equation, and solving for the moving water table does not require definition of the specific yield parameter. The 3D advection-dispersion equation is solved in the entire domain by the MT3D code. Using implicit finite differences approximation to couple processes in the vadose zone and groundwater provides mass conservation and increase of computational efficiency. The above model was applied to simulate the impact of irrigation on groundwater salinity in the Alto Piura aquifer (Northern Peru). Studies on changing groundwater quality in arid and semi-arid lands show that irrigation return flow is one of the major factors contributing to aquifer salinization. Existing mathematical models do not account explicitly for the solute recycling during irrigation on a daily scale. Recycling occurs throughout the unsaturated and saturated zones, as function of the solute mass extracted from pumping wells. Salt concentration in irrigation water is calculated at each time step as a function of concentration of both surface water and groundwater extracted at specific locations. Three scenarios were considered: (i) use of furrow irrigation and groundwater extraction (the present situation); (ii) increase of groundwater pumping by 50% compared to the first scenario; and (iii) transition from furrow irrigation to drip irrigation, thus decreasing irrigation volume by around 60% compared to the first scenario. Results indicate that in different irrigation areas, the simulated increase rates of total dissolved solids in groundwater vary from 3 to17 mg/L/ year, depending on hydrogeological and hydrochemical conditions, volumes of water extracted, and proportion between surface water and groundwater applied. The transition from furrow irrigation to drip irrigation can decrease the negative impact of return flow on groundwater quality; however drip irrigation causes faster simulated soil salinization compared to furrow irrigation. The quasi 3D modeling appeared to be efficient in elucidating solute recycling effects on soil and groundwater salinity.

Capabilities overview of the MORET 5 Monte Carlo code

NASA Astrophysics Data System (ADS)

Cochet, B.; Jinaphanh, A.; Heulers, L.; Jacquet, O.

2014-06-01

The MORET code is a simulation tool that solves the transport equation for neutrons using the Monte Carlo method. It allows users to model complex three-dimensional geometrical configurations, describe the materials, define their own tallies in order to analyse the results. The MORET code has been initially designed to perform calculations for criticality safety assessments. New features has been introduced in the MORET 5 code to expand its use for reactor applications. This paper presents an overview of the MORET 5 code capabilities, going through the description of materials, the geometry modelling, the transport simulation and the definition of the outputs.

Computational analysis of the SSME fuel preburner flow

NASA Technical Reports Server (NTRS)

Wang, T. S.; Farmer, R. C.

1986-01-01

A computational fluid dynamics model which simulates the steady state operation of the SSME fuel preburner is developed. Specifically, the model will be used to quantify the flow factors which cause local hot spots in the fuel preburner in order to recommend experiments whereby the control of undesirable flow features can be demonstrated. The results of a two year effort to model the preburner are presented. In this effort, investigating the fuel preburner flowfield, the appropriate transport equations were numerically solved for both an axisymmetric and a three-dimensional configuration. Continuum's VAST (Variational Solution of the Transport equations) code, in conjunction with the CM-1000 Engineering Analysis Workstation and the NASA/Ames CYBER 205, was used to perform the required calculations. It is concluded that the preburner operational anomalies are not due to steady state phenomena and must, therefore, be related to transient operational procedures.

The linear Boltzmann equation in slab geometry - Development and verification of a reliable and efficient solution

NASA Technical Reports Server (NTRS)

Stamnes, K.; Lie-Svendsen, O.; Rees, M. H.

1991-01-01

The linear Boltzmann equation can be cast in a form mathematically identical to the radiation-transport equation. A multigroup procedure is used to reduce the energy (or velocity) dependence of the transport equation to a series of one-speed problems. Each of these one-speed problems is equivalent to the monochromatic radiative-transfer problem, and existing software is used to solve this problem in slab geometry. The numerical code conserves particles in elastic collisions. Generic examples are provided to illustrate the applicability of this approach. Although this formalism can, in principle, be applied to a variety of test particle or linearized gas dynamics problems, it is particularly well-suited to study the thermalization of suprathermal particles interacting with a background medium when the thermal motion of the background cannot be ignored. Extensions of the formalism to include external forces and spherical geometry are also feasible.

Generalized analytical solutions to sequentially coupled multi-species advective-dispersive transport equations in a finite domain subject to an arbitrary time-dependent source boundary condition

NASA Astrophysics Data System (ADS)

Chen, Jui-Sheng; Liu, Chen-Wuing; Liang, Ching-Ping; Lai, Keng-Hsin

2012-08-01

SummaryMulti-species advective-dispersive transport equations sequentially coupled with first-order decay reactions are widely used to describe the transport and fate of the decay chain contaminants such as radionuclide, chlorinated solvents, and nitrogen. Although researchers attempted to present various types of methods for analytically solving this transport equation system, the currently available solutions are mostly limited to an infinite or a semi-infinite domain. A generalized analytical solution for the coupled multi-species transport problem in a finite domain associated with an arbitrary time-dependent source boundary is not available in the published literature. In this study, we first derive generalized analytical solutions for this transport problem in a finite domain involving arbitrary number of species subject to an arbitrary time-dependent source boundary. Subsequently, we adopt these derived generalized analytical solutions to obtain explicit analytical solutions for a special-case transport scenario involving an exponentially decaying Bateman type time-dependent source boundary. We test the derived special-case solutions against the previously published coupled 4-species transport solution and the corresponding numerical solution with coupled 10-species transport to conduct the solution verification. Finally, we compare the new analytical solutions derived for a finite domain against the published analytical solutions derived for a semi-infinite domain to illustrate the effect of the exit boundary condition on coupled multi-species transport with an exponential decaying source boundary. The results show noticeable discrepancies between the breakthrough curves of all the species in the immediate vicinity of the exit boundary obtained from the analytical solutions for a finite domain and a semi-infinite domain for the dispersion-dominated condition.

Adaptive Nodal Transport Methods for Reactor Transient Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thomas Downar; E. Lewis

2005-08-31

Develop methods for adaptively treating the angular, spatial, and time dependence of the neutron flux in reactor transient analysis. These methods were demonstrated in the DOE transport nodal code VARIANT and the US NRC spatial kinetics code, PARCS.

Design applications for supercomputers

NASA Technical Reports Server (NTRS)

Studerus, C. J.

1987-01-01

The complexity of codes for solutions of real aerodynamic problems has progressed from simple two-dimensional models to three-dimensional inviscid and viscous models. As the algorithms used in the codes increased in accuracy, speed and robustness, the codes were steadily incorporated into standard design processes. The highly sophisticated codes, which provide solutions to the truly complex flows, require computers with large memory and high computational speed. The advent of high-speed supercomputers, such that the solutions of these complex flows become more practical, permits the introduction of the codes into the design system at an earlier stage. The results of several codes which either were already introduced into the design process or are rapidly in the process of becoming so, are presented. The codes fall into the area of turbomachinery aerodynamics and hypersonic propulsion. In the former category, results are presented for three-dimensional inviscid and viscous flows through nozzle and unducted fan bladerows. In the latter category, results are presented for two-dimensional inviscid and viscous flows for hypersonic vehicle forebodies and engine inlets.

FOURTH SEMINAR TO THE MEMORY OF D.N. KLYSHKO: Algebraic solution of the synthesis problem for coded sequences

NASA Astrophysics Data System (ADS)

Leukhin, Anatolii N.

2005-08-01

The algebraic solution of a 'complex' problem of synthesis of phase-coded (PC) sequences with the zero level of side lobes of the cyclic autocorrelation function (ACF) is proposed. It is shown that the solution of the synthesis problem is connected with the existence of difference sets for a given code dimension. The problem of estimating the number of possible code combinations for a given code dimension is solved. It is pointed out that the problem of synthesis of PC sequences is related to the fundamental problems of discrete mathematics and, first of all, to a number of combinatorial problems, which can be solved, as the number factorisation problem, by algebraic methods by using the theory of Galois fields and groups.

Reduction of Mn-oxides by ferrous iron in a flow system: column experiment and reactive transport modeling

NASA Astrophysics Data System (ADS)

Postma, D.; Appelo, C. A. J.

2000-04-01

The reduction of Mn-oxide by Fe2+ was studied in column experiments, using a column filled with natural Mn-oxide coated sand. Analysis of the Mn-oxide indicated the presence of both Mn(III) and Mn(IV) in the Mn-oxide. The initial exchange capacity of the column was determined by displacement of adsorbed Ca2+ with Mg2+. Subsequently a FeCl2 solution was injected into the column causing the reduction of the Mn-oxide and the precipitation of Fe(OH)3. Finally the exchange capacity of the column containing newly formed Fe(OH)3 was determined by injection of a KBr solution. During injection of the FeCl2 solution into the column, an ion distribution pattern was observed in the effluent that suggests the formation of separate reaction fronts for Mn(III)-oxide and Mn(IV)-oxide travelling at different velocities through the column. At the proximal reaction front, Fe2+ reacts with MnO2 producing Fe(OH)3, Mn2+ and H+. The protons are transported downstream and cause the disproportionation of MnOOH at a separate reaction front. Between the two Mn reaction fronts, the dissolution and precipitation of Fe(OH)3 and Al(OH)3 act as proton buffers. Reactive transport modeling, using the code PHREEQC 2.0, was done to quantify and analyze the reaction controls and the coupling between transport and chemical processes. A model containing only mineral equilibria constraints for birnessite, manganite, gibbsite, and ferrihydrite, was able to explain the overall reaction pattern with the sequential appearance of Mn2+, Al3+, Fe3+, and Fe2+ in the column outlet solution. However, the initial breakthrough of a peak of Ca2+ and the observed pH buffering indicated that exchange processes were of importance as well. The amount of potential exchangers, such as birnessite and ferrihydrite, did vary in the course of the experiment. A model containing surface complexation coupled to varying concentrations of birnessite and ferrihydrite and a constant charge exchanger in addition to mineral equilibria provided a satisfactory description of the distribution of all solutes in time and space. However, the observed concentration profiles are more gradual than indicated by the equilibrium model. Reaction kinetics for the dissolution of MnO2 and MnOOH and dissolution of Al(OH)3 were incorporated in the model, which explained the shape of the breakthrough curves satisfactorily. The results of this study emphasize the importance of understanding the interplay between chemical reactions and transport in addition to interactions between redox, proton buffering, and adsorption processes when dealing with natural sediments. Reactive transport modeling is a powerful tool to analyze and quantify such interactions.

The Athena Astrophysical MHD Code in Cylindrical Geometry

NASA Astrophysics Data System (ADS)

Skinner, M. A.; Ostriker, E. C.

2011-10-01

We have developed a method for implementing cylindrical coordinates in the Athena MHD code (Skinner & Ostriker 2010). The extension has been designed to alter the existing Cartesian-coordinates code (Stone et al. 2008) as minimally and transparently as possible. The numerical equations in cylindrical coordinates are formulated to maintain consistency with constrained transport, a central feature of the Athena algorithm, while making use of previously implemented code modules such as the eigensystems and Riemann solvers. Angular-momentum transport, which is critical in astrophysical disk systems dominated by rotation, is treated carefully. We describe modifications for cylindrical coordinates of the higher-order spatial reconstruction and characteristic evolution steps as well as the finite-volume and constrained transport updates. Finally, we have developed a test suite of standard and novel problems in one-, two-, and three-dimensions designed to validate our algorithms and implementation and to be of use to other code developers. The code is suitable for use in a wide variety of astrophysical applications and is freely available for download on the web.

Transport and equilibrium in field-reversed mirrors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boyd, J.K.

Two plasma models relevant to compact torus research have been developed to study transport and equilibrium in field reversed mirrors. In the first model for small Larmor radius and large collision frequency, the plasma is described as an adiabatic hydromagnetic fluid. In the second model for large Larmor radius and small collision frequency, a kinetic theory description has been developed. Various aspects of the two models have been studied in five computer codes ADB, AV, NEO, OHK, RES. The ADB code computes two dimensional equilibrium and one dimensional transport in a flux coordinate. The AV code calculates orbit average integralsmore » in a harmonic oscillator potential. The NEO code follows particle trajectories in a Hill's vortex magnetic field to study stochasticity, invariants of the motion, and orbit average formulas. The OHK code displays analytic psi(r), B/sub Z/(r), phi(r), E/sub r/(r) formulas developed for the kinetic theory description. The RES code calculates resonance curves to consider overlap regions relevant to stochastic orbit behavior.« less

Benchmarking of neutron production of heavy-ion transport codes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Remec, I.; Ronningen, R. M.; Heilbronn, L.

Document available in abstract form only, full text of document follows: Accurate prediction of radiation fields generated by heavy ion interactions is important in medical applications, space missions, and in design and operation of rare isotope research facilities. In recent years, several well-established computer codes in widespread use for particle and radiation transport calculations have been equipped with the capability to simulate heavy ion transport and interactions. To assess and validate these capabilities, we performed simulations of a series of benchmark-quality heavy ion experiments with the computer codes FLUKA, MARS15, MCNPX, and PHITS. We focus on the comparisons of secondarymore » neutron production. Results are encouraging; however, further improvements in models and codes and additional benchmarking are required. (authors)« less

Method for calculating internal radiation and ventilation with the ADINAT heat-flow code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Butkovich, T.R.; Montan, D.N.

1980-04-01

One objective of the spent fuel test in Climax Stock granite (SFTC) is to correctly model the thermal transport, and the changes in the stress field and accompanying displacements from the application of the thermal loads. We have chosen the ADINA and ADINAT finite element codes to do these calculations. ADINAT is a heat transfer code compatible to the ADINA displacement and stress analysis code. The heat flow problem encountered at SFTC requires a code with conduction, radiation, and ventilation capabilities, which the present version of ADINAT does not have. We have devised a method for calculating internal radiation andmore » ventilation with the ADINAT code. This method effectively reproduces the results from the TRUMP multi-dimensional finite difference code, which correctly models radiative heat transport between drift surfaces, conductive and convective thermal transport to and through air in the drifts, and mass flow of air in the drifts. The temperature histories for each node in the finite element mesh calculated with ADINAT using this method can be used directly in the ADINA thermal-mechanical calculation.« less

Monte Carlo Modeling of the Initial Radiation Emitted by a Nuclear Device in the National Capital Region

DTIC Science & Technology

2013-07-01

also simulated in the models. Data was derived from calculations using the three-dimensional Monte Carlo radiation transport code MCNP (Monte Carlo N...32  B.  MCNP PHYSICS OPTIONS ......................................................................................... 33  C.  HAZUS...input deck’) for the MCNP , Monte Carlo N-Particle, radiation transport code. MCNP is a general-purpose code designed to simulate neutron, photon

Considerations of MCNP Monte Carlo code to be used as a radiotherapy treatment planning tool.

PubMed

Juste, B; Miro, R; Gallardo, S; Verdu, G; Santos, A

2005-01-01

The present work has simulated the photon and electron transport in a Theratron 780® (MDS Nordion)⁶⁰Co radiotherapy unit, using the Monte Carlo transport code, MCNP (Monte Carlo N-Particle). This project explains mainly the different methodologies carried out to speedup calculations in order to apply this code efficiently in radiotherapy treatment planning.

COSIM: A Finite-Difference Computer Model to Predict Ternary Concentration Profiles Associated With Oxidation and Interdiffusion of Overlay-Coated Substrates

NASA Technical Reports Server (NTRS)

Nesbitt, James A.

2001-01-01

A finite-difference computer program (COSIM) has been written which models the one-dimensional, diffusional transport associated with high-temperature oxidation and interdiffusion of overlay-coated substrates. The program predicts concentration profiles for up to three elements in the coating and substrate after various oxidation exposures. Surface recession due to solute loss is also predicted. Ternary cross terms and concentration-dependent diffusion coefficients are taken into account. The program also incorporates a previously-developed oxide growth and spalling model to simulate either isothermal or cyclic oxidation exposures. In addition to predicting concentration profiles after various oxidation exposures, the program can also be used to predict coating life based on a concentration dependent failure criterion (e.g., surface solute content drops to 2%). The computer code is written in FORTRAN and employs numerous subroutines to make the program flexible and easily modifiable to other coating oxidation problems.

Validation of MCNP: SPERT-D and BORAX-V fuel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Crawford, C.; Palmer, B.

1992-11-01

This report discusses critical experiments involving SPERT-D{sup 1,2} fuel elements and BORAX-V{sup 3-8} fuel which have been modeled and calculations performed with MCNP. MCNP is a Monte Carlo based transport code. For this study continuous-energy nuclear data from the ENDF/B-V cross section library was used. The SPERT-D experiments consisted of various arrays of fuel elements moderated and reflected with either water or a uranyl nitrate solution. Some SPERT-D experiments used cadmium as a fixed neutron poison, while others were poisoned with various concentrations of boron in the moderating/reflecting solution. ne BORAX-V experiments were arrays of either boiling fuel rod assembliesmore » or superheater assemblies, both types of arrays were moderated and reflected with water. In one boiling fuel experiment, two fuel rods were replaced with borated stainless steel poison rods.« less

Validation of MCNP: SPERT-D and BORAX-V fuel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Crawford, C.; Palmer, B.

1992-11-01

This report discusses critical experiments involving SPERT-D[sup 1,2] fuel elements and BORAX-V[sup 3-8] fuel which have been modeled and calculations performed with MCNP. MCNP is a Monte Carlo based transport code. For this study continuous-energy nuclear data from the ENDF/B-V cross section library was used. The SPERT-D experiments consisted of various arrays of fuel elements moderated and reflected with either water or a uranyl nitrate solution. Some SPERT-D experiments used cadmium as a fixed neutron poison, while others were poisoned with various concentrations of boron in the moderating/reflecting solution. ne BORAX-V experiments were arrays of either boiling fuel rod assembliesmore » or superheater assemblies, both types of arrays were moderated and reflected with water. In one boiling fuel experiment, two fuel rods were replaced with borated stainless steel poison rods.« less

High density operation for reactor-relevant power exhaust

NASA Astrophysics Data System (ADS)

Wischmeier, M.; ASDEX Upgrade Team; Jet Efda Contributors

2015-08-01

With increasing size of a tokamak device and associated fusion power gain an increasing power flux density towards the divertor needs to be handled. A solution for handling this power flux is crucial for a safe and economic operation. Using purely geometric arguments in an ITER-like divertor this power flux can be reduced by approximately a factor 100. Based on a conservative extrapolation of current technology for an integrated engineering approach to remove power deposited on plasma facing components a further reduction of the power flux density via volumetric processes in the plasma by up to a factor of 50 is required. Our current ability to interpret existing power exhaust scenarios using numerical transport codes is analyzed and an operational scenario as a potential solution for ITER like divertors under high density and highly radiating reactor-relevant conditions is presented. Alternative concepts for risk mitigation as well as strategies for moving forward are outlined.

CTViz: A tool for the visualization of transport in nanocomposites.

PubMed

Beach, Benjamin; Brown, Joshua; Tarlton, Taylor; Derosa, Pedro A

2016-05-01

A visualization tool (CTViz) for charge transport processes in 3-D hybrid materials (nanocomposites) was developed, inspired by the need for a graphical application to assist in code debugging and data presentation of an existing in-house code. As the simulation code grew, troubleshooting problems grew increasingly difficult without an effective way to visualize 3-D samples and charge transport in those samples. CTViz is able to produce publication and presentation quality visuals of the simulation box, as well as static and animated visuals of the paths of individual carriers through the sample. CTViz was designed to provide a high degree of flexibility in the visualization of the data. A feature that characterizes this tool is the use of shade and transparency levels to highlight important details in the morphology or in the transport paths by hiding or dimming elements of little relevance to the current view. This is fundamental for the visualization of 3-D systems with complex structures. The code presented here provides these required capabilities, but has gone beyond the original design and could be used as is or easily adapted for the visualization of other particulate transport where transport occurs on discrete paths. Copyright © 2016 Elsevier Inc. All rights reserved.

Rural School District Dress Code Implementation: Perceptions of Stakeholders after First Year

ERIC Educational Resources Information Center

Wright, Krystal M.

2012-01-01

Schools are continuously searching for solutions to solve truancy, academic, behavioral, safety, and climate issues. One of the latest trends in education is requiring students to adhere to dress codes as a solution to these issues. Dress codes can range from slightly restrictive clothing to the requiring of a uniform. Many school district…

Boost-phase discrimination research activities

NASA Technical Reports Server (NTRS)

Cooper, David M.; Deiwert, George S.

1989-01-01

Theoretical research in two areas was performed. The aerothermodynamics research focused on the hard-body and rocket plume flows. Analytical real gas models to describe finite rate chemistry were developed and incorporated into the three-dimensional flow codes. New numerical algorithms capable of treating multi-species reacting gas equations and treating flows with large gradients were also developed. The computational chemistry research focused on the determination of spectral radiative intensity factors, transport properties and reaction rates. Ab initio solutions to the Schrodinger equation provided potential energy curves transition moments (radiative probabilities and strengths) and potential energy surfaces. These surfaces were then coupled with classical particle reactive trajectories to compute reaction cross-sections and rates.

Identification of Trends into Dose Calculations for Astronauts through Performing Sensitivity Analysis on Calculational Models Used by the Radiation Health Office

NASA Technical Reports Server (NTRS)

Adams, Thomas; VanBaalen, Mary

2009-01-01

The Radiation Health Office (RHO) determines each astronaut s cancer risk by using models to associate the amount of radiation dose that astronauts receive from spaceflight missions. The baryon transport codes (BRYNTRN), high charge (Z) and energy transport codes (HZETRN), and computer risk models are used to determine the effective dose received by astronauts in Low Earth orbit (LEO). This code uses an approximation of the Boltzman transport formula. The purpose of the project is to run this code for various International Space Station (ISS) flight parameters in order to gain a better understanding of how this code responds to different scenarios. The project will determine how variations in one set of parameters such as, the point of the solar cycle and altitude can affect the radiation exposure of astronauts during ISS missions. This project will benefit NASA by improving mission dosimetry.

GPU accelerated simulations of 3D deterministic particle transport using discrete ordinates method

NASA Astrophysics Data System (ADS)

Gong, Chunye; Liu, Jie; Chi, Lihua; Huang, Haowei; Fang, Jingyue; Gong, Zhenghu

2011-07-01

Graphics Processing Unit (GPU), originally developed for real-time, high-definition 3D graphics in computer games, now provides great faculty in solving scientific applications. The basis of particle transport simulation is the time-dependent, multi-group, inhomogeneous Boltzmann transport equation. The numerical solution to the Boltzmann equation involves the discrete ordinates ( Sn) method and the procedure of source iteration. In this paper, we present a GPU accelerated simulation of one energy group time-independent deterministic discrete ordinates particle transport in 3D Cartesian geometry (Sweep3D). The performance of the GPU simulations are reported with the simulations of vacuum boundary condition. The discussion of the relative advantages and disadvantages of the GPU implementation, the simulation on multi GPUs, the programming effort and code portability are also reported. The results show that the overall performance speedup of one NVIDIA Tesla M2050 GPU ranges from 2.56 compared with one Intel Xeon X5670 chip to 8.14 compared with one Intel Core Q6600 chip for no flux fixup. The simulation with flux fixup on one M2050 is 1.23 times faster than on one X5670.

Simulations of neutron transport at low energy: a comparison between GEANT and MCNP.

PubMed

Colonna, N; Altieri, S

2002-06-01

The use of the simulation tool GEANT for neutron transport at energies below 20 MeV is discussed, in particular with regard to shielding and dose calculations. The reliability of the GEANT/MICAP package for neutron transport in a wide energy range has been verified by comparing the results of simulations performed with this package in a wide energy range with the prediction of MCNP-4B, a code commonly used for neutron transport at low energy. A reasonable agreement between the results of the two codes is found for the neutron flux through a slab of material (iron and ordinary concrete), as well as for the dose released in soft tissue by neutrons. These results justify the use of the GEANT/MICAP code for neutron transport in a wide range of applications, including health physics problems.

Overview of the NASA Glenn Flux Reconstruction Based High-Order Unstructured Grid Code

NASA Technical Reports Server (NTRS)

Spiegel, Seth C.; DeBonis, James R.; Huynh, H. T.

2016-01-01

A computational fluid dynamics code based on the flux reconstruction (FR) method is currently being developed at NASA Glenn Research Center to ultimately provide a large- eddy simulation capability that is both accurate and efficient for complex aeropropulsion flows. The FR approach offers a simple and efficient method that is easy to implement and accurate to an arbitrary order on common grid cell geometries. The governing compressible Navier-Stokes equations are discretized in time using various explicit Runge-Kutta schemes, with the default being the 3-stage/3rd-order strong stability preserving scheme. The code is written in modern Fortran (i.e., Fortran 2008) and parallelization is attained through MPI for execution on distributed-memory high-performance computing systems. An h- refinement study of the isentropic Euler vortex problem is able to empirically demonstrate the capability of the FR method to achieve super-accuracy for inviscid flows. Additionally, the code is applied to the Taylor-Green vortex problem, performing numerous implicit large-eddy simulations across a range of grid resolutions and solution orders. The solution found by a pseudo-spectral code is commonly used as a reference solution to this problem, and the FR code is able to reproduce this solution using approximately the same grid resolution. Finally, an examination of the code's performance demonstrates good parallel scaling, as well as an implementation of the FR method with a computational cost/degree- of-freedom/time-step that is essentially independent of the solution order of accuracy for structured geometries.

SHIELD and HZETRN comparisons of pion production cross sections

NASA Astrophysics Data System (ADS)

Norbury, John W.; Sobolevsky, Nikolai; Werneth, Charles M.

2018-03-01

A program of comparing American (NASA) and Russian (ROSCOSMOS) space radiation transport codes has recently begun, and the first paper directly comparing the NASA and ROSCOSMOS space radiation transport codes, HZETRN and SHIELD respectively has recently appeared. The present work represents the second time that NASA and ROSCOSMOS calculations have been directly compared, and the focus here is on models of pion production cross sections used in the two transport codes mentioned above. It was found that these models are in overall moderate agreement with each other and with experimental data. Disagreements that were found are discussed.

Evaluation and utilization of beam simulation codes for the SNS ion source and low energy beam transport developmenta)

NASA Astrophysics Data System (ADS)

Han, B. X.; Welton, R. F.; Stockli, M. P.; Luciano, N. P.; Carmichael, J. R.

2008-02-01

Beam simulation codes PBGUNS, SIMION, and LORENTZ-3D were evaluated by modeling the well-diagnosed SNS base line ion source and low energy beam transport (LEBT) system. Then, an investigation was conducted using these codes to assist our ion source and LEBT development effort which is directed at meeting the SNS operational and also the power-upgrade project goals. A high-efficiency H- extraction system as well as magnetic and electrostatic LEBT configurations capable of transporting up to 100mA is studied using these simulation tools.

Development of Spectral and Atomic Models for Diagnosing Energetic Particle Characteristics in Fast Ignition Experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

MacFarlane, Joseph J.; Golovkin, I. E.; Woodruff, P. R.

2009-08-07

This Final Report summarizes work performed under DOE STTR Phase II Grant No. DE-FG02-05ER86258 during the project period from August 2006 to August 2009. The project, “Development of Spectral and Atomic Models for Diagnosing Energetic Particle Characteristics in Fast Ignition Experiments,” was led by Prism Computational Sciences (Madison, WI), and involved collaboration with subcontractors University of Nevada-Reno and Voss Scientific (Albuquerque, NM). In this project, we have: Developed and implemented a multi-dimensional, multi-frequency radiation transport model in the LSP hybrid fluid-PIC (particle-in-cell) code [1,2]. Updated the LSP code to support the use of accurate equation-of-state (EOS) tables generated by Prism’smore » PROPACEOS [3] code to compute more accurate temperatures in high energy density physics (HEDP) plasmas. Updated LSP to support the use of Prism’s multi-frequency opacity tables. Generated equation of state and opacity data for LSP simulations for several materials being used in plasma jet experimental studies. Developed and implemented parallel processing techniques for the radiation physics algorithms in LSP. Benchmarked the new radiation transport and radiation physics algorithms in LSP and compared simulation results with analytic solutions and results from numerical radiation-hydrodynamics calculations. Performed simulations using Prism radiation physics codes to address issues related to radiative cooling and ionization dynamics in plasma jet experiments. Performed simulations to study the effects of radiation transport and radiation losses due to electrode contaminants in plasma jet experiments. Updated the LSP code to generate output using NetCDF to provide a better, more flexible interface to SPECT3D [4] in order to post-process LSP output. Updated the SPECT3D code to better support the post-processing of large-scale 2-D and 3-D datasets generated by simulation codes such as LSP. Updated atomic physics modeling to provide for more comprehensive and accurate atomic databases that feed into the radiation physics modeling (spectral simulations and opacity tables). Developed polarization spectroscopy modeling techniques suitable for diagnosing energetic particle characteristics in HEDP experiments. A description of these items is provided in this report. The above efforts lay the groundwork for utilizing the LSP and SPECT3D codes in providing simulation support for DOE-sponsored HEDP experiments, such as plasma jet and fast ignition physics experiments. We believe that taken together, the LSP and SPECT3D codes have unique capabilities for advancing our understanding of the physics of these HEDP plasmas. Based on conversations early in this project with our DOE program manager, Dr. Francis Thio, our efforts emphasized developing radiation physics and atomic modeling capabilities that can be utilized in the LSP PIC code, and performing radiation physics studies for plasma jets. A relatively minor component focused on the development of methods to diagnose energetic particle characteristics in short-pulse laser experiments related to fast ignition physics. The period of performance for the grant was extended by one year to August 2009 with a one-year no-cost extension, at the request of subcontractor University of Nevada-Reno.« less

QX MAN: Q and X file manipulation

NASA Technical Reports Server (NTRS)

Krein, Mark A.

1992-01-01

QX MAN is a grid and solution file manipulation program written primarily for the PARC code and the GRIDGEN family of grid generation codes. QX MAN combines many of the features frequently encountered in grid generation, grid refinement, the setting-up of initial conditions, and post processing. QX MAN allows the user to manipulate single block and multi-block grids (and their accompanying solution files) by splitting, concatenating, rotating, translating, re-scaling, and stripping or adding points. In addition, QX MAN can be used to generate an initial solution file for the PARC code. The code was written to provide several formats for input and output in order for it to be useful in a broad spectrum of applications.

Accelerating execution of the integrated TIGER series Monte Carlo radiation transport codes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, L.M.; Hochstedler, R.D.

1997-02-01

Execution of the integrated TIGER series (ITS) of coupled electron/photon Monte Carlo radiation transport codes has been accelerated by modifying the FORTRAN source code for more efficient computation. Each member code of ITS was benchmarked and profiled with a specific test case that directed the acceleration effort toward the most computationally intensive subroutines. Techniques for accelerating these subroutines included replacing linear search algorithms with binary versions, replacing the pseudo-random number generator, reducing program memory allocation, and proofing the input files for geometrical redundancies. All techniques produced identical or statistically similar results to the original code. Final benchmark timing of themore » accelerated code resulted in speed-up factors of 2.00 for TIGER (the one-dimensional slab geometry code), 1.74 for CYLTRAN (the two-dimensional cylindrical geometry code), and 1.90 for ACCEPT (the arbitrary three-dimensional geometry code).« less

A biomechanical triphasic approach to the transport of nondilute solutions in articular cartilage.

PubMed

Abazari, Alireza; Elliott, Janet A W; Law, Garson K; McGann, Locksley E; Jomha, Nadr M

2009-12-16

Biomechanical models for biological tissues such as articular cartilage generally contain an ideal, dilute solution assumption. In this article, a biomechanical triphasic model of cartilage is described that includes nondilute treatment of concentrated solutions such as those applied in vitrification of biological tissues. The chemical potential equations of the triphasic model are modified and the transport equations are adjusted for the volume fraction and frictional coefficients of the solutes that are not negligible in such solutions. Four transport parameters, i.e., water permeability, solute permeability, diffusion coefficient of solute in solvent within the cartilage, and the cartilage stiffness modulus, are defined as four degrees of freedom for the model. Water and solute transport in cartilage were simulated using the model and predictions of average concentration increase and cartilage weight were fit to experimental data to obtain the values of the four transport parameters. As far as we know, this is the first study to formulate the solvent and solute transport equations of nondilute solutions in the cartilage matrix. It is shown that the values obtained for the transport parameters are within the ranges reported in the available literature, which confirms the proposed model approach.

A Biomechanical Triphasic Approach to the Transport of Nondilute Solutions in Articular Cartilage

PubMed Central

Abazari, Alireza; Elliott, Janet A.W.; Law, Garson K.; McGann, Locksley E.; Jomha, Nadr M.

2009-01-01

Abstract Biomechanical models for biological tissues such as articular cartilage generally contain an ideal, dilute solution assumption. In this article, a biomechanical triphasic model of cartilage is described that includes nondilute treatment of concentrated solutions such as those applied in vitrification of biological tissues. The chemical potential equations of the triphasic model are modified and the transport equations are adjusted for the volume fraction and frictional coefficients of the solutes that are not negligible in such solutions. Four transport parameters, i.e., water permeability, solute permeability, diffusion coefficient of solute in solvent within the cartilage, and the cartilage stiffness modulus, are defined as four degrees of freedom for the model. Water and solute transport in cartilage were simulated using the model and predictions of average concentration increase and cartilage weight were fit to experimental data to obtain the values of the four transport parameters. As far as we know, this is the first study to formulate the solvent and solute transport equations of nondilute solutions in the cartilage matrix. It is shown that the values obtained for the transport parameters are within the ranges reported in the available literature, which confirms the proposed model approach. PMID:20006942

AN OPEN-SOURCE NEUTRINO RADIATION HYDRODYNAMICS CODE FOR CORE-COLLAPSE SUPERNOVAE

DOE Office of Scientific and Technical Information (OSTI.GOV)

O’Connor, Evan, E-mail: evanoconnor@ncsu.edu; CITA, Canadian Institute for Theoretical Astrophysics, Toronto, M5S 3H8

2015-08-15

We present an open-source update to the spherically symmetric, general-relativistic hydrodynamics, core-collapse supernova (CCSN) code GR1D. The source code is available at http://www.GR1Dcode.org. We extend its capabilities to include a general-relativistic treatment of neutrino transport based on the moment formalisms of Shibata et al. and Cardall et al. We pay special attention to implementing and testing numerical methods and approximations that lessen the computational demand of the transport scheme by removing the need to invert large matrices. This is especially important for the implementation and development of moment-like transport methods in two and three dimensions. A critical component of neutrinomore » transport calculations is the neutrino–matter interaction coefficients that describe the production, absorption, scattering, and annihilation of neutrinos. In this article we also describe our open-source neutrino interaction library NuLib (available at http://www.nulib.org). We believe that an open-source approach to describing these interactions is one of the major steps needed to progress toward robust models of CCSNe and robust predictions of the neutrino signal. We show, via comparisons to full Boltzmann neutrino-transport simulations of CCSNe, that our neutrino transport code performs remarkably well. Furthermore, we show that the methods and approximations we employ to increase efficiency do not decrease the fidelity of our results. We also test the ability of our general-relativistic transport code to model failed CCSNe by evolving a 40-solar-mass progenitor to the onset of collapse to a black hole.« less

The iFlow modelling framework v2.4: a modular idealized process-based model for flow and transport in estuaries

NASA Astrophysics Data System (ADS)

Dijkstra, Yoeri M.; Brouwer, Ronald L.; Schuttelaars, Henk M.; Schramkowski, George P.

2017-07-01

The iFlow modelling framework is a width-averaged model for the systematic analysis of the water motion and sediment transport processes in estuaries and tidal rivers. The distinctive solution method, a mathematical perturbation method, used in the model allows for identification of the effect of individual physical processes on the water motion and sediment transport and study of the sensitivity of these processes to model parameters. This distinction between processes provides a unique tool for interpreting and explaining hydrodynamic interactions and sediment trapping. iFlow also includes a large number of options to configure the model geometry and multiple choices of turbulence and salinity models. Additionally, the model contains auxiliary components, including one that facilitates easy and fast sensitivity studies. iFlow has a modular structure, which makes it easy to include, exclude or change individual model components, called modules. Depending on the required functionality for the application at hand, modules can be selected to construct anything from very simple quasi-linear models to rather complex models involving multiple non-linear interactions. This way, the model complexity can be adjusted to the application. Once the modules containing the required functionality are selected, the underlying model structure automatically ensures modules are called in the correct order. The model inserts iteration loops over groups of modules that are mutually dependent. iFlow also ensures a smooth coupling of modules using analytical and numerical solution methods. This way the model combines the speed and accuracy of analytical solutions with the versatility of numerical solution methods. In this paper we present the modular structure, solution method and two examples of the use of iFlow. In the examples we present two case studies, of the Yangtze and Scheldt rivers, demonstrating how iFlow facilitates the analysis of model results, the understanding of the underlying physics and the testing of parameter sensitivity. A comparison of the model results to measurements shows a good qualitative agreement. iFlow is written in Python and is available as open source code under the LGPL license.

The Mechanism of Isotonic Water Transport

PubMed Central

Diamond, Jared M.

1964-01-01

The mechanism by which active solute transport causes water transport in isotonic proportions across epithelial membranes has been investigated. The principle of the experiments was to measure the osmolarity of the transported fluid when the osmolarity of the bathing solution was varied over an eightfold range by varying the NaCl concentration or by adding impermeant non-electrolytes. An in vitro preparation of rabbit gall bladder was suspended in moist oxygen without an outer bathing solution, and the pure transported fluid was collected as it dripped off the serosal surface. Under all conditions the transported fluid was found to approximate an NaCl solution isotonic to whatever bathing solution used. This finding means that the mechanism of isotonic water transport in the gall bladder is neither the double membrane effect nor co-diffusion but rather local osmosis. In other words, active NaCl transport maintains a locally high concentration of solute in some restricted space in the vicinity of the cell membrane, and water follows NaCl in response to this local osmotic gradient. An equation has been derived enabling one to calculate whether the passive water permeability of an organ is high enough to account for complete osmotic equilibration of actively transported solute. By application of this equation, water transport associated with active NaCl transport in the gall bladder cannot go through the channels for water flow under passive conditions, since these channels are grossly too impermeable. Furthermore, solute-linked water transport fails to produce the streaming potentials expected for water flow through these passive channels. Hence solute-linked water transport does not occur in the passive channels but instead involves special structures in the cell membrane, which remain to be identified. PMID:14212146

Reactive transport modeling in fractured rock: A state-of-the-science review

NASA Astrophysics Data System (ADS)

MacQuarrie, Kerry T. B.; Mayer, K. Ulrich

2005-10-01

The field of reactive transport modeling has expanded significantly in the past two decades and has assisted in resolving many issues in Earth Sciences. Numerical models allow for detailed examination of coupled transport and reactions, or more general investigation of controlling processes over geologic time scales. Reactive transport models serve to provide guidance in field data collection and, in particular, enable researchers to link modeling and hydrogeochemical studies. In this state-of-science review, the key objectives were to examine the applicability of reactive transport codes for exploring issues of redox stability to depths of several hundreds of meters in sparsely fractured crystalline rock, with a focus on the Canadian Shield setting. A conceptual model of oxygen ingress and redox buffering, within a Shield environment at time and space scales relevant to nuclear waste repository performance, is developed through a review of previous research. This conceptual model describes geochemical and biological processes and mechanisms materially important to understanding redox buffering capacity and radionuclide mobility in the far-field. Consistent with this model, reactive transport codes should ideally be capable of simulating the effects of changing recharge water compositions as a result of long-term climate change, and fracture-matrix interactions that may govern water-rock interaction. Other aspects influencing the suitability of reactive transport codes include the treatment of various reaction and transport time scales, the ability to apply equilibrium or kinetic formulations simultaneously, the need to capture feedback between water-rock interactions and porosity-permeability changes, and the representation of fractured crystalline rock environments as discrete fracture or dual continuum media. A review of modern multicomponent reactive transport codes indicates a relatively high-level of maturity. Within the Yucca Mountain nuclear waste disposal program, reactive transport codes of varying complexity have been applied to investigate the migration of radionuclides and the geochemical evolution of host rock around the planned disposal facility. Through appropriate near- and far-field application of dual continuum codes, this example demonstrates how reactive transport models have been applied to assist in constraining historic water infiltration rates, interpreting the sealing of flow paths due to mineral precipitation, and investigating post-closure geochemical monitoring strategies. Natural analogue modeling studies, although few in number, are also of key importance as they allow the comparison of model results with hydrogeochemical and paleohydrogeological data over geologic time scales.

Multigrid solution of internal flows using unstructured solution adaptive meshes

NASA Technical Reports Server (NTRS)

Smith, Wayne A.; Blake, Kenneth R.

1992-01-01

This is the final report of the NASA Lewis SBIR Phase 2 Contract Number NAS3-25785, Multigrid Solution of Internal Flows Using Unstructured Solution Adaptive Meshes. The objective of this project, as described in the Statement of Work, is to develop and deliver to NASA a general three-dimensional Navier-Stokes code using unstructured solution-adaptive meshes for accuracy and multigrid techniques for convergence acceleration. The code will primarily be applied, but not necessarily limited, to high speed internal flows in turbomachinery.

Evaluation of the transport matrix method for simulation of ocean biogeochemical tracers

NASA Astrophysics Data System (ADS)

Kvale, Karin F.; Khatiwala, Samar; Dietze, Heiner; Kriest, Iris; Oschlies, Andreas

2017-06-01

Conventional integration of Earth system and ocean models can accrue considerable computational expenses, particularly for marine biogeochemical applications. Offline numerical schemes in which only the biogeochemical tracers are time stepped and transported using a pre-computed circulation field can substantially reduce the burden and are thus an attractive alternative. One such scheme is the transport matrix method (TMM), which represents tracer transport as a sequence of sparse matrix-vector products that can be performed efficiently on distributed-memory computers. While the TMM has been used for a variety of geochemical and biogeochemical studies, to date the resulting solutions have not been comprehensively assessed against their online counterparts. Here, we present a detailed comparison of the two. It is based on simulations of the state-of-the-art biogeochemical sub-model embedded within the widely used coarse-resolution University of Victoria Earth System Climate Model (UVic ESCM). The default, non-linear advection scheme was first replaced with a linear, third-order upwind-biased advection scheme to satisfy the linearity requirement of the TMM. Transport matrices were extracted from an equilibrium run of the physical model and subsequently used to integrate the biogeochemical model offline to equilibrium. The identical biogeochemical model was also run online. Our simulations show that offline integration introduces some bias to biogeochemical quantities through the omission of the polar filtering used in UVic ESCM and in the offline application of time-dependent forcing fields, with high latitudes showing the largest differences with respect to the online model. Differences in other regions and in the seasonality of nutrients and phytoplankton distributions are found to be relatively minor, giving confidence that the TMM is a reliable tool for offline integration of complex biogeochemical models. Moreover, while UVic ESCM is a serial code, the TMM can be run on a parallel machine with no change to the underlying biogeochemical code, thus providing orders of magnitude speed-up over the online model.

Hypercube matrix computation task

NASA Technical Reports Server (NTRS)

Calalo, R.; Imbriale, W.; Liewer, P.; Lyons, J.; Manshadi, F.; Patterson, J.

1987-01-01

The Hypercube Matrix Computation (Year 1986-1987) task investigated the applicability of a parallel computing architecture to the solution of large scale electromagnetic scattering problems. Two existing electromagnetic scattering codes were selected for conversion to the Mark III Hypercube concurrent computing environment. They were selected so that the underlying numerical algorithms utilized would be different thereby providing a more thorough evaluation of the appropriateness of the parallel environment for these types of problems. The first code was a frequency domain method of moments solution, NEC-2, developed at Lawrence Livermore National Laboratory. The second code was a time domain finite difference solution of Maxwell's equations to solve for the scattered fields. Once the codes were implemented on the hypercube and verified to obtain correct solutions by comparing the results with those from sequential runs, several measures were used to evaluate the performance of the two codes. First, a comparison was provided of the problem size possible on the hypercube with 128 megabytes of memory for a 32-node configuration with that available in a typical sequential user environment of 4 to 8 megabytes. Then, the performance of the codes was anlyzed for the computational speedup attained by the parallel architecture.

Reactive transport codes for subsurface environmental simulation

DOE PAGES

Steefel, C. I.; Appelo, C. A. J.; Arora, B.; ...

2014-09-26

A general description of the mathematical and numerical formulations used in modern numerical reactive transport codes relevant for subsurface environmental simulations is presented. The formulations are followed by short descriptions of commonly used and available subsurface simulators that consider continuum representations of flow, transport, and reactions in porous media. These formulations are applicable to most of the subsurface environmental benchmark problems included in this special issue. The list of codes described briefly here includes PHREEQC, HPx, PHT3D, OpenGeoSys (OGS), HYTEC, ORCHESTRA, TOUGHREACT, eSTOMP, HYDROGEOCHEM, CrunchFlow, MIN3P, and PFLOTRAN. The descriptions include a high-level list of capabilities for each of themore » codes, along with a selective list of applications that highlight their capabilities and historical development.« less

A zonal method for modeling powered-lift aircraft flow fields

NASA Technical Reports Server (NTRS)

Roberts, D. W.

1989-01-01

A zonal method for modeling powered-lift aircraft flow fields is based on the coupling of a three-dimensional Navier-Stokes code to a potential flow code. By minimizing the extent of the viscous Navier-Stokes zones the zonal method can be a cost effective flow analysis tool. The successful coupling of the zonal solutions provides the viscous/inviscid interations that are necessary to achieve convergent and unique overall solutions. The feasibility of coupling the two vastly different codes is demonstrated. The interzone boundaries were overlapped to facilitate the passing of boundary condition information between the codes. Routines were developed to extract the normal velocity boundary conditions for the potential flow zone from the viscous zone solution. Similarly, the velocity vector direction along with the total conditions were obtained from the potential flow solution to provide boundary conditions for the Navier-Stokes solution. Studies were conducted to determine the influence of the overlap of the interzone boundaries and the convergence of the zonal solutions on the convergence of the overall solution. The zonal method was applied to a jet impingement problem to model the suckdown effect that results from the entrainment of the inviscid zone flow by the viscous zone jet. The resultant potential flow solution created a lower pressure on the base of the vehicle which produces the suckdown load. The feasibility of the zonal method was demonstrated. By enhancing the Navier-Stokes code for powered-lift flow fields and optimizing the convergence of the coupled analysis a practical flow analysis tool will result.

Theory and computation of general force balance in non-axisymmetric tokamak equilibria

NASA Astrophysics Data System (ADS)

Park, Jong-Kyu; Logan, Nikolas; Wang, Zhirui; Kim, Kimin; Boozer, Allen; Liu, Yueqiang; Menard, Jonathan

2014-10-01

Non-axisymmetric equilibria in tokamaks can be effectively described by linearized force balance. In addition to the conventional isotropic pressure force, there are three important components that can strongly contribute to the force balance; rotational, anisotropic tensor pressure, and externally given forces, i.e. ∇ --> p + ρv-> . ∇ --> v-> + ∇ --> . <-->Π + f-> = j-> × B-> , especially in, but not limited to, high β and rotating plasmas. Within the assumption of nested flux surfaces, Maxwell equations and energy minimization lead to the modified-generalized Newcomb equation for radial displacements with simple algebraic relations for perpendicular and parallel displacements, including an inhomogeneous term if any of the forces are not explicitly dependent on displacements. The general perturbed equilibrium code (GPEC) solves this force balance consistent with energy and torque given by external perturbations. Local and global behaviors of solutions will be discussed when ∇ --> . <-->Π is solved by the semi-analytic code PENT and will be compared with MARS-K. Any first-principle transport code calculating ∇ --> . <-->Π or f-> , e.g. POCA, can also be incorporated without demanding iterations. This work was supported by DOE Contract DE-AC02-09CH11466.

Reference Solutions for Benchmark Turbulent Flows in Three Dimensions

NASA Technical Reports Server (NTRS)

Diskin, Boris; Thomas, James L.; Pandya, Mohagna J.; Rumsey, Christopher L.

2016-01-01

A grid convergence study is performed to establish benchmark solutions for turbulent flows in three dimensions (3D) in support of turbulence-model verification campaign at the Turbulence Modeling Resource (TMR) website. The three benchmark cases are subsonic flows around a 3D bump and a hemisphere-cylinder configuration and a supersonic internal flow through a square duct. Reference solutions are computed for Reynolds Averaged Navier Stokes equations with the Spalart-Allmaras turbulence model using a linear eddy-viscosity model for the external flows and a nonlinear eddy-viscosity model based on a quadratic constitutive relation for the internal flow. The study involves three widely-used practical computational fluid dynamics codes developed and supported at NASA Langley Research Center: FUN3D, USM3D, and CFL3D. Reference steady-state solutions computed with these three codes on families of consistently refined grids are presented. Grid-to-grid and code-to-code variations are described in detail.

Magnetic flux and heat losses by diffusive, advective, and Nernst effects in magnetized liner inertial fusion-like plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Velikovich, A. L.; Giuliani, J. L.; Zalesak, S. T.

The magnetized liner inertial fusion (MagLIF) approach to inertial confinement fusion [Slutz et al., Phys. Plasmas 17, 056303 (2010); Cuneo et al., IEEE Trans. Plasma Sci. 40, 3222 (2012)] involves subsonic/isobaric compression and heating of a deuterium-tritium plasma with frozen-in magnetic flux by a heavy cylindrical liner. The losses of heat and magnetic flux from the plasma to the liner are thereby determined by plasma advection and gradient-driven transport processes, such as thermal conductivity, magnetic field diffusion, and thermomagnetic effects. Theoretical analysis based on obtaining exact self-similar solutions of the classical collisional Braginskii's plasma transport equations in one dimension demonstratesmore » that the heat loss from the hot compressed magnetized plasma to the cold liner is dominated by transverse heat conduction and advection, and the corresponding loss of magnetic flux is dominated by advection and the Nernst effect. For a large electron Hall parameter (ω{sub e}τ{sub e}≫1), the effective diffusion coefficients determining the losses of heat and magnetic flux to the liner wall are both shown to decrease with ω{sub e}τ{sub e} as does the Bohm diffusion coefficient cT/(16eB), which is commonly associated with low collisionality and two-dimensional transport. We demonstrate how this family of exact solutions can be used for verification of codes that model the MagLIF plasma dynamics.« less

Transcellular Pathways in Lymphatic Endothelial Cells Regulate Changes in Solute Transport by Fluid Stress.

PubMed

Triacca, Valentina; Güç, Esra; Kilarski, Witold W; Pisano, Marco; Swartz, Melody A

2017-04-28

The transport of interstitial fluid and solutes into lymphatic vessels is important for maintaining interstitial homeostasis and delivering antigens and soluble factors to the lymph node for immune surveillance. Transendothelial transport across lymphatic endothelial cells (LECs) is commonly considered to occur paracellularly, or between cell-cell junctions, and driven by local pressure and concentration gradients. However, emerging evidence suggests that LECs also play active roles in regulating interstitial solute balance and can scavenge and store antigens, raising the possibility that vesicular or transcellular pathways may be important in lymphatic solute transport. The aim of this study was to determine the relative importance of transcellular (vesicular) versus paracellular transport pathways by LECs and how mechanical stress (ie, fluid flow conditioning) alters either pathway. We demonstrate that transcellular transport mechanisms substantially contribute to lymphatic solute transport and that solute uptake occurs in both caveolae- and clathrin-coated vesicles. In vivo, intracelluar uptake of fluorescently labeled albumin after intradermal injection by LECs was similar to that of dermal dendritic cells. In vitro, we developed a method to differentially quantify intracellular solute uptake versus transendothelial transport by LECs. LECs preconditioned to 1 µm/s transmural flow demonstrated increased uptake and basal-to-apical solute transport, which could be substantially reversed by blocking dynamin-dependent vesicle formation. These findings reveal the importance of intracellular transport in steady-state lymph formation and suggest that LECs use transcellular mechanisms in parallel to the well-described paracellular route to modulate solute transport from the interstitium according to biomechanical cues. © 2017 American Heart Association, Inc.

Finite-difference simulation of transonic separated flow using a full potential boundary layer interaction approach

NASA Technical Reports Server (NTRS)

Van Dalsem, W. R.; Steger, J. L.

1983-01-01

A new, fast, direct-inverse, finite-difference boundary-layer code has been developed and coupled with a full-potential transonic airfoil analysis code via new inviscid-viscous interaction algorithms. The resulting code has been used to calculate transonic separated flows. The results are in good agreement with Navier-Stokes calculations and experimental data. Solutions are obtained in considerably less computer time than Navier-Stokes solutions of equal resolution. Because efficient inviscid and viscous algorithms are used, it is expected this code will also compare favorably with other codes of its type as they become available.

A dual-porosity model for simulating solute transport in oil shale

USGS Publications Warehouse

Glover, K.C.

1987-01-01

A model is described for simulating three-dimensional groundwater flow and solute transport in oil shale and associated geohydrologic units. The model treats oil shale as a dual-porosity medium by simulating flow and transport within fractures using the finite-element method. Diffusion of solute between fractures and the essentially static water of the shale matrix is simulated by including an analytical solution that acts as a source-sink term to the differential equation of solute transport. While knowledge of fracture orientation and spacing is needed to effectively use the model, it is not necessary to map the locations of individual fractures. The computer program listed in the report incorporates many of the features of previous dual-porosity models while retaining a practical approach to solving field problems. As a result the theory of solute transport is not extended in any appreciable way. The emphasis is on bringing together various aspects of solute transport theory in a manner that is particularly suited to the unusual groundwater flow and solute transport characteristics of oil shale systems. (Author 's abstract)

Dust-Particle Transport in Tokamak Edge Plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pigarov, A Y; Krasheninnikov, S I; Soboleva, T K

2005-09-12

Dust particulates in the size range of 10nm-100{micro}m are found in all fusion devices. Such dust can be generated during tokamak operation due to strong plasma/material-surface interactions. Some recent experiments and theoretical estimates indicate that dust particles can provide an important source of impurities in the tokamak plasma. Moreover, dust can be a serious threat to the safety of next-step fusion devices. In this paper, recent experimental observations on dust in fusion devices are reviewed. A physical model for dust transport simulation, and a newly developed code DUSTT, are discussed. The DUSTT code incorporates both dust dynamics due to comprehensivemore » dust-plasma interactions as well as the effects of dust heating, charging, and evaporation. The code tracks test dust particles in realistic plasma backgrounds as provided by edge-plasma transport codes. Results are presented for dust transport in current and next-step tokamaks. The effect of dust on divertor plasma profiles and core plasma contamination is examined.« less

MAG3D and its application to internal flowfield analysis

NASA Technical Reports Server (NTRS)

Lee, K. D.; Henderson, T. L.; Choo, Y. K.

1992-01-01

MAG3D (multiblock adaptive grid, 3D) is a 3D solution-adaptive grid generation code which redistributes grid points to improve the accuracy of a flow solution without increasing the number of grid points. The code is applicable to structured grids with a multiblock topology. It is independent of the original grid generator and the flow solver. The code uses the coordinates of an initial grid and the flow solution interpolated onto the new grid. MAG3D uses a numerical mapping and potential theory to modify the grid distribution based on properties of the flow solution on the initial grid. The adaptation technique is discussed, and the capability of MAG3D is demonstrated with several internal flow examples. Advantages of using solution-adaptive grids are also shown by comparing flow solutions on adaptive grids with those on initial grids.

A unified radiative magnetohydrodynamics code for lightning-like discharge simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Qiang, E-mail: cq0405@126.com; Chen, Bin, E-mail: emcchen@163.com; Xiong, Run

2014-03-15

A two-dimensional Eulerian finite difference code is developed for solving the non-ideal magnetohydrodynamic (MHD) equations including the effects of self-consistent magnetic field, thermal conduction, resistivity, gravity, and radiation transfer, which when combined with specified pulse current models and plasma equations of state, can be used as a unified lightning return stroke solver. The differential equations are written in the covariant form in the cylindrical geometry and kept in the conservative form which enables some high-accuracy shock capturing schemes to be equipped in the lightning channel configuration naturally. In this code, the 5-order weighted essentially non-oscillatory scheme combined with Lax-Friedrichs fluxmore » splitting method is introduced for computing the convection terms of the MHD equations. The 3-order total variation diminishing Runge-Kutta integral operator is also equipped to keep the time-space accuracy of consistency. The numerical algorithms for non-ideal terms, e.g., artificial viscosity, resistivity, and thermal conduction, are introduced in the code via operator splitting method. This code assumes the radiation is in local thermodynamic equilibrium with plasma components and the flux limited diffusion algorithm with grey opacities is implemented for computing the radiation transfer. The transport coefficients and equation of state in this code are obtained from detailed particle population distribution calculation, which makes the numerical model is self-consistent. This code is systematically validated via the Sedov blast solutions and then used for lightning return stroke simulations with the peak current being 20 kA, 30 kA, and 40 kA, respectively. The results show that this numerical model consistent with observations and previous numerical results. The population distribution evolution and energy conservation problems are also discussed.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stimpson, Shane; Collins, Benjamin; Kochunas, Brendan

The MPACT code, being developed collaboratively by the University of Michigan and Oak Ridge National Laboratory, is the primary deterministic neutron transport solver being deployed within the Virtual Environment for Reactor Applications (VERA) as part of the Consortium for Advanced Simulation of Light Water Reactors (CASL). In many applications of the MPACT code, transport-corrected scattering has proven to be an obstacle in terms of stability, and considerable effort has been made to try to resolve the convergence issues that arise from it. Most of the convergence problems seem related to the transport-corrected cross sections, particularly when used in the 2Dmore » method of characteristics (MOC) solver, which is the focus of this work. Here in this paper, the stability and performance of the 2-D MOC solver in MPACT is evaluated for two iteration schemes: Gauss-Seidel and Jacobi. With the Gauss-Seidel approach, as the MOC solver loops over groups, it uses the flux solution from the previous group to construct the inscatter source for the next group. Alternatively, the Jacobi approach uses only the fluxes from the previous outer iteration to determine the inscatter source for each group. Consequently for the Jacobi iteration, the loop over groups can be moved from the outermost loop$-$as is the case with the Gauss-Seidel sweeper$-$to the innermost loop, allowing for a substantial increase in efficiency by minimizing the overhead of retrieving segment, region, and surface index information from the ray tracing data. Several test problems are assessed: (1) Babcock & Wilcox 1810 Core I, (2) Dimple S01A-Sq, (3) VERA Progression Problem 5a, and (4) VERA Problem 2a. The Jacobi iteration exhibits better stability than Gauss-Seidel, allowing for converged solutions to be obtained over a much wider range of iteration control parameters. Additionally, the MOC solve time with the Jacobi approach is roughly 2.0-2.5× faster per sweep. While the performance and stability of the Jacobi iteration are substantially improved compared to the Gauss-Seidel iteration, it does yield a roughly 8$-$10% increase in the overall memory requirement.« less

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

NASA Astrophysics Data System (ADS)

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 model the hydrothermal flow system responsible for contact metamorphism of Utah's Alta Stock (Cook et al., AJS 1997). These codes were reprogrammed in Microsoft C# to take advantage of object oriented design and the capabilities of Microsoft's .NET framework. The package is available at no cost by e-mail request from the author.

Test of the 'glymphatic' hypothesis demonstrates diffusive and aquaporin-4-independent solute transport in rodent brain parenchyma.

PubMed

Smith, Alex J; Yao, Xiaoming; Dix, James A; Jin, Byung-Ju; Verkman, Alan S

2017-08-21

Transport of solutes through brain involves diffusion and convection. The importance of convective flow in the subarachnoid and paravascular spaces has long been recognized; a recently proposed 'glymphatic' clearance mechanism additionally suggests that aquaporin-4 (AQP4) water channels facilitate convective transport through brain parenchyma. Here, the major experimental underpinnings of the glymphatic mechanism were re-examined by measurements of solute movement in mouse brain following intracisternal or intraparenchymal solute injection. We found that: (i) transport of fluorescent dextrans in brain parenchyma depended on dextran size in a manner consistent with diffusive rather than convective transport; (ii) transport of dextrans in the parenchymal extracellular space, measured by 2-photon fluorescence recovery after photobleaching, was not affected just after cardiorespiratory arrest; and (iii) Aqp4 gene deletion did not impair transport of fluorescent solutes from sub-arachnoid space to brain in mice or rats. Our results do not support the proposed glymphatic mechanism of convective solute transport in brain parenchyma.

Test of the 'glymphatic' hypothesis demonstrates diffusive and aquaporin-4-independent solute transport in rodent brain parenchyma

PubMed Central

Yao, Xiaoming; Dix, James A; Jin, Byung-Ju

2017-01-01

Transport of solutes through brain involves diffusion and convection. The importance of convective flow in the subarachnoid and paravascular spaces has long been recognized; a recently proposed ‘glymphatic’ clearance mechanism additionally suggests that aquaporin-4 (AQP4) water channels facilitate convective transport through brain parenchyma. Here, the major experimental underpinnings of the glymphatic mechanism were re-examined by measurements of solute movement in mouse brain following intracisternal or intraparenchymal solute injection. We found that: (i) transport of fluorescent dextrans in brain parenchyma depended on dextran size in a manner consistent with diffusive rather than convective transport; (ii) transport of dextrans in the parenchymal extracellular space, measured by 2-photon fluorescence recovery after photobleaching, was not affected just after cardiorespiratory arrest; and (iii) Aqp4 gene deletion did not impair transport of fluorescent solutes from sub-arachnoid space to brain in mice or rats. Our results do not support the proposed glymphatic mechanism of convective solute transport in brain parenchyma. PMID:28826498

Solution of mixed convection heat transfer from isothermal in-line fins

NASA Technical Reports Server (NTRS)

Khalilollahi, Amir

1993-01-01

Transient and steady state combined natural and forced convective flows over two in-line finite thickness fins (louvers) in a vertical channel are numerically solved using two methods. The first method of solution is based on the 'Simple Arbitrary Lagrangian Eulerian' (SALE) technique which incorporates mainly two computational phases: (1) a Lagrangian phase in which the velocity field is updated by the effects of all forces, and (2) an Eulerian phase that executes all advective fluxes of mass, momentum and energy. The second method of solution uses the finite element code entitled FIDAP. In the first part, comparison of the results by FIDAP, SALE, and available experimental work were done and discussed for steady state forced convection over louvered fins. Good agreements were deduced between the three sets of results especially for the flow over a single fin. In the second part and in the absence of experimental literature, the numerical predictions were extended to the transient transports and to the opposing flow where pressure drop is reversed. Results are presented and discussed for heat transfer and pressure drop in assisting and opposing mixed convection flows.

Modeling of Flow, Transport and Controlled Sedimentation Phenomena during Mixing of Salt Solutions in Complex Porous Formations

NASA Astrophysics Data System (ADS)

Skouras, Eugene D.; Jaho, Sofia; Pavlakou, Efstathia I.; Sygouni, Varvara; Petsi, Anastasia; Paraskeva, Christakis A.

2015-04-01

The deposition of salts in porous media is a major engineering phenomenon encountered in a plethora of industrial and environmental applications where in some cases is desirable and in other not (oil production, geothermal systems, soil stabilization etc). Systematic approach of these problems requires knowledge of the key mechanisms of precipitating salts within the porous structures, in order to develop new methods to control the process. In this work, the development and the solution of spatiotemporally variable mass balances during salt solution mixing along specific pores were performed. Both analytical models and finite differences CFD models were applied for the study of flow and transport with simultaneous homogeneous and heterogeneous nucleation (by crystal growth on the surface of the pores) in simple geometries, while unstructured finite elements and meshless methods were developed and implemented for spatial discretization, reconstruction, and solution of transport equations and homogeneous / heterogeneous reactions in more complex geometries. At initial stages of this work, critical problem parameters were identified, such as the characteristics of the porosity, the number of dissolved components, etc. The parameters were then used for solving problems which correspond to available experimental data. For each combination of ions and materials, specific data and process characteristics were included: (a) crystal kinetics (nucleation, growth rates or reaction surface rates of crystals, critical suspension concentrations), (b) physico-chemical properties (bulk density, dimensions of generated crystals, ion diffusion coefficients in the solution), (c) operating parameters (macroscopic velocity, flow, or pressure gradient of the solution, ion concentration) (d) microfluidic data (geometry, flow area), (e) porosity data in Darcy description (initial porosity, specific surface area, tortuosity). During the modeling of flow and transport in three-dimensional pore network, the dependence of the mass balance in all major directions is taken into account, either as a three-dimensional network of pores with specific geometry (cylinders, sinusoidal cells), or as a homogeneous random medium (Darcy description). The distribution of the crystals along the porous medium was calculated in the case of selective crystallization on the walls, which is the predominant effect to date in the experiments. The crystals distribution was also examined in the case where crystallization was carried out in the bulk solution. Salts sedimentation experiments were simulated both in an unsaturated porous medium and in a medium saturated with an oil phase. A comparison of the simulation results with corresponding experimental results was performed in order to design improved selective sedimentation of salts systems in porous formations. ACKNOWLEDGMENTS This research was partially funded by the European Union (European Social Fund-ESF) and Greek National Funds through the Operational program "Education and Lifelong Learning" under the action Aristeia II (Code No 4420).

Study of no-man's land physics in the total-f gyrokinetic code XGC1

NASA Astrophysics Data System (ADS)

Ku, Seung Hoe; Chang, C. S.; Lang, J.

2014-10-01

While the ``transport shortfall'' in the ``no-man's land'' has been observed often in delta-f codes, it has not yet been observed in the global total-f gyrokinetic particle code XGC1. Since understanding the interaction between the edge and core transport appears to be a critical element in the prediction for ITER performance, understanding the no-man's land issue is an important physics research topic. Simulation results using the Holland case will be presented and the physics causing the shortfall phenomenon will be discussed. Nonlinear nonlocal interaction of turbulence, secondary flows, and transport appears to be the key.

Design of the DEMO Fusion Reactor Following ITER.

PubMed

Garabedian, Paul R; McFadden, Geoffrey B

2009-01-01

Runs of the NSTAB nonlinear stability code show there are many three-dimensional (3D) solutions of the advanced tokamak problem subject to axially symmetric boundary conditions. These numerical simulations based on mathematical equations in conservation form predict that the ITER international tokamak project will encounter persistent disruptions and edge localized mode (ELMS) crashes. Test particle runs of the TRAN transport code suggest that for quasineutrality to prevail in tokamaks a certain minimum level of 3D asymmetry of the magnetic spectrum is required which is comparable to that found in quasiaxially symmetric (QAS) stellarators. The computational theory suggests that a QAS stellarator with two field periods and proportions like those of ITER is a good candidate for a fusion reactor. For a demonstration reactor (DEMO) we seek an experiment that combines the best features of ITER, with a system of QAS coils providing external rotational transform, which is a measure of the poloidal field. We have discovered a configuration with unusually good quasisymmetry that is ideal for this task.

Design of the DEMO Fusion Reactor Following ITER

PubMed Central

Garabedian, Paul R.; McFadden, Geoffrey B.

2009-01-01

Runs of the NSTAB nonlinear stability code show there are many three-dimensional (3D) solutions of the advanced tokamak problem subject to axially symmetric boundary conditions. These numerical simulations based on mathematical equations in conservation form predict that the ITER international tokamak project will encounter persistent disruptions and edge localized mode (ELMS) crashes. Test particle runs of the TRAN transport code suggest that for quasineutrality to prevail in tokamaks a certain minimum level of 3D asymmetry of the magnetic spectrum is required which is comparable to that found in quasiaxially symmetric (QAS) stellarators. The computational theory suggests that a QAS stellarator with two field periods and proportions like those of ITER is a good candidate for a fusion reactor. For a demonstration reactor (DEMO) we seek an experiment that combines the best features of ITER, with a system of QAS coils providing external rotational transform, which is a measure of the poloidal field. We have discovered a configuration with unusually good quasisymmetry that is ideal for this task. PMID:27504224

Wind-US Code Contributions to the First AIAA Shock Boundary Layer Interaction Prediction Workshop

NASA Technical Reports Server (NTRS)

Georgiadis, Nicholas J.; Vyas, Manan A.; Yoder, Dennis A.

2013-01-01

This report discusses the computations of a set of shock wave/turbulent boundary layer interaction (SWTBLI) test cases using the Wind-US code, as part of the 2010 American Institute of Aeronautics and Astronautics (AIAA) shock/boundary layer interaction workshop. The experiments involve supersonic flows in wind tunnels with a shock generator that directs an oblique shock wave toward the boundary layer along one of the walls of the wind tunnel. The Wind-US calculations utilized structured grid computations performed in Reynolds-averaged Navier-Stokes mode. Four turbulence models were investigated: the Spalart-Allmaras one-equation model, the Menter Baseline and Shear Stress Transport k-omega two-equation models, and an explicit algebraic stress k-omega formulation. Effects of grid resolution and upwinding scheme were also considered. The results from the CFD calculations are compared to particle image velocimetry (PIV) data from the experiments. As expected, turbulence model effects dominated the accuracy of the solutions with upwinding scheme selection indicating minimal effects.

Development of Safety Analysis Code System of Beam Transport and Core for Accelerator Driven System

NASA Astrophysics Data System (ADS)

Aizawa, Naoto; Iwasaki, Tomohiko

2014-06-01

Safety analysis code system of beam transport and core for accelerator driven system (ADS) is developed for the analyses of beam transients such as the change of the shape and position of incident beam. The code system consists of the beam transport analysis part and the core analysis part. TRACE 3-D is employed in the beam transport analysis part, and the shape and incident position of beam at the target are calculated. In the core analysis part, the neutronics, thermo-hydraulics and cladding failure analyses are performed by the use of ADS dynamic calculation code ADSE on the basis of the external source database calculated by PHITS and the cross section database calculated by SRAC, and the programs of the cladding failure analysis for thermoelastic and creep. By the use of the code system, beam transient analyses are performed for the ADS proposed by Japan Atomic Energy Agency. As a result, the rapid increase of the cladding temperature happens and the plastic deformation is caused in several seconds. In addition, the cladding is evaluated to be failed by creep within a hundred seconds. These results have shown that the beam transients have caused a cladding failure.

Assessment of intrinsic bioremediation of gasoline contamination in the shallow aquifer, Laurel Bay Exchange, Marine Corps Air Station Beaufort, South Carolina

USGS Publications Warehouse

Landmeyer, J.E.; Chapelle, Francis; Bradley, P.M.

1996-01-01

Laboratory, field, and digital solute-transport- modeling studies demonstrate that microorganisms indigenous to the shallow ground-water system at Laurel Bay Exchange, Marine Corps Air Station Beaufort, South Carolina, can degrade petroleum hydrocarbons in gasoline released at the site. Microorganisms in aquifer sediments incubated in the laboratory under aerobic and anaerobic conditions mineralized radiolabeled carbon 14-toluene to 14C-carbon dioxide with first-order rate constants of Kbio = -0.640 per day and Kbio = -0.003 per day, respectively. Digital solute- transport modeling using the numerical code SUTRA revealed that anaerobic biodegradation of benzene occurs with a first-order rate constant near Kbio = -0.00025 per day. Sandy aquifer material beneath Laurel Bay Exchange is characterized by relatively high hydraulic conductivities (Kaq = 8.9 to 17.3 feet per day), average ground-water flow rate of about 60 feet per year, and a relatively uniform hydraulic gradient of 0.004 feet per foot. The sandy aquifer material also has low adsorptive potentials for toluene and benzene (both about Kad = 2.0 x 10-9 cubic feet per milligram), because of the lack of natural organic matter in the aquifer. The combination of this ground-water-flow rate and absence of significant adsorptive capacity in the aquifer permits toluene and benzene concentrations to be detected downgradient from the source area in monitoring wells, even though biodegradation of these compounds has been demonstrated. Solute-transport simulations, however, indicate that toluene and benzene will not reach the Broad River, the nearest point of contact with wildlife or human populations, about 3,600 feet west of the site boundary. These simulations also show that contamination will not be transported to the nearest Marine Corps property line about 2,400 feet south of the site. This is primarily because the source of contaminants has essentially been removed, and the low adsorptive capacity of the aquifer sediments has prevented the occurrence of an adsorbed, continuous source of petroleum hydrocarbons. Therefore, digital simulations of toluene and benzene transport at Laurel Bay Exchange indicate that intrinsic bioremediation could be a successful remediation alternative for prohibiting transport of dissolved toluene and benzene to the Broad River.

Verification of a Viscous Computational Aeroacoustics Code using External Verification Analysis

NASA Technical Reports Server (NTRS)

Ingraham, Daniel; Hixon, Ray

2015-01-01

The External Verification Analysis approach to code verification is extended to solve the three-dimensional Navier-Stokes equations with constant properties, and is used to verify a high-order computational aeroacoustics (CAA) code. After a brief review of the relevant literature, the details of the EVA approach are presented and compared to the similar Method of Manufactured Solutions (MMS). Pseudocode representations of EVA's algorithms are included, along with the recurrence relations needed to construct the EVA solution. The code verification results show that EVA was able to convincingly verify a high-order, viscous CAA code without the addition of MMS-style source terms, or any other modifications to the code.

Verification of a Viscous Computational Aeroacoustics Code Using External Verification Analysis

NASA Technical Reports Server (NTRS)

Ingraham, Daniel; Hixon, Ray

2015-01-01

The External Verification Analysis approach to code verification is extended to solve the three-dimensional Navier-Stokes equations with constant properties, and is used to verify a high-order computational aeroacoustics (CAA) code. After a brief review of the relevant literature, the details of the EVA approach are presented and compared to the similar Method of Manufactured Solutions (MMS). Pseudocode representations of EVA's algorithms are included, along with the recurrence relations needed to construct the EVA solution. The code verification results show that EVA was able to convincingly verify a high-order, viscous CAA code without the addition of MMS-style source terms, or any other modifications to the code.

Use of FEC coding to improve statistical multiplexing performance for video transport over ATM networks

NASA Astrophysics Data System (ADS)

Kurceren, Ragip; Modestino, James W.

1998-12-01

The use of forward error-control (FEC) coding, possibly in conjunction with ARQ techniques, has emerged as a promising approach for video transport over ATM networks for cell-loss recovery and/or bit error correction, such as might be required for wireless links. Although FEC provides cell-loss recovery capabilities it also introduces transmission overhead which can possibly cause additional cell losses. A methodology is described to maximize the number of video sources multiplexed at a given quality of service (QoS), measured in terms of decoded cell loss probability, using interlaced FEC codes. The transport channel is modelled as a block interference channel (BIC) and the multiplexer as single server, deterministic service, finite buffer supporting N users. Based upon an information-theoretic characterization of the BIC and large deviation bounds on the buffer overflow probability, the described methodology provides theoretically achievable upper limits on the number of sources multiplexed. Performance of specific coding techniques using interlaced nonbinary Reed-Solomon (RS) codes and binary rate-compatible punctured convolutional (RCPC) codes is illustrated.

Clean Energy in City Codes: A Baseline Analysis of Municipal Codification across the United States

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cook, Jeffrey J.; Aznar, Alexandra; Dane, Alexander

Municipal governments in the United States are well positioned to influence clean energy (energy efficiency and alternative energy) and transportation technology and strategy implementation within their jurisdictions through planning, programs, and codification. Municipal governments are leveraging planning processes and programs to shape their energy futures. There is limited understanding in the literature related to codification, the primary way that municipal governments enact enforceable policies. The authors fill the gap in the literature by documenting the status of municipal codification of clean energy and transportation across the United States. More directly, we leverage online databases of municipal codes to develop nationalmore » and state-specific representative samples of municipal governments by population size. Our analysis finds that municipal governments with the authority to set residential building energy codes within their jurisdictions frequently do so. In some cases, communities set codes higher than their respective state governments. Examination of codes across the nation indicates that municipal governments are employing their code as a policy mechanism to address clean energy and transportation.« less

The “2T” ion-electron semi-analytic shock solution for code-comparison with xRAGE: A report for FY16

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ferguson, Jim Michael

2016-10-05

This report documents an effort to generate the semi-analytic "2T" ion-electron shock solution developed in the paper by Masser, Wohlbier, and Lowrie, and the initial attempts to understand how to use this solution as a code-verification tool for one of LANL's ASC codes, xRAGE. Most of the work so far has gone into generating the semi-analytic solution. Considerable effort will go into understanding how to write the xRAGE input deck that both matches the boundary conditions imposed by the solution, and also what physics models must be implemented within the semi-analytic solution itself to match the model assumptions inherit withinmore » xRAGE. Therefore, most of this report focuses on deriving the equations for the semi-analytic 1D-planar time-independent "2T" ion-electron shock solution, and is written in a style that is intended to provide clear guidance for anyone writing their own solver.« less

Evaluation of Linear, Inviscid, Viscous, and Reduced-Order Modeling Aeroelastic Solutions of the AGARD 445.6 Wing Using Root Locus Analysis

NASA Technical Reports Server (NTRS)

Silva, Walter A.; Perry, Boyd III; Chwalowski, Pawel

2014-01-01

Reduced-order modeling (ROM) methods are applied to the CFD-based aeroelastic analysis of the AGARD 445.6 wing in order to gain insight regarding well-known discrepancies between the aeroelastic analyses and the experimental results. The results presented include aeroelastic solutions using the inviscid CAP-TSD code and the FUN3D code (Euler and Navier-Stokes). Full CFD aeroelastic solutions and ROM aeroelastic solutions, computed at several Mach numbers, are presented in the form of root locus plots in order to better reveal the aeroelastic root migrations with increasing dynamic pressure. Important conclusions are drawn from these results including the ability of the linear CAP-TSD code to accurately predict the entire experimental flutter boundary (repeat of analyses performed in the 1980's), that the Euler solutions at supersonic conditions indicate that the third mode is always unstable, and that the FUN3D Navier-Stokes solutions stabilize the unstable third mode seen in the Euler solutions.

Modeling flow and solute transport in irrigation furrows

USDA-ARS?s Scientific Manuscript database

This paper presents an internally coupled flow and solute transport model for free-draining irrigation furrows. Furrow hydraulics is simulated with a numerical zero-inertia model and solute transport is computed with a model based on a numerical solution of the cross-section averaged advection-dispe...

Boltzmann Transport Code Update: Parallelization and Integrated Design Updates

NASA Technical Reports Server (NTRS)

Heinbockel, J. H.; Nealy, J. E.; DeAngelis, G.; Feldman, G. A.; Chokshi, S.

2003-01-01

The on going efforts at developing a web site for radiation analysis is expected to result in an increased usage of the High Charge and Energy Transport Code HZETRN. It would be nice to be able to do the requested calculations quickly and efficiently. Therefore the question arose, "Could the implementation of parallel processing speed up the calculations required?" To answer this question two modifications of the HZETRN computer code were created. The first modification selected the shield material of Al(2219) , then polyethylene and then Al(2219). The modified Fortran code was labeled 1SSTRN.F. The second modification considered the shield material of CO2 and Martian regolith. This modified Fortran code was labeled MARSTRN.F.

Application of FUN3D and CFL3D to the Third Workshop on CFD Uncertainty Analysis

NASA Technical Reports Server (NTRS)

Rumsey, C. L.; Thomas, J. L.

2008-01-01

Two Reynolds-averaged Navier-Stokes computer codes - one unstructured and one structured - are applied to two workshop cases (for the 3rd Workshop on CFD Uncertainty Analysis, held at Instituto Superior Tecnico, Lisbon, in October 2008) for the purpose of uncertainty analysis. The Spalart-Allmaras turbulence model is employed. The first case uses the method of manufactured solution and is intended as a verification case. In other words, the CFD solution is expected to approach the exact solution as the grid is refined. The second case is a validation case (comparison against experiment), for which modeling errors inherent in the turbulence model and errors/uncertainty in the experiment may prevent close agreement. The results from the two computer codes are also compared. This exercise verifies that the codes are consistent both with the exact manufactured solution and with each other. In terms of order property, both codes behave as expected for the manufactured solution. For the backward facing step, CFD uncertainty on the finest grid is computed and is generally very low for both codes (whose results are nearly identical). Agreement with experiment is good at some locations for particular variables, but there are also many areas where the CFD and experimental uncertainties do not overlap.

ecode - Electron Transport Algorithm Testing v. 1.0

DOE Office of Scientific and Technical Information (OSTI.GOV)

Franke, Brian C.; Olson, Aaron J.; Bruss, Donald Eugene

2016-10-05

ecode is a Monte Carlo code used for testing algorithms related to electron transport. The code can read basic physics parameters, such as energy-dependent stopping powers and screening parameters. The code permits simple planar geometries of slabs or cubes. Parallelization consists of domain replication, with work distributed at the start of the calculation and statistical results gathered at the end of the calculation. Some basic routines (such as input parsing, random number generation, and statistics processing) are shared with the Integrated Tiger Series codes. A variety of algorithms for uncertainty propagation are incorporated based on the stochastic collocation and stochasticmore » Galerkin methods. These permit uncertainty only in the total and angular scattering cross sections. The code contains algorithms for simulating stochastic mixtures of two materials. The physics is approximate, ranging from mono-energetic and isotropic scattering to screened Rutherford angular scattering and Rutherford energy-loss scattering (simple electron transport models). No production of secondary particles is implemented, and no photon physics is implemented.« less

MCNP capabilities for nuclear well logging calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Forster, R.A.; Little, R.C.; Briesmeister, J.F.

The Los Alamos Radiation Transport Code System (LARTCS) consists of state-of-the-art Monte Carlo and discrete ordinates transport codes and data libraries. This paper discusses how the general-purpose continuous-energy Monte Carlo code MCNP ({und M}onte {und C}arlo {und n}eutron {und p}hoton), part of the LARTCS, provides a computational predictive capability for many applications of interest to the nuclear well logging community. The generalized three-dimensional geometry of MCNP is well suited for borehole-tool models. SABRINA, another component of the LARTCS, is a graphics code that can be used to interactively create a complex MCNP geometry. Users can define many source and tallymore » characteristics with standard MCNP features. The time-dependent capability of the code is essential when modeling pulsed sources. Problems with neutrons, photons, and electrons as either single particle or coupled particles can be calculated with MCNP. The physics of neutron and photon transport and interactions is modeled in detail using the latest available cross-section data.« less

Differential Cross Section Kinematics for 3-dimensional Transport Codes

NASA Technical Reports Server (NTRS)

Norbury, John W.; Dick, Frank

2008-01-01

In support of the development of 3-dimensional transport codes, this paper derives the relevant relativistic particle kinematic theory. Formulas are given for invariant, spectral and angular distributions in both the lab (spacecraft) and center of momentum frames, for collisions involving 2, 3 and n - body final states.

49 CFR 171.25 - Additional requirements for the use of the IMDG Code.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 176 of this subchapter. (3) Packages containing primary lithium batteries and cells that are transported in accordance with Special Provision 188 of the IMDG Code must be marked “PRIMARY LITHIUM BATTERIES—FORBIDDEN FOR TRANSPORT ABOARD PASSENGER AIRCRAFT” or “LITHIUM METAL BATTERIES—FORBIDDEN FOR...

49 CFR 171.25 - Additional requirements for the use of the IMDG Code.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 176 of this subchapter. (3) Packages containing primary lithium batteries and cells that are transported in accordance with Special Provision 188 of the IMDG Code must be marked “PRIMARY LITHIUM BATTERIES—FORBIDDEN FOR TRANSPORT ABOARD PASSENGER AIRCRAFT” or “LITHIUM METAL BATTERIES—FORBIDDEN FOR...

49 CFR 171.25 - Additional requirements for the use of the IMDG Code.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 176 of this subchapter. (3) Packages containing primary lithium batteries and cells that are transported in accordance with Special Provision 188 of the IMDG Code must be marked “PRIMARY LITHIUM BATTERIES—FORBIDDEN FOR TRANSPORT ABOARD PASSENGER AIRCRAFT” or “LITHIUM METAL BATTERIES—FORBIDDEN FOR...

MeshVoro: A Three-Dimensional Voronoi Mesh Building Tool for the TOUGH Family of Codes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Freeman, C. M.; Boyle, K. L.; Reagan, M.

2013-09-30

Few tools exist for creating and visualizing complex three-dimensional simulation meshes, and these have limitations that restrict their application to particular geometries and circumstances. Mesh generation needs to trend toward ever more general applications. To that end, we have developed MeshVoro, a tool that is based on the Voro (Rycroft 2009) library and is capable of generating complex threedimensional Voronoi tessellation-based (unstructured) meshes for the solution of problems of flow and transport in subsurface geologic media that are addressed by the TOUGH (Pruess et al. 1999) family of codes. MeshVoro, which includes built-in data visualization routines, is a particularly usefulmore » tool because it extends the applicability of the TOUGH family of codes by enabling the scientifically robust and relatively easy discretization of systems with challenging 3D geometries. We describe several applications of MeshVoro. We illustrate the ability of the tool to straightforwardly transform a complex geological grid into a simulation mesh that conforms to the specifications of the TOUGH family of codes. We demonstrate how MeshVoro can describe complex system geometries with a relatively small number of grid blocks, and we construct meshes for geometries that would have been practically intractable with a standard Cartesian grid approach. We also discuss the limitations and appropriate applications of this new technology.« less

Effects of turbulent hyporheic mixing on reach-scale solute transport

NASA Astrophysics Data System (ADS)

Roche, K. R.; Li, A.; Packman, A. I.

2017-12-01

Turbulence rapidly mixes solutes and fine particles into coarse-grained streambeds. Both hyporheic exchange rates and spatial variability of hyporheic mixing are known to be controlled by turbulence, but it is unclear how turbulent mixing influences mass transport at the scale of stream reaches. We used a process-based particle-tracking model to simulate local- and reach-scale solute transport for a coarse-bed stream. Two vertical mixing profiles, one with a smooth transition from in-stream to hyporheic transport conditions and a second with enhanced turbulent transport at the sediment-water interface, were fit to steady-state subsurface concentration profiles observed in laboratory experiments. The mixing profile with enhanced interfacial transport better matched the observed concentration profiles and overall mass retention in the streambed. The best-fit mixing profiles were then used to simulate upscaled solute transport in a stream. Enhanced mixing coupled in-stream and hyporheic solute transport, causing solutes exchanged into the shallow subsurface to have travel times similar to the water column. This extended the exponential region of the in-stream solute breakthrough curve, and delayed the onset of the heavy power-law tailing induced by deeper and slower hyporheic porewater velocities. Slopes of observed power-law tails were greater than those predicted from stochastic transport theory, and also changed in time. In addition, rapid hyporheic transport velocities truncated the hyporheic residence time distribution by causing mass to exit the stream reach via subsurface advection, yielding strong exponential tempering in the in-stream breakthrough curves at the timescale of advective hyporheic transport through the reach. These results show that strong turbulent mixing across the sediment-water interface violates the conventional separation of surface and subsurface flows used in current models for solute transport in rivers. Instead, the full distribution of flow and mixing over the surface-subsurface continuum must be explicitly considered to properly interpret solute transport in coarse-bed streams.

Coupling HYDRUS-1D Code with PA-DDS Algorithms for Inverse Calibration

NASA Astrophysics Data System (ADS)

Wang, Xiang; Asadzadeh, Masoud; Holländer, Hartmut

2017-04-01

Numerical modelling requires calibration to predict future stages. A standard method for calibration is inverse calibration where generally multi-objective optimization algorithms are used to find a solution, e.g. to find an optimal solution of the van Genuchten Mualem (VGM) parameters to predict water fluxes in the vadose zone. We coupled HYDRUS-1D with PA-DDS to add a new, robust function for inverse calibration to the model. The PA-DDS method is a recently developed multi-objective optimization algorithm, which combines Dynamically Dimensioned Search (DDS) and Pareto Archived Evolution Strategy (PAES). The results were compared to a standard method (Marquardt-Levenberg method) implemented in HYDRUS-1D. Calibration performance is evaluated using observed and simulated soil moisture at two soil layers in the Southern Abbotsford, British Columbia, Canada in the terms of the root mean squared error (RMSE) and the Nash-Sutcliffe Efficiency (NSE). Results showed low RMSE values of 0.014 and 0.017 and strong NSE values of 0.961 and 0.939. Compared to the results by the Marquardt-Levenberg method, we received better calibration results for deeper located soil sensors. However, VGM parameters were similar comparing with previous studies. Both methods are equally computational efficient. We claim that a direct implementation of PA-DDS into HYDRUS-1D should reduce the computation effort further. This, the PA-DDS method is efficient for calibrating recharge for complex vadose zone modelling with multiple soil layer and can be a potential tool for calibration of heat and solute transport. Future work should focus on the effectiveness of PA-DDS for calibrating more complex versions of the model with complex vadose zone settings, with more soil layers, and against measured heat and solute transport. Keywords: Recharge, Calibration, HYDRUS-1D, Multi-objective Optimization

The Proteus Navier-Stokes code

NASA Technical Reports Server (NTRS)

Towne, Charles E.; Bui, Trong T.; Cavicchi, Richard H.; Conley, Julianne M.; Molls, Frank B.; Schwab, John R.

1992-01-01

An effort is currently underway at NASA Lewis to develop two- and three-dimensional Navier-Stokes codes, called Proteus, for aerospace propulsion applications. The emphasis in the development of Proteus is not algorithm development or research on numerical methods, but rather the development of the code itself. The objective is to develop codes that are user-oriented, easily-modified, and well-documented. Well-proven, state-of-the-art solution algorithms are being used. Code readability, documentation (both internal and external), and validation are being emphasized. This paper is a status report on the Proteus development effort. The analysis and solution procedure are described briefly, and the various features in the code are summarized. The results from some of the validation cases that have been run are presented for both the two- and three-dimensional codes.

Acta Aeronautica et Astronautica Sinica.

DTIC Science & Technology

1982-07-28

AERONAUTICA ET ASTRONAUTICA SINICA - <,y English pages: 212 _r Source : Acta Aeronautica et Astronautica Sinica, Vol. 2, Nr. 4, December 1981 , . pp. 1...ADVOCATED OR IMPLIED ARE THOSE OP THE SOURCE ANDDO NOT NECESSARILY REFLECT THE POSITION TRANSLATION DIVISION OR OPINION OF THE FOREnjN TECHNOLOGY DI...axial) solution section code 2 Lower Corner Symbols i code of sectional cylindrical coordinate system j,k radial and peripheral codes of solution

Peritoneal fluid transport in CAPD patients with different transport rates of small solutes.

PubMed

Sobiecka, Danuta; Waniewski, Jacek; Weryński, Andrzej; Lindholm, Bengt

2004-01-01

Continuous ambulatory peritoneal dialysis (CAPD) patients with high peritoneal solute transport rate often have inadequate peritoneal fluid transport. It is not known whether this inadequate fluid transport is due solely to a too rapid fall of osmotic pressure, or if the decreased effectiveness of fluid transport is also a contributing factor. To analyze fluid transport parameters and the effectiveness of dialysis fluid osmotic pressure in the induction of fluid flow in CAPD patients with different small solute transport rates. 44 CAPD patients were placed in low (n = 6), low-average (n = 13), high-average (n = 19), and high (n = 6) transport groups according to a modified peritoneal equilibration test (PET). The study involved a 6-hour peritoneal dialysis dwell with 2 L 3.86% glucose dialysis fluid for each patient. Radioisotopically labeled serum albumin was added as a volume marker.The fluid transport parameters (osmotic conductance and fluid absorption rate) were estimated using three mathematical models of fluid transport: (1) Pyle model (model P), which describes ultrafiltration rate as an exponential function of time; (2) model OS, which is based on the linear relationship of ultrafiltration rate and overall osmolality gradient between dialysis fluid and blood; and (3) model G, which is based on the linear relationship between ultrafiltration rate and glucose concentration gradient between dialysis fluid and blood. Diffusive mass transport coefficients (K(BD)) for glucose, urea, creatinine, potassium, and sodium were estimated using the modified Babb-Randerson-Farrell model. The high transport group had significantly lower dialysate volume and glucose and osmolality gradients between dialysate and blood, but significantly higher K(BD) for small solutes compared with the other transport groups. Osmotic conductance, fluid absorption rate, and initial ultrafiltration rate did not differ among the transport groups for model OS and model P. Model G yielded unrealistic values of fluid transport parameters that differed from those estimated by models OS and P. The K(BD) values for small solutes were significantly different among the groups, and did not correlate with fluid transport parameters for model OS. The difference in fluid transport between the different transport groups was due only to the differences in the rate of disappearance of the overall osmotic pressure of the dialysate, which was a combined result of the transport rate of glucose and other small solutes. Although the glucose gradient is the major factor influencing ultrafiltration rate, other solutes, such as urea, are also of importance. The counteractive effect of plasma small solutes on transcapillary ultrafiltration was found to be especially notable in low transport patients. Thus, glucose gradient alone should not be considered the only force that shapes the ultrafiltration profile during peritoneal dialysis. We did not find any correlations between diffusive mass transport coefficients for small solutes and fluid transport parameters such as osmotic conductance or fluid and volume marker absorption. We may thus conclude that the pathway(s) for fluid transport appears to be partly independent from the pathway(s) for small solute transport, which supports the hypothesis of different pore types for fluid and solute transport.

Impact of the plasma response in three-dimensional edge plasma transport modelling for RMP ELM control scenarios at ITER

NASA Astrophysics Data System (ADS)

Schmitz, Oliver

2014-10-01

The constrains used in magneto-hydrodynamic (MHD) modeling of the plasma response to external resonant magnetic perturbation (RMP) fields have a profound impact on the three-dimensional (3-D) shape of the plasma boundary induced by RMP fields. In this contribution, the consequences of the plasma response on the actual 3D boundary structure and transport during RMP application at ITER are investigated. The 3D fluid plasma and kinetic neutral transport code EMC3-Eirene is used for edge transport modeling. Plasma response modeling is conducted with the M3D-C1 code using a single fluid, non-linear and a two fluid, linear MHD constrain. These approaches are compared to results with an ideal MHD like plasma response. A 3D plasma boundary is formed for all cases consisting of magnetic finger structures at the X-point intersecting the divertor surface in a helical footprint pattern. The width of the helical footprint pattern is largely reduced compared to vacuum magnetic fields when using the ideal MHD like screening model. This yields increasing peak heat fluxes in contrast to a beneficial heat flux spreading seen with vacuum fields. The particle pump out as well as loss of thermal energy is reduced by a factor of two compared to vacuum fields. In contrast, the impact of the plasma response obtained from both MHD constrains in M3D-C1 is nearly negligible at the plasma boundary and only a small modification of the magnetic footprint topology is detected. Accordingly, heat and particle fluxes on the target plates as well as the edge transport characteristics are comparable to the vacuum solution. This span of modeling results with different plasma response models highlights the importance of thoroughly validating both, plasma response and 3D edge transport models for a robust extrapolation towards ITER. Supported by ITER Grant IO/CT/11/4300000497 and F4E Grant GRT-055 (PMS-PE) and by Start-Up Funds of the University of Wisconsin - Madison.

MODA: a new algorithm to compute optical depths in multidimensional hydrodynamic simulations

NASA Astrophysics Data System (ADS)

Perego, Albino; Gafton, Emanuel; Cabezón, Rubén; Rosswog, Stephan; Liebendörfer, Matthias

2014-08-01

Aims: We introduce the multidimensional optical depth algorithm (MODA) for the calculation of optical depths in approximate multidimensional radiative transport schemes, equally applicable to neutrinos and photons. Motivated by (but not limited to) neutrino transport in three-dimensional simulations of core-collapse supernovae and neutron star mergers, our method makes no assumptions about the geometry of the matter distribution, apart from expecting optically transparent boundaries. Methods: Based on local information about opacities, the algorithm figures out an escape route that tends to minimize the optical depth without assuming any predefined paths for radiation. Its adaptivity makes it suitable for a variety of astrophysical settings with complicated geometry (e.g., core-collapse supernovae, compact binary mergers, tidal disruptions, star formation, etc.). We implement the MODA algorithm into both a Eulerian hydrodynamics code with a fixed, uniform grid and into an SPH code where we use a tree structure that is otherwise used for searching neighbors and calculating gravity. Results: In a series of numerical experiments, we compare the MODA results with analytically known solutions. We also use snapshots from actual 3D simulations and compare the results of MODA with those obtained with other methods, such as the global and local ray-by-ray method. It turns out that MODA achieves excellent accuracy at a moderate computational cost. In appendix we also discuss implementation details and parallelization strategies.

Microarray-based transcriptome of Listeria monocytogenes adapted to sublethal concentrations of acetic acid, lactic acid, and hydrochloric acid.

PubMed

Tessema, Girum Tadesse; Møretrø, Trond; Snipen, Lars; Heir, Even; Holck, Askild; Naterstad, Kristine; Axelsson, Lars

2012-09-01

Listeria monocytogenes , an important foodborne pathogen, commonly encounters organic acids in food-related environments. The transcriptome of L. monocytogenes L502 was analyzed after adaptation to pH 5 in the presence of acetic acid, lactic acid, or hydrochloric acid (HCl) at 25 °C, representing a condition encountered in mildly acidic ready-to-eat food kept at room temperature. The acid-treated cells were compared with a reference culture with a pH of 6.7 at the time of RNA harvesting. The number of genes and magnitude of transcriptional responses were higher for the organic acids than for HCl. Protein coding genes described for low pH stress, energy transport and metabolism, virulence determinates, and acid tolerance response were commonly regulated in the 3 acid-stressed cultures. Interestingly, the transcriptional levels of histidine and cell wall biosynthetic operons were upregulated, indicating possible universal response against low pH stress in L. monocytogenes. The opuCABCD operon, coding proteins for compatible solutes transport, and the transcriptional regulator sigL were significantly induced in the organic acids, strongly suggesting key roles during organic acid stress. The present study revealed the complex transcriptional responses of L. monocytogenes towards food-related acidulants and opens the roadmap for more specific and in-depth future studies.

Analytical solutions of the one-dimensional advection-dispersion solute transport equation subject to time-dependent boundary conditions

USDA-ARS?s Scientific Manuscript database

Analytical solutions of the advection-dispersion solute transport equation remain useful for a large number of applications in science and engineering. In this paper we extend the Duhamel theorem, originally established for diffusion type problems, to the case of advective-dispersive transport subj...

Integrated modelling framework for short pulse high energy density physics experiments

NASA Astrophysics Data System (ADS)

Sircombe, N. J.; Hughes, S. J.; Ramsay, M. G.

2016-03-01

Modelling experimental campaigns on the Orion laser at AWE, and developing a viable point-design for fast ignition (FI), calls for a multi-scale approach; a complete description of the problem would require an extensive range of physics which cannot realistically be included in a single code. For modelling the laser-plasma interaction (LPI) we need a fine mesh which can capture the dispersion of electromagnetic waves, and a kinetic model for each plasma species. In the dense material of the bulk target, away from the LPI region, collisional physics dominates. The transport of hot particles generated by the action of the laser is dependent on their slowing and stopping in the dense material and their need to draw a return current. These effects will heat the target, which in turn influences transport. On longer timescales, the hydrodynamic response of the target will begin to play a role as the pressure generated from isochoric heating begins to take effect. Recent effort at AWE [1] has focussed on the development of an integrated code suite based on: the particle in cell code EPOCH, to model LPI; the Monte-Carlo electron transport code THOR, to model the onward transport of hot electrons; and the radiation hydrodynamics code CORVUS, to model the hydrodynamic response of the target. We outline the methodology adopted, elucidate on the advantages of a robustly integrated code suite compared to a single code approach, demonstrate the integrated code suite's application to modelling the heating of buried layers on Orion, and assess the potential of such experiments for the validation of modelling capability in advance of more ambitious HEDP experiments, as a step towards a predictive modelling capability for FI.

Dendritic Growth with Fluid Flow for Pure Materials

NASA Technical Reports Server (NTRS)

Jeong, Jun-Ho; Dantzig, Jonathan A.; Goldenfeld, Nigel

2003-01-01

We have developed a three-dimensional, adaptive, parallel finite element code to examine solidification of pure materials under conditions of forced flow. We have examined the effect of undercooling, surface tension anisotropy and imposed flow velocity on the growth. The flow significantly alters the growth process, producing dendrites that grow faster, and with greater tip curvature, into the flow. The selection constant decreases slightly with flow velocity in our calculations. The results of the calculations agree well with the transport solution of Saville and Beaghton at high undercooling and high anisotropy. At low undercooling, significant deviations are found. We attribute this difference to the influence of other parts of the dendrite, removed from the tip, on the flow field.

Development of a real-time simulation tool towards self-consistent scenario of plasma start-up and sustainment on helical fusion reactor FFHR-d1

NASA Astrophysics Data System (ADS)

Goto, T.; Miyazawa, J.; Sakamoto, R.; Suzuki, Y.; Suzuki, C.; Seki, R.; Satake, S.; Huang, B.; Nunami, M.; Yokoyama, M.; Sagara, A.; the FFHR Design Group

2017-06-01

This study closely investigates the plasma operation scenario for the LHD-type helical reactor FFHR-d1 in view of MHD equilibrium/stability, neoclassical transport, alpha energy loss and impurity effect. In 1D calculation code that reproduces the typical pellet discharges in LHD experiments, we identify a self-consistent solution of the plasma operation scenario which achieves steady-state sustainment of the burning plasma with a fusion gain of Q ~ 10 was found within the operation regime that has been already confirmed in LHD experiment. The developed calculation tool enables systematic analysis of the operation regime in real time.

A numerical study of the thermal stability of low-lying coronal loops

NASA Technical Reports Server (NTRS)

Klimchuk, J. A.; Antiochos, S. K.; Mariska, J. T.

1986-01-01

The nonlinear evolution of loops that are subjected to a variety of small but finite perturbations was studied. Only the low-lying loops are considered. The analysis was performed numerically using a one-dimensional hydrodynamical model developed at the Naval Research Laboratory. The computer codes solve the time-dependent equations for mass, momentum, and energy transport. The primary interest is the active region filaments, hence a geometry appropriate to those structures was considered. The static solutions were subjected to a moderate sized perturbation and allowed to evolve. The results suggest that both hot and cool loops of the geometry considered are thermally stable against amplitude perturbations of all kinds.

Virtual machine provisioning, code management, and data movement design for the Fermilab HEPCloud Facility

NASA Astrophysics Data System (ADS)

Timm, S.; Cooper, G.; Fuess, S.; Garzoglio, G.; Holzman, B.; Kennedy, R.; Grassano, D.; Tiradani, A.; Krishnamurthy, R.; Vinayagam, S.; Raicu, I.; Wu, H.; Ren, S.; Noh, S.-Y.

2017-10-01

The Fermilab HEPCloud Facility Project has as its goal to extend the current Fermilab facility interface to provide transparent access to disparate resources including commercial and community clouds, grid federations, and HPC centers. This facility enables experiments to perform the full spectrum of computing tasks, including data-intensive simulation and reconstruction. We have evaluated the use of the commercial cloud to provide elasticity to respond to peaks of demand without overprovisioning local resources. Full scale data-intensive workflows have been successfully completed on Amazon Web Services for two High Energy Physics Experiments, CMS and NOνA, at the scale of 58000 simultaneous cores. This paper describes the significant improvements that were made to the virtual machine provisioning system, code caching system, and data movement system to accomplish this work. The virtual image provisioning and contextualization service was extended to multiple AWS regions, and to support experiment-specific data configurations. A prototype Decision Engine was written to determine the optimal availability zone and instance type to run on, minimizing cost and job interruptions. We have deployed a scalable on-demand caching service to deliver code and database information to jobs running on the commercial cloud. It uses the frontiersquid server and CERN VM File System (CVMFS) clients on EC2 instances and utilizes various services provided by AWS to build the infrastructure (stack). We discuss the architecture and load testing benchmarks on the squid servers. We also describe various approaches that were evaluated to transport experimental data to and from the cloud, and the optimal solutions that were used for the bulk of the data transport. Finally, we summarize lessons learned from this scale test, and our future plans to expand and improve the Fermilab HEP Cloud Facility.

Virtual Machine Provisioning, Code Management, and Data Movement Design for the Fermilab HEPCloud Facility

DOE Office of Scientific and Technical Information (OSTI.GOV)

Timm, S.; Cooper, G.; Fuess, S.

The Fermilab HEPCloud Facility Project has as its goal to extend the current Fermilab facility interface to provide transparent access to disparate resources including commercial and community clouds, grid federations, and HPC centers. This facility enables experiments to perform the full spectrum of computing tasks, including data-intensive simulation and reconstruction. We have evaluated the use of the commercial cloud to provide elasticity to respond to peaks of demand without overprovisioning local resources. Full scale data-intensive workflows have been successfully completed on Amazon Web Services for two High Energy Physics Experiments, CMS and NOνA, at the scale of 58000 simultaneous cores.more » This paper describes the significant improvements that were made to the virtual machine provisioning system, code caching system, and data movement system to accomplish this work. The virtual image provisioning and contextualization service was extended to multiple AWS regions, and to support experiment-specific data configurations. A prototype Decision Engine was written to determine the optimal availability zone and instance type to run on, minimizing cost and job interruptions. We have deployed a scalable on-demand caching service to deliver code and database information to jobs running on the commercial cloud. It uses the frontiersquid server and CERN VM File System (CVMFS) clients on EC2 instances and utilizes various services provided by AWS to build the infrastructure (stack). We discuss the architecture and load testing benchmarks on the squid servers. We also describe various approaches that were evaluated to transport experimental data to and from the cloud, and the optimal solutions that were used for the bulk of the data transport. Finally, we summarize lessons learned from this scale test, and our future plans to expand and improve the Fermilab HEP Cloud Facility.« less

The escape of high explosive products: An exact-solution problem for verification of hydrodynamics codes

DOE PAGES

Doebling, Scott William

2016-10-22

This paper documents the escape of high explosive (HE) products problem. The problem, first presented by Fickett & Rivard, tests the implementation and numerical behavior of a high explosive detonation and energy release model and its interaction with an associated compressible hydrodynamics simulation code. The problem simulates the detonation of a finite-length, one-dimensional piece of HE that is driven by a piston from one end and adjacent to a void at the other end. The HE equation of state is modeled as a polytropic ideal gas. The HE detonation is assumed to be instantaneous with an infinitesimal reaction zone. Viamore » judicious selection of the material specific heat ratio, the problem has an exact solution with linear characteristics, enabling a straightforward calculation of the physical variables as a function of time and space. Lastly, implementation of the exact solution in the Python code ExactPack is discussed, as are verification cases for the exact solution code.« less

Technology in rural transportation. Simple solution #9, transportation operations optimization

DOT National Transportation Integrated Search

1997-01-01

This application was identified as a promising rural Intelligent Transportation Systems (ITS) solution under a project sponsored by the Federal Highway Administration (FHWA) and the ENTERPRISE program. This summary describes the solution as well as o...

Muon simulation codes MUSIC and MUSUN for underground physics

NASA Astrophysics Data System (ADS)

Kudryavtsev, V. A.

2009-03-01

The paper describes two Monte Carlo codes dedicated to muon simulations: MUSIC (MUon SImulation Code) and MUSUN (MUon Simulations UNderground). MUSIC is a package for muon transport through matter. It is particularly useful for propagating muons through large thickness of rock or water, for instance from the surface down to underground/underwater laboratory. MUSUN is designed to use the results of muon transport through rock/water to generate muons in or around underground laboratory taking into account their energy spectrum and angular distribution.

TEMPEST code simulations of hydrogen distribution in reactor containment structures. Final report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trent, D.S.; Eyler, L.L.

The mass transport version of the TEMPEST computer code was used to simulate hydrogen distribution in geometric configurations relevant to reactor containment structures. Predicted results of Battelle-Frankfurt hydrogen distribution tests 1 to 6, and 12 are presented. Agreement between predictions and experimental data is good. Best agreement is obtained using the k-epsilon turbulence model in TEMPEST in flow cases where turbulent diffusion and stable stratification are dominant mechanisms affecting transport. The code's general analysis capabilities are summarized.

Discovery of the ergothioneine transporter

PubMed Central

Gründemann, Dirk; Harlfinger, Stephanie; Golz, Stefan; Geerts, Andreas; Lazar, Andreas; Berkels, Reinhard; Jung, Norma; Rubbert, Andrea; Schömig, Edgar

2005-01-01

Variants of the SLC22A4 gene are associated with susceptibility to rheumatoid arthritis and Crohn's disease. SLC22A4 codes for an integral membrane protein, OCTN1, that has been presumed to carry organic cations like tetraethylammonium across the plasma membrane. Here, we show that the key substrate of this transporter is in fact ergothioneine (ET). Human OCTN1 was expressed in 293 cells. A substrate lead, stachydrine (alias proline betaine), was identified by liquid chromatography MS difference shading, a new substrate search strategy. Analysis of transport efficiency of stachydrine-related solutes, affinity, and Na+ dependence indicates that the physiological substrate is ET. Efficiency of transport of ET was as high as 195 μl per min per mg of protein. By contrast, the carnitine transporter OCTN2 from rat did not transport ET at all. Because ET is transported >100 times more efficiently than tetraethylammonium and carnitine, we propose the functional name ETT (ET transporter) instead of OCTN1. ET, all of which is absorbed from food, is an intracellular antioxidant with metal ion affinity. Its particular purpose is unresolved. Cells with expression of ETT accumulate ET to high levels and avidly retain it. By contrast, cells lacking ETT do not accumulate ET, because their plasma membrane is virtually impermeable for this compound. The real-time PCR expression profile of human ETT, with strong expression in CD71+ cells, is consistent with a pivotal function of ET in erythrocytes. Moreover, prominent expression of ETT in monocytes and SLC22A4 polymorphism associations suggest a protective role of ET in chronic inflammatory disorders. PMID:15795384

The infinite medium Green's function for neutron transport in plane geometry 40 years later

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ganapol, B.D.

1993-01-01

In 1953, the first of what was supposed to be two volumes on neutron transport theory was published. The monograph, entitled [open quotes]Introduction to the Theory of Neutron Diffusion[close quotes] by Case et al., appeared as a Los Alamos National Laboratory report and was to be followed by a second volume, which never appeared as intended because of the death of Placzek. Instead, Case and Zweifel collaborated on the now classic work entitled Linear Transport Theory 2 in which the underlying mathematical theory of linear transport was presented. The initial monograph, however, represented the coming of age of neutron transportmore » theory, which had its roots in radiative transfer and kinetic theory. In addition, it provided the first benchmark results along with the mathematical development for several fundamental neutron transport problems. In particular, one-dimensional infinite medium Green's functions for the monoenergetic transport equation in plane and spherical geometries were considered complete with numerical results to be used as standards to guide code development for applications. Unfortunately, because of the limited computational resources of the day, some numerical results were incorrect. Also, only conventional mathematics and numerical methods were used because the transport theorists of the day were just becoming acquainted with more modern mathematical approaches. In this paper, Green's function solution is revisited in light of modern numerical benchmarking methods with an emphasis on evaluation rather than theoretical results. The primary motivation for considering the Green's function at this time is its emerging use in solving finite and heterogeneous media transport problems.« less

Fluid flow and convective transport of solutes within the intervertebral disc.

PubMed

Ferguson, Stephen J; Ito, Keita; Nolte, Lutz P

2004-02-01

Previous experimental and analytical studies of solute transport in the intervertebral disc have demonstrated that for small molecules diffusive transport alone fulfils the nutritional needs of disc cells. It has been often suggested that fluid flow into and within the disc may enhance the transport of larger molecules. The goal of the study was to predict the influence of load-induced interstitial fluid flow on mass transport in the intervertebral disc. An iterative procedure was used to predict the convective transport of physiologically relevant molecules within the disc. An axisymmetric, poroelastic finite-element structural model of the disc was developed. The diurnal loading was divided into discrete time steps. At each time step, the fluid flow within the disc due to compression or swelling was calculated. A sequentially coupled diffusion/convection model was then employed to calculate solute transport, with a constant concentration of solute being provided at the vascularised endplates and outer annulus. Loading was simulated for a complete diurnal cycle, and the relative convective and diffusive transport was compared for solutes with molecular weights ranging from 400 Da to 40 kDa. Consistent with previous studies, fluid flow did not enhance the transport of low-weight solutes. During swelling, interstitial fluid flow increased the unidirectional penetration of large solutes by approximately 100%. Due to the bi-directional temporal nature of disc loading, however, the net effect of convective transport over a full diurnal cycle was more limited (30% increase). Further study is required to determine the significance of large solutes and the timing of their delivery for disc physiology.

14 CFR 257.6 - Effective and compliance dates.

Code of Federal Regulations, 2011 CFR

2011-01-01

... the selling carrier is not the transporting carrier and (ii) Of the transporting carrier's identity... transportation involving a code-share arrangement of the transporting carrier's corporate name and any other name...

14 CFR 257.6 - Effective and compliance dates.

Code of Federal Regulations, 2014 CFR

2014-01-01

... the selling carrier is not the transporting carrier and (ii) Of the transporting carrier's identity... transportation involving a code-share arrangement of the transporting carrier's corporate name and any other name...

14 CFR 257.6 - Effective and compliance dates.

Code of Federal Regulations, 2013 CFR

2013-01-01

... the selling carrier is not the transporting carrier and (ii) Of the transporting carrier's identity... transportation involving a code-share arrangement of the transporting carrier's corporate name and any other name...

14 CFR 257.6 - Effective and compliance dates.

Code of Federal Regulations, 2012 CFR

2012-01-01

... the selling carrier is not the transporting carrier and (ii) Of the transporting carrier's identity... transportation involving a code-share arrangement of the transporting carrier's corporate name and any other name...

PelePhysics

DOE Office of Scientific and Technical Information (OSTI.GOV)

2017-05-17

PelePhysics is a suite of physics packages that provides functionality of use to reacting hydrodynamics CFD codes. The initial release includes an interface to reaction rate mechanism evaluation, transport coefficient evaluation, and a generalized equation of state (EOS) facility. Both generic evaluators and interfaces to code from externally available tools (Fuego for chemical rates, EGLib for transport coefficients) are provided.