Neutron transportation simulator
International Nuclear Information System (INIS)
Uenohara, Yuzo.
1995-01-01
In the present invention, problems in an existent parallelized monte carlo method is solved, and behaviors of neutrons in a large scaled system are accurately simulated at a high speed. Namely, a neutron transportation simulator according to the monte carlo method simulates movement of each of neutrons by using a parallel computer. In this case, the system to be processed is divided based on a space region and an energy region to which neutrons belong. Simulation of neutrons in the divided regions is allotted to each of performing devices of the parallel computer. Tarry data and nuclear data of the neutrons in each of the regions are memorized dispersedly to memories of each of the performing devices. A transmission means for simulating the behaviors of the neutrons in the region by each of the performing devices, as well as transmitting the information of the neutrons, when the neutrons are moved to other region, to the performing device in a transported portion are disposed to each of the performing devices. With such procedures, simulation for the neutrons in the allotted region can be conducted with small capacity of memories. (I.S.)
Computer simulations of anomalous transport
International Nuclear Information System (INIS)
Lee, W.W.; Okuda, H.
1980-07-01
Numerical plasma simulations have been carried out to study: (1) the turbulent spectrum and anomalous plasma transport associated with a steady state electrostatic drift turbulence; and (2) the anomalous energy transport of electrons due to shear-Alfven waves in a finite-β plasma. For the simulation of the steady state drift turbulence, it is observed that, in the absence of magnetic shear, the turbulence is quenched to a low level when the rotational transform is a rational number, while the turbulent level remains high for an irrational rotational transform
Neoclassical transport simulations for stellarators
International Nuclear Information System (INIS)
Turkin, Y.; Beidler, C. D.; Maassberg, H.; Murakami, S.; Wakasa, A.; Tribaldos, V.
2011-01-01
The benchmarking of the thermal neoclassical transport coefficients is described using examples of the Large Helical Device (LHD) and TJ-II stellarators. The thermal coefficients are evaluated by energy convolution of the monoenergetic coefficients obtained by direct interpolation or neural network techniques from the databases precalculated by different codes. The temperature profiles are calculated by a predictive transport code from the energy balance equations with the ambipolar radial electric field estimated from a diffusion equation to guarantee a unique and smooth solution, although several solutions of the ambipolarity condition may exist when root-finding is invoked; the density profiles are fixed. The thermal transport coefficients as well as the ambipolar radial electric field are compared and very reasonable agreement is found for both configurations. Together with an additional W7-X case, these configurations represent very different degrees of neoclassical confinement at low collisionalities. The impact of the neoclassical optimization on the energy confinement time is evaluated and the confinement times for different devices predicted by transport modeling are compared with the standard scaling for stellarators. Finally, all configurations are scaled to the same volume for a direct comparison of the volume-averaged pressure and the neoclassical degree of optimization.
Reactive transport models and simulation with ALLIANCES
International Nuclear Information System (INIS)
Leterrier, N.; Deville, E.; Bary, B.; Trotignon, L.; Hedde, T.; Cochepin, B.; Stora, E.
2009-01-01
Many chemical processes influence the evolution of nuclear waste storage. As a result, simulations based only upon transport and hydraulic processes fail to describe adequately some industrial scenarios. We need to take into account complex chemical models (mass action laws, kinetics...) which are highly non-linear. In order to simulate the coupling of these chemical reactions with transport, we use a classical Sequential Iterative Approach (SIA), with a fixed point algorithm, within the mainframe of the ALLIANCES platform. This approach allows us to use the various transport and chemical modules available in ALLIANCES, via an operator-splitting method based upon the structure of the chemical system. We present five different applications of reactive transport simulations in the context of nuclear waste storage: 1. A 2D simulation of the lixiviation by rain water of an underground polluted zone high in uranium oxide; 2. The degradation of the steel envelope of a package in contact with clay. Corrosion of the steel creates corrosion products and the altered package becomes a porous medium. We follow the degradation front through kinetic reactions and the coupling with transport; 3. The degradation of a cement-based material by the injection of an aqueous solution of zinc and sulphate ions. In addition to the reactive transport coupling, we take into account in this case the hydraulic retroaction of the porosity variation on the Darcy velocity; 4. The decalcification of a concrete beam in an underground storage structure. In this case, in addition to the reactive transport simulation, we take into account the interaction between chemical degradation and the mechanical forces (cracks...), and the retroactive influence on the structure changes on transport; 5. The degradation of the steel envelope of a package in contact with a clay material under a temperature gradient. In this case the reactive transport simulation is entirely directed by the temperature changes and
Biological transportation networks: Modeling and simulation
Albi, Giacomo
2015-09-15
We present a model for biological network formation originally introduced by Cai and Hu [Adaptation and optimization of biological transport networks, Phys. Rev. Lett. 111 (2013) 138701]. The modeling of fluid transportation (e.g., leaf venation and angiogenesis) and ion transportation networks (e.g., neural networks) is explained in detail and basic analytical features like the gradient flow structure of the fluid transportation network model and the impact of the model parameters on the geometry and topology of network formation are analyzed. We also present a numerical finite-element based discretization scheme and discuss sample cases of network formation simulations.
Global gyrokinetic simulation of tokamak transport
International Nuclear Information System (INIS)
Furnish, G.; Horton, W.; Kishimoto, Y.; LeBrun, M.J.; Tajima, T.
1998-10-01
A kinetic simulation code based on the gyrokinetic ion dynamics in global general metric (including a tokamak with circular or noncircular cross-section) has been developed. This gyrokinetic simulation is capable of examining the global and semi-global driftwave structures and their associated transport in a tokamak plasma. The authors investigate the property of the ion temperature gradient (ITG) or η i (η i ≡ ∂ ell nT i /∂ ell n n i ) driven drift waves in a tokamak plasma. The emergent semi-global drift wave modes give rise to thermal transport characterized by the Bohm scaling
Particle-transport simulation with the Monte Carlo method
International Nuclear Information System (INIS)
Carter, L.L.; Cashwell, E.D.
1975-01-01
Attention is focused on the application of the Monte Carlo method to particle transport problems, with emphasis on neutron and photon transport. Topics covered include sampling methods, mathematical prescriptions for simulating particle transport, mechanics of simulating particle transport, neutron transport, and photon transport. A literature survey of 204 references is included. (GMT)
Simulating the Interactions Among Land Use, Transportation ...
In most transportation studies, computer models that forecast travel behavior statistics for a future year use static projections of the spatial distribution of future population and employment growth as inputs. As a result, they are unable to account for the temporally dynamic and non-linear interactions among transportation, land use, and socioeconomic systems. System dynamics (SD) provides a common framework for modeling the complex interactions among transportation and other related systems. This study uses a SD model to simulate the cascading impacts of a proposed light rail transit (LRT) system in central North Carolina, USA. The Durham-Orange Light Rail Project (D-O LRP) SD model incorporates relationships among the land use, transportation, and economy sectors to simulate the complex feedbacks that give rise to the travel behavior changes forecasted by the region’s transportation model. This paper demonstrates the sensitivity of changes in travel behavior to the proposed LRT system and the assumptions that went into the transportation modeling, and compares those results to the impacts of an alternative fare-free transit system. SD models such as the D-O LRP SD model can complement transportation studies by providing valuable insight into the interdependent community systems that collectively contribute to travel behavior changes. Presented at the 35th International Conference of the System Dynamics Society in Cambridge, MA, July 18th, 2017
The Science of Transportation Analysis and Simulation
Gleibe, John
2010-03-01
Transportation Science focuses on methods developed to model and analyze the interaction between human behavior and transportation systems. From the human behavioral, or demand, perspective, we are interested in how person and households organize their activities across space and time, with travel viewed as an enabling activity. We have a particular interest in how to model the range of responses to public policy and transportation system changes, which leads to the consideration of both short- and long-term decision-making, interpersonal dependencies, and non-transportation-related opportunities and constraints, including household budgets, land use systems and economic systems. This has led to the development of complex structural econometric modeling systems as well as agent-based simulations. From the transportation systems, or supply, perspective we are interested in the level of service provide by transportation facilities, be it auto, transit or multi-modal systems. This has led to the development of network models and equilibrium concepts as well as hybrid simulation systems based on concepts borrowed from physics, such as fluid flow models, and cellular automata-type models. In this presentation, we review a representative sample of these methods and their use in transportation planning and public policy analysis.
Simulating charge transport in flexible systems
Directory of Open Access Journals (Sweden)
Timothy Clark
2015-12-01
Full Text Available Systems in which movements occur on two significantly different time domains, such as organic electronic components with flexible molecules, require different simulation techniques for the two time scales. In the case of molecular electronics, charge transport is complicated by the several different mechanisms (and theoretical models that apply in different cases. We cannot yet combine time scales of molecular and electronic movement in simulations of real systems. This review describes our progress towards this goal.
Plasma confinement theory and transport simulation
International Nuclear Information System (INIS)
Ross, D.W.
1989-06-01
An overview of the program has been given in the contract proposal. The principal objectives are: to provide theoretical interpretation and computer modelling for the TEXT tokamak, and to advance the simulation studies of tokamaks generally, functioning as a National Transport Center. We also carry out equilibrium and stability studies in support of the TEXT upgrade, and work has continued on Alfven waves and MFENET software development. The focus of the program is to lay the groundwork for detailed comparison with experiment of the various transport theories to improve physics understanding and confidence in predictions of future machine behavior. This involves: to collect, in retrievable form, the data from TEXT and other tokamaks; to make the data available through easy-to-use interfaces; to develop criteria for success in fitting models to the data; to maintain the Texas transport code CHAPO and make it available to users; to collect theoretical models and implement them in the transport code; and to carry out simulation studies and evaluate fits to the data. In the following we outline the progress made in fiscal year 1989. Of special note are the proposed participation of our data base project in the ITER program, and a proposed q-profile diagnostic based on our neutral transport studies. We have emphasized collaboration with the TEXT experimentalists, making as much use as possible of the measured fluctuation spectra. 52 refs
Gyrokinetic particle simulation of neoclassical transport
International Nuclear Information System (INIS)
Lin, Z.; Tang, W.M.; Lee, W.W.
1995-01-01
A time varying weighting (δf ) scheme for gyrokinetic particle simulation is applied to a steady-state, multispecies simulation of neoclassical transport. Accurate collision operators conserving momentum and energy are developed and implemented. Simulation results using these operators are found to agree very well with neoclassical theory. For example, it is dynamically demonstrated that like-particle collisions produce no particle flux and that the neoclassical fluxes are ambipolar for an ion--electron plasma. An important physics feature of the present scheme is the introduction of toroidal flow to the simulations. Simulation results are in agreement with the existing analytical neoclassical theory. The poloidal electric field associated with toroidal mass flow is found to enhance density gradient-driven electron particle flux and the bootstrap current while reducing temperature gradient-driven flux and current. Finally, neoclassical theory in steep gradient profile relevant to the edge regime is examined by taking into account finite banana width effects. In general, in the present work a valuable new capability for studying important aspects of neoclassical transport inaccessible by conventional analytical calculation processes is demonstrated. copyright 1995 American Institute of Physics
Monte Carlo simulation for the transport beamline
Energy Technology Data Exchange (ETDEWEB)
Romano, F.; Cuttone, G.; Jia, S. B.; Varisano, A. [INFN, Laboratori Nazionali del Sud, Via Santa Sofia 62, Catania (Italy); Attili, A.; Marchetto, F.; Russo, G. [INFN, Sezione di Torino, Via P.Giuria, 1 10125 Torino (Italy); Cirrone, G. A. P.; Schillaci, F.; Scuderi, V. [INFN, Laboratori Nazionali del Sud, Via Santa Sofia 62, Catania, Italy and Institute of Physics Czech Academy of Science, ELI-Beamlines project, Na Slovance 2, Prague (Czech Republic); Carpinelli, M. [INFN Sezione di Cagliari, c/o Dipartimento di Fisica, Università di Cagliari, Cagliari (Italy); Tramontana, A. [INFN, Laboratori Nazionali del Sud, Via Santa Sofia 62, Catania, Italy and Università di Catania, Dipartimento di Fisica e Astronomia, Via S. Sofia 64, Catania (Italy)
2013-07-26
In the framework of the ELIMED project, Monte Carlo (MC) simulations are widely used to study the physical transport of charged particles generated by laser-target interactions and to preliminarily evaluate fluence and dose distributions. An energy selection system and the experimental setup for the TARANIS laser facility in Belfast (UK) have been already simulated with the GEANT4 (GEometry ANd Tracking) MC toolkit. Preliminary results are reported here. Future developments are planned to implement a MC based 3D treatment planning in order to optimize shots number and dose delivery.
Monte Carlo simulation for the transport beamline
International Nuclear Information System (INIS)
Romano, F.; Cuttone, G.; Jia, S. B.; Varisano, A.; Attili, A.; Marchetto, F.; Russo, G.; Cirrone, G. A. P.; Schillaci, F.; Scuderi, V.; Carpinelli, M.; Tramontana, A.
2013-01-01
In the framework of the ELIMED project, Monte Carlo (MC) simulations are widely used to study the physical transport of charged particles generated by laser-target interactions and to preliminarily evaluate fluence and dose distributions. An energy selection system and the experimental setup for the TARANIS laser facility in Belfast (UK) have been already simulated with the GEANT4 (GEometry ANd Tracking) MC toolkit. Preliminary results are reported here. Future developments are planned to implement a MC based 3D treatment planning in order to optimize shots number and dose delivery
Conflict simulation for surface transport systems
International Nuclear Information System (INIS)
Keeton, S.C.; De Laquil, P. III.
1977-07-01
An important element in the analysis of transportation safeguards systems is the determination of the outcome of an armed attack against the system. Such information is necessary to understand relationships among the various defender tactics, weapons systems, and adversary attributes. A battle model, SABRES, which can simulate safeguards engagements is under development. This paper briefly describes the first phase of SABRES and presents some examples of its capabilities
The Multi-Agent Transport Simulation MATSim
Horni Andreas; Nagel Kai; Axhausen Kay W.
2016-01-01
"The MATSim (Multi-Agent Transport Simulation) software project was started around 2006 with the goal of generating traffic and congestion patterns by following individual synthetic travelers through their daily or weekly activity programme. It has since then evolved from a collection of stand-alone C++ programs to an integrated Java-based framework which is publicly hosted, open-source available, automatically regression tested. It is currently used by about 40 groups throughout the world. T...
Macrofilament simulation of high current beam transport
International Nuclear Information System (INIS)
Hayden, R.J.; Jakobson, M.J.
1985-01-01
Macrofilament simulation of high current beam transport through a series of solenoids has been used to investigate the sensitivity of such calculations to the initial beam distribution and to the number of filaments used in the simulation. The transport line was tuned to approximately 105 0 phase advance per cell at zero current with a tune depression of 65 0 due to the space charge. Input distributions with the filaments randomly uniform throughout a four dimensional ellipsoid and K-V input distributions have been studied. The behavior of the emittance is similar to that published for quadrupoles with like tune depression. The emittance demonstrated little growth in the first twelve solenoids, a rapid rate of growth for the next twenty, and a subsequent slow rate of growth. A few hundred filaments were sufficient to show the character of the instability. The number of filaments utilized is an order of magnitude fewer than has been utilized previously for similar instabilities. The previously published curves for simulations with less than a thousand particles show a rather constant emittance growth. If the solenoid transport line magnetic field is increased a few percent, emittance growth curves are obtained not unlike those curves. Collision growth effects are less important than indicated in the previously published results for quadrupoles
First-principles simulations of heat transport
Puligheddu, Marcello; Gygi, Francois; Galli, Giulia
2017-11-01
Advances in understanding heat transport in solids were recently reported by both experiment and theory. However an efficient and predictive quantum simulation framework to investigate thermal properties of solids, with the same complexity as classical simulations, has not yet been developed. Here we present a method to compute the thermal conductivity of solids by performing ab initio molecular dynamics at close to equilibrium conditions, which only requires calculations of first-principles trajectories and atomic forces, thus avoiding direct computation of heat currents and energy densities. In addition the method requires much shorter sequential simulation times than ordinary molecular dynamics techniques, making it applicable within density functional theory. We discuss results for a representative oxide, MgO, at different temperatures and for ordered and nanostructured morphologies, showing the performance of the method in different conditions.
Simulations of charge transport in organic compounds
Energy Technology Data Exchange (ETDEWEB)
Vehoff, Thorsten
2010-05-05
We study the charge transport properties of organic liquid crystals, i.e. hexabenzocoronene and carbazole macrocycle, and single crystals, i.e. rubrene, indolocarbazole and benzothiophene derivatives (BTBT, BBBT). The aim is to find structure-property relationships linking the chemical structure as well as the morphology with the bulk charge carrier mobility of the compounds. To this end, molecular dynamics (MD) simulations are performed yielding realistic equilibrated morphologies. Partial charges and molecular orbitals are calculated based on single molecules in vacuum using quantum chemical methods. The molecular orbitals are then mapped onto the molecular positions and orientations, which allows calculation of the transfer integrals between nearest neighbors using the molecular orbital overlap method. Thus we obtain realistic transfer integral distributions and their autocorrelations. In case of organic crystals the differences between two descriptions of charge transport, namely semi-classical dynamics (SCD) in the small polaron limit and kinetic Monte Carlo (KMC) based on Marcus rates, are studied. The liquid crystals are investigated solely in the hopping limit. To simulate the charge dynamics using KMC, the centers of mass of the molecules are mapped onto lattice sites and the transfer integrals are used to compute the hopping rates. In the small polaron limit, where the electronic wave function is spread over a limited number of neighboring molecules, the Schroedinger equation is solved numerically using a semi-classical approach. The carbazole macrocycles form columnar structures arranged on a hexagonal lattice with side chains facing inwards, so columns can closely approach each other allowing inter-columnar and thus three-dimensional transport. We are able to show that, on the time-scales of charge transport, static disorder due to slow side chain motions is the main factor determining the mobility. The high mobility of rubrene is explained by two main
Simulating the mesoscale transport of krypton-85.
Felsberg, Anne; Ross, J Ole; Schlosser, Clemens; Kirchner, Gerald
2018-01-01
Due to its half-life, chemical inertness and low solubility in water, radioactive 85 Kr is a valuable tracer for testing the performance of atmospheric dispersion models in simulating long-range transport of pollutants. This paper evaluates the capability of simulating the dispersion of radiokrypton emitted by a nuclear fuel reprocessing plant in north-west France. Three time periods during which elevated activity concentrations of 85 Kr in ground level air were detected in south-west Germany are chosen. Simulations have been performed using the HYSPLIT code and the European Centre for Median-Range Weather Forecasts (ECMWF) data base. Although their results show a slight trend of underestimating the measured 85 Kr concentrations, there is a significant correlation and moderate scatter between observations and simulations with about 50% of the results being within a factor of two of the measured concentrations. The simulated travel time distributions provided a valuable tool for providing additional insight into the dispersion of the tracer radionuclides and for identifying potential causes of deviations between measured and calculated concentrations. Copyright © 2017. Published by Elsevier Ltd.
MSTS - Multiphase Subsurface Transport Simulator theory manual
International Nuclear Information System (INIS)
White, M.D.; Nichols, W.E.
1993-05-01
The US Department of Energy, through the Yucca Mountain Site Characterization Project Office, has designated the Yucca Mountain site in Nevada for detailed study as the candidate US geologic repository for spent nuclear fuel and high-level radioactive waste. Site characterization will determine the suitability of the Yucca Mountain site for the potential waste repository. If the site is determined suitable, subsequent studies and characterization will be conducted to obtain authorization from the Nuclear Regulatory Commission to construct the potential waste repository. A principal component of the characterization and licensing processes involves numerically predicting the thermal and hydrologic response of the subsurface environment of the Yucca Mountain site to the potential repository over a 10,000-year period. The thermal and hydrologic response of the subsurface environment to the repository is anticipated to include complex processes of countercurrent vapor and liquid migration, multiple-phase heat transfer, multiple-phase transport, and geochemical reactions. Numerical simulators based on mathematical descriptions of these subsurface phenomena are required to make numerical predictions of the thermal and hydrologic response of the Yucca Mountain subsurface environment The engineering simulator called the Multiphase Subsurface Transport Simulator (MSTS) was developed at the request of the Yucca Mountain Site Characterization Project Office to produce numerical predictions of subsurface flow and transport phenomena at the potential Yucca Mountain site. This document delineates the design architecture and describes the specific computational algorithms that compose MSTS. Details for using MSTS and sample problems are given in the open-quotes User's Guide and Referenceclose quotes companion document
Rare event simulation in radiation transport
International Nuclear Information System (INIS)
Kollman, C.
1993-10-01
This dissertation studies methods for estimating extremely small probabilities by Monte Carlo simulation. Problems in radiation transport typically involve estimating very rare events or the expected value of a random variable which is with overwhelming probability equal to zero. These problems often have high dimensional state spaces and irregular geometries so that analytic solutions are not possible. Monte Carlo simulation must be used to estimate the radiation dosage being transported to a particular location. If the area is well shielded the probability of any one particular particle getting through is very small. Because of the large number of particles involved, even a tiny fraction penetrating the shield may represent an unacceptable level of radiation. It therefore becomes critical to be able to accurately estimate this extremely small probability. Importance sampling is a well known technique for improving the efficiency of rare event calculations. Here, a new set of probabilities is used in the simulation runs. The results are multiple by the likelihood ratio between the true and simulated probabilities so as to keep the estimator unbiased. The variance of the resulting estimator is very sensitive to which new set of transition probabilities are chosen. It is shown that a zero variance estimator does exist, but that its computation requires exact knowledge of the solution. A simple random walk with an associated killing model for the scatter of neutrons is introduced. Large deviation results for optimal importance sampling in random walks are extended to the case where killing is present. An adaptive ''learning'' algorithm for implementing importance sampling is given for more general Markov chain models of neutron scatter. For finite state spaces this algorithm is shown to give with probability one, a sequence of estimates converging exponentially fast to the true solution
Computer simulation of radial transport in tandem mirror machines
International Nuclear Information System (INIS)
Gilmore, J.M.
1979-01-01
A code used for simulation of classical radial transport in the 2XIIB experiment has been modified to simulate radial transport in TMX. Results have been obtained using classical transport coefficients and also using very simple trial neoclassical resonant transport coefficients. Comparison of the results obtained with solely classical transport and with both classical and neo-classical transport indicate that neoclassical transport depresses the ion density by approximately 5%. The central cell ion temperature is increased by approximately by the neo-classical transport, as is the electron temperature
Modeling VOC transport in simulated waste drums
International Nuclear Information System (INIS)
Liekhus, K.J.; Gresham, G.L.; Peterson, E.S.; Rae, C.; Hotz, N.J.; Connolly, M.J.
1993-06-01
A volatile organic compound (VOC) transport model has been developed to describe unsteady-state VOC permeation and diffusion within a waste drum. Model equations account for three primary mechanisms for VOC transport from a void volume within the drum. These mechanisms are VOC permeation across a polymer boundary, VOC diffusion across an opening in a volume boundary, and VOC solubilization in a polymer boundary. A series of lab-scale experiments was performed in which the VOC concentration was measured in simulated waste drums under different conditions. A lab-scale simulated waste drum consisted of a sized-down 55-gal metal drum containing a modified rigid polyethylene drum liner. Four polyethylene bags were sealed inside a large polyethylene bag, supported by a wire cage, and placed inside the drum liner. The small bags were filled with VOC-air gas mixture and the VOC concentration was measured throughout the drum over a period of time. Test variables included the type of VOC-air gas mixtures introduced into the small bags, the small bag closure type, and the presence or absence of a variable external heat source. Model results were calculated for those trials where the VOC permeability had been measured. Permeabilities for five VOCs [methylene chloride, 1,1,2-trichloro-1,2,2-trifluoroethane (Freon-113), 1,1,1-trichloroethane, carbon tetrachloride, and trichloroethylene] were measured across a polyethylene bag. Comparison of model and experimental results of VOC concentration as a function of time indicate that model accurately accounts for significant VOC transport mechanisms in a lab-scale waste drum
TOUGH, Unsaturated Groundwater Transport and Heat Transport Simulation
International Nuclear Information System (INIS)
Pruess, K.A.; Cooper, C.; Osnes, J.D.
1992-01-01
1 - Description of program or function: A successor to the TOUGH program, TOUGH2 offers added capabilities and user features, including the flexibility to handle different fluid mixtures (water, water with tracer; water, CO 2 ; water, air; water, air with vapour pressure lowering, and water, hydrogen), facilities for processing of geometric data (computational grids), and an internal version control system to ensure referenceability of code applications. TOUGH (Transport of Unsaturated Groundwater and Heat) is a multi-dimensional numerical model for simulating the coupled transport of water, vapor, air, and heat in porous and fractured media. The program provides options for specifying injection or withdrawal of heat and fluids. Although primarily designed for studies of high-level nuclear waste isolation in partially saturated geological media, it should also be useful for a wider range of problems in heat and moisture transfer, and in the drying of porous materials. For example, geothermal reservoir simulation problems can be handled simply by setting the air mass function equal to zero on input. The TOUGH simulator was developed for problems involving strongly heat-driven flow. To describe these phenomena a multi-phase approach to fluid and heat flow is used, which fully accounts for the movement of gaseous and liquid phases, their transport of latent transitions between liquid and vapor. TOUGH takes account of fluid flow in both liquid and gaseous phases occurring under pressure, viscous, and gravity forces according to Darcy's law. Interference between the phases is represented by means of relative permeability functions. The code handles binary, but not Knudsen, diffusion in the gas phase and capillary and phase absorption effects for the liquid phase. Heat transport occurs by means of conduction with thermal conductivity dependent on water saturation, convection, and binary diffusion, which includes both sensible and latent heat. 2 - Method of solution: All
Rare Event Simulation in Radiation Transport
Kollman, Craig
This dissertation studies methods for estimating extremely small probabilities by Monte Carlo simulation. Problems in radiation transport typically involve estimating very rare events or the expected value of a random variable which is with overwhelming probability equal to zero. These problems often have high dimensional state spaces and irregular geometries so that analytic solutions are not possible. Monte Carlo simulation must be used to estimate the radiation dosage being transported to a particular location. If the area is well shielded the probability of any one particular particle getting through is very small. Because of the large number of particles involved, even a tiny fraction penetrating the shield may represent an unacceptable level of radiation. It therefore becomes critical to be able to accurately estimate this extremely small probability. Importance sampling is a well known technique for improving the efficiency of rare event calculations. Here, a new set of probabilities is used in the simulation runs. The results are multiplied by the likelihood ratio between the true and simulated probabilities so as to keep our estimator unbiased. The variance of the resulting estimator is very sensitive to which new set of transition probabilities are chosen. It is shown that a zero variance estimator does exist, but that its computation requires exact knowledge of the solution. A simple random walk with an associated killing model for the scatter of neutrons is introduced. Large deviation results for optimal importance sampling in random walks are extended to the case where killing is present. An adaptive "learning" algorithm for implementing importance sampling is given for more general Markov chain models of neutron scatter. For finite state spaces this algorithm is shown to give, with probability one, a sequence of estimates converging exponentially fast to the true solution. In the final chapter, an attempt to generalize this algorithm to a continuous
Transport Simulations for Fast Ignition on NIF
Energy Technology Data Exchange (ETDEWEB)
Strozzi, D J; Tabak, M; Grote, D P; Cohen, B I; Shay, H D; Town, R J; Kemp, A J; Key, M
2009-10-26
We are designing a full hydro-scale cone-guided, indirect-drive FI coupling experiment, for NIF, with the ARC-FIDO short-pulse laser. Current rad-hydro designs with limited fuel jetting into cone tip are not yet adequate for ignition. Designs are improving. Electron beam transport simulations (implicit-PIC LSP) show: (1) Magnetic fields and smaller angular spreads increase coupling to ignition-relevant 'hot spot' (20 um radius); (2) Plastic CD (for a warm target) produces somewhat better coupling than pure D (cryogenic target) due to enhanced resistive B fields; and (3) The optimal T{sub hot} for this target is {approx} 1 MeV; coupling falls by 3x as T{sub hot} rises to 4 MeV.
Transport simulation of mangoes irradiated for exportation
International Nuclear Information System (INIS)
Broisler, Paula Olhe
2007-01-01
It had been studied the effect of the ionizing radiation (gamma) in mangoes for exportation, simulating the stage of preservation of the fruit during its transport, through the refrigeration in cold chamber. In a first stage they had been analyzed through loss of weight, pH, treatable acidity, soluble solid, texture and decomposition. Later, sensorial analyses had been become fulfilled (alterations of color, odor, flavor, texture). The assays had been carried through in two stadiums of maturation of the fruits, that is, 2 and 3, with the intention of studying optimum point of harvest for the best dosage of irradiation. The results disclose together that the treatment of the mangoes Tommy Atkins in the dose of 0,75 kGy was significant, with the fruit in stadium 2, for the retardation of the matureness and consequent profit of time for the exportation. (author)
Correlated prompt fission data in transport simulations
Talou, P.; Vogt, R.; Randrup, J.; Rising, M. E.; Pozzi, S. A.; Verbeke, J.; Andrews, M. T.; Clarke, S. D.; Jaffke, P.; Jandel, M.; Kawano, T.; Marcath, M. J.; Meierbachtol, K.; Nakae, L.; Rusev, G.; Sood, A.; Stetcu, I.; Walker, C.
2018-01-01
Detailed information on the fission process can be inferred from the observation, modeling and theoretical understanding of prompt fission neutron and γ-ray observables. Beyond simple average quantities, the study of distributions and correlations in prompt data, e.g., multiplicity-dependent neutron and γ-ray spectra, angular distributions of the emitted particles, n - n, n - γ, and γ - γ correlations, can place stringent constraints on fission models and parameters that would otherwise be free to be tuned separately to represent individual fission observables. The FREYA and CGMF codes have been developed to follow the sequential emissions of prompt neutrons and γ rays from the initial excited fission fragments produced right after scission. Both codes implement Monte Carlo techniques to sample initial fission fragment configurations in mass, charge and kinetic energy and sample probabilities of neutron and γ emission at each stage of the decay. This approach naturally leads to using simple but powerful statistical techniques to infer distributions and correlations among many observables and model parameters. The comparison of model calculations with experimental data provides a rich arena for testing various nuclear physics models such as those related to the nuclear structure and level densities of neutron-rich nuclei, the γ-ray strength functions of dipole and quadrupole transitions, the mechanism for dividing the excitation energy between the two nascent fragments near scission, and the mechanisms behind the production of angular momentum in the fragments, etc. Beyond the obvious interest from a fundamental physics point of view, such studies are also important for addressing data needs in various nuclear applications. The inclusion of the FREYA and CGMF codes into the MCNP6.2 and MCNPX - PoliMi transport codes, for instance, provides a new and powerful tool to simulate correlated fission events in neutron transport calculations important in
Correlated prompt fission data in transport simulations
Energy Technology Data Exchange (ETDEWEB)
Talou, P.; Jaffke, P.; Kawano, T.; Stetcu, I. [Los Alamos National Laboratory, Nuclear Physics Group, Theoretical Division, Los Alamos, NM (United States); Vogt, R. [Lawrence Livermore National Laboratory, Nuclear and Chemical Sciences Division, Livermore, CA (United States); University of California, Physics Department, Davis, CA (United States); Randrup, J. [Lawrence Berkeley National Laboratory, Nuclear Science Division, Berkeley, CA (United States); Rising, M.E.; Andrews, M.T.; Sood, A. [Los Alamos National Laboratory, Monte Carlo Methods, Codes, and Applications Group, Los Alamos, NM (United States); Pozzi, S.A.; Clarke, S.D.; Marcath, M.J. [University of Michigan, Department of Nuclear Engineering and Radiological Sciences, Ann Arbor, MI (United States); Verbeke, J.; Nakae, L. [Lawrence Livermore National Laboratory, Nuclear and Chemical Sciences Division, Livermore, CA (United States); Jandel, M. [Los Alamos National Laboratory, Nuclear and Radiochemistry Group, Los Alamos, NM (United States); University of Massachusetts, Department of Physics and Applied Physics, Lowell, MA (United States); Meierbachtol, K. [Los Alamos National Laboratory, Nuclear Engineering and Nonproliferation, Los Alamos, NM (United States); Rusev, G.; Walker, C. [Los Alamos National Laboratory, Nuclear and Radiochemistry Group, Los Alamos, NM (United States)
2018-01-15
Detailed information on the fission process can be inferred from the observation, modeling and theoretical understanding of prompt fission neutron and γ-ray observables. Beyond simple average quantities, the study of distributions and correlations in prompt data, e.g., multiplicity-dependent neutron and γ-ray spectra, angular distributions of the emitted particles, n-n, n-γ, and γ-γ correlations, can place stringent constraints on fission models and parameters that would otherwise be free to be tuned separately to represent individual fission observables. The FREYA and CGMF codes have been developed to follow the sequential emissions of prompt neutrons and γ rays from the initial excited fission fragments produced right after scission. Both codes implement Monte Carlo techniques to sample initial fission fragment configurations in mass, charge and kinetic energy and sample probabilities of neutron and γ emission at each stage of the decay. This approach naturally leads to using simple but powerful statistical techniques to infer distributions and correlations among many observables and model parameters. The comparison of model calculations with experimental data provides a rich arena for testing various nuclear physics models such as those related to the nuclear structure and level densities of neutron-rich nuclei, the γ-ray strength functions of dipole and quadrupole transitions, the mechanism for dividing the excitation energy between the two nascent fragments near scission, and the mechanisms behind the production of angular momentum in the fragments, etc. Beyond the obvious interest from a fundamental physics point of view, such studies are also important for addressing data needs in various nuclear applications. The inclusion of the FREYA and CGMF codes into the MCNP6.2 and MCNPX-PoliMi transport codes, for instance, provides a new and powerful tool to simulate correlated fission events in neutron transport calculations important in nonproliferation
Simulations of proppant transport in microfractures
Bancewicz, Mateusz; Poła, Jakub; Koza, Zbigniew
2017-04-01
During the hydraulic fracturing of oil and gas shales a mixture of fracking fluid and solid proppant is injected into the rock fractures. Since this process takes place under physically extreme conditions, a few kilometers under the earth surface, it is practically impossible to obtain detailed, in situ data about the actual proppant transport on the scale of individual fractures and proppant grains. One way to improve our understanding of this technologically critical phenomenon is through numerical simulations. We use two standard computational fluid dynamics (CFD) solvers, finite volume (FVM) and lattice-Boltzmann (LBM) methods, and couple them with the discrete element method (DEM) in a fully resolved manner [1, 2, 3] to track the fluid parameters and proppant trajectories. This approach allows us to simulate up to about a thousand proppant agents in an arbitrary 3D fracture geometry filled with a fluid, with proppant-proppant, proppant-fluid, and fluid-proppant interactions taken into account. In this report we focus on two problems crucial for efficient and sufficiently accurate numerical simulations of proppant transport and sedimentation. 1. Is rotation of proppant grains an important factor determining the final distribution of proppants during proppant sedimentation in a realistically narrow, wiggly fracture? 2. Is the lubrication force necessary for the proper reconstruction of collision events between particles and walls as well as between particles themselves [4]? Our preliminary results show that the answer to the first question is negative. Due to a large number of proppant-proppant and proppant-wall collisions, as well as because of the damping effect of the proppant-fluid coupling, the influence of the proppant rotation on the proppant sedimentation appears to be negligible. However, the answer to the second question is positive: the lubrication force plays an important role in the proper numerical recovery of collisions. References: [1] D. R. J
Impact of Hypobarism During Simulated Transport on Critical Care Air Transport Team Performance
2017-04-26
AFRL-SA-WP-SR-2017-0008 Impact of Hypobarism During Simulated Transport on Critical Care Air Transport Team Performance Dina...July 2014 – November 2016 4. TITLE AND SUBTITLE Impact of Hypobarism During Simulated Transport on Critical Care Air Transport Team Performance 5a...During Critical Care Air Transport Team Advanced Course validation, three-member teams consisting of a physician, nurse, and respiratory therapist
Charge-transport simulations in organic semiconductors
Energy Technology Data Exchange (ETDEWEB)
May, Falk
2012-07-06
In this thesis we have extended the methods for microscopic charge-transport simulations for organic semiconductors, where weak intermolecular interactions lead to spatially localized charge carriers, and the charge transport occurs as an activated hopping process between diabatic states. In addition to weak electronic couplings between these states, different electrostatic environments in the organic material lead to a broadening of the density of states for the charge energies which limits carrier mobilities. The contributions to the method development include (i) the derivation of a bimolecular charge-transfer rate, (ii) the efficient evaluation of intermolecular (outer-sphere) reorganization energies, (iii) the investigation of effects of conformational disorder on intramolecular reorganization energies or internal site energies and (iv) the inclusion of self-consistent polarization interactions for calculation of charge energies. These methods were applied to study charge transport in amorphous phases of small molecules used in the emission layer of organic light emitting diodes (OLED). When bulky substituents are attached to an aromatic core in order to adjust energy levels or prevent crystallization, a small amount of delocalization of the frontier orbital to the substituents can increase electronic couplings between neighboring molecules. This leads to improved charge-transfer rates and, hence, larger charge-mobility. We therefore suggest using the mesomeric effect (as opposed to the inductive effect) when attaching substituents to aromatic cores, which is necessary for example in deep blue OLEDs, where the energy levels of a host molecule have to be adjusted to those of the emitter. Furthermore, the energy landscape for charges in an amorphous phase cannot be predicted by mesoscopic models because they approximate the realistic morphology by a lattice and represent molecular charge distributions in a multipole expansion. The microscopic approach shows that
Transport simulations of ohmic ignition experiment: IGNITEX
International Nuclear Information System (INIS)
Uckan, N.A.; Howe, H.C.
1987-01-01
The IGNITEX device, proposed by Rosenbluth et al., is a compact, super-high-field, high-current, copper-coil tokamak envisioned to reach ignition with ohmic (OH) heating alone. Several simulations of IGNITEX were made with a 0-D global model and with the 1-D PROCTR transport code. It is shown that OH ignition is a sensitive function of the assumptions about density profile, wall reflectivity of synchrotron radiation, impurity radiation, plasma edge conditions, and additional anomalous losses. In IGNITEX, OH ignition is accessible with nearly all scalings based on favorable OH confinement (such as neo-Alcator). Also, OH ignition appears to be accessible for most (not all) L-mode scalings (such as Kaye-Goldston), provided that the density profile is not too broad (parabolic or more peaked profiles are needed), Z/sub eff/ is not too large (≤2), and anomalous radiation and alpha losses and/or other enhanced transport losses (/eta//sub i/ modes, edge convective energy losses, etc.) are not present. In IGNITEX, because the figure-of-merit parameters (aB 0 2 /q* /approximately/ IB 0 , etc.) are large, ignition can be accessed (either with OH heating alone or with the aid of a small amount of auxiliary power) at relatively low beta, far from stability limits. Once the plasma is ignited, thermal runaway is prevented naturally by a combination of increased synchrotron radiation, burnout of the fuel in the plasma core and replacement by thermal alphas, and the reduction in the thermal plasma confinement assumed in L-mode-like scalings. 12 refs., 5 figs., 1 tab
Transport simulations of ohmic ignition experiment: IGNITEX
International Nuclear Information System (INIS)
Uckan, N.A.; Howe, H.C.
1987-12-01
The IGNITEX device, proposed by Rosenbluth et al., is a compact, super-high-field, high-current, copper-coil tokamak envisioned to reach ignition with ohmic (OH) heating alone. Several simulations of IGNITEX were made with a 0-D global model and with the 1-D PROCTR transport code. It is shown that OH ignition is a sensitive function of the assumptions about density profile, wall reflectivity of synchrotron radiation, impurity radiation, plasma edge conditions, and additional anomalous losses. In IGNITEX, OH ignition is accessible with nearly all scalings based on favorable OH confinement (such as neo-Alcator). Also, OH ignition appears to be accessible for most (not all) L-mode scalings (such as Kaye-Goldston), provided that the density profile is not too broad (parabolic or more peaked profiles are needed), Z/sub eff/ is not too large, and anomalous radiation and alpha losses and/or other enhanced transport losses (eta/sub i/ modes, edge convective energy losses, etc.) are not present. In IGNITEX, because the figure-of-merit parameters are large, ignition can be accessed (either with OH heating alone or with the aid of a small amount of auxiliary power) at relatively low beta, far from stability limits. Once the plasma is ignited, thermal runaway is prevented naturally by a combination of increased synchrotron radiation, burnout of the fuel in the plasma core and replacement by thermal alphas, and the reduction in the thermal plasma confinement assumed in L-mode-like scalings. 12 refs., 5 figs., 1 tab
Biological transportation networks: Modeling and simulation
Albi, Giacomo; Artina, Marco; Foransier, Massimo; Markowich, Peter A.
2015-01-01
We present a model for biological network formation originally introduced by Cai and Hu [Adaptation and optimization of biological transport networks, Phys. Rev. Lett. 111 (2013) 138701]. The modeling of fluid transportation (e.g., leaf venation
High performance stream computing for particle beam transport simulations
International Nuclear Information System (INIS)
Appleby, R; Bailey, D; Higham, J; Salt, M
2008-01-01
Understanding modern particle accelerators requires simulating charged particle transport through the machine elements. These simulations can be very time consuming due to the large number of particles and the need to consider many turns of a circular machine. Stream computing offers an attractive way to dramatically improve the performance of such simulations by calculating the simultaneous transport of many particles using dedicated hardware. Modern Graphics Processing Units (GPUs) are powerful and affordable stream computing devices. The results of simulations of particle transport through the booster-to-storage-ring transfer line of the DIAMOND synchrotron light source using an NVidia GeForce 7900 GPU are compared to the standard transport code MAD. It is found that particle transport calculations are suitable for stream processing and large performance increases are possible. The accuracy and potential speed gains are compared and the prospects for future work in the area are discussed
SEAWAT-based simulation of axisymmetric heat transport.
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.
Sediment transport simulation in an armoured stream
Milhous, Robert T.; Bradley, Jeffrey B.; Loeffler, Cindy L.
1986-01-01
Improved methods of calculating bed material stability and transport must be developed for a gravel bed stream having an armoured surface in order to use the HEC-6 model to examine channel change. Good possibilities exist for use of a two layer model based on the Schoklitsch and the Einstein-Brown transport equations. In Einstein-Brown the D35 of the armour is used for stabilities and the D50 of the bed (sub-surface) is used for transport. Data on the armour and sub-surface size distribution needs to be obtained as part of a bed material study in a gravel bed river; a "shovel" sample is not adequate. The Meyer-Peter, Muller equation should not be applied to a gravel bed stream with an armoured surface to estimate the initiation of transport or for calculation of transport at low effective bed shear stress.
Simulation of a low energy beam transport line
International Nuclear Information System (INIS)
Yang Yao; Liu Zhanwen; Zhang Wenhui; Ma Hongyi; Zhang Xuezhen; Zhao Hongwei; Yao Ze'en
2012-01-01
A 2.45 GHz electron cyclotron resonance intense proton source and a low energy beam transport line with dual-Glaser lens were designed and fabricated by Institute of Modern Physics for a compact pulsed hadron source at Tsinghua. The intense proton beams extracted from the ion source are transported through the transport line to match the downstream radio frequency quadrupole accelerator. Particle-in-cell code BEAMPATH was used to carry out the beam transport simulations and optimize the magnetic field structures of the transport line. Emittance growth due to space charge and spherical aberrations of the Glaser lens were studied in both theory and simulation. The results show that narrow beam has smaller aberrations and better beam quality through the transport line. To better match the radio frequency quadrupole accelerator, a shorter transport line is desired with sufficient space charge neutralization. (authors)
Monte Carlo simulation of neutron transport phenomena
International Nuclear Information System (INIS)
Srinivasan, P.
2009-01-01
Neutron transport is one of the central problems in nuclear reactor related studies and other applied sciences. Some of the major applications of neutron transport include nuclear reactor design and safety, criticality safety of fissile material handling, neutron detector design and development, nuclear medicine, assessment of radiation damage to materials, nuclear well logging, forensic analysis etc. Most reactor and dosimetry studies assume that neutrons diffuse from regions of high to low density just like gaseous molecules diffuse to regions of low concentration or heat flow from high to low temperature regions. However while treatment of gaseous or heat diffusion is quite accurately modeled, treatment of neutron transport as simple diffusion is quite limited. In simple diffusion, the neutron trajectories are irregular, random and zigzag - where as in neutron transport low reaction cross sections (1 barn- 10 -24 cm 2 ) lead to long mean free paths which again depend on the nature and irregularities of the medium. Hence a more accurate representation of the neutron transport evolved based on the Boltzmann equation of kinetic gas theory. In fact the neutron transport equation is a linearized version of the Boltzmann gas equation based on neutron conservation with seven independent variables. The transport equation is difficult to solve except in simple cases amenable to numerical methods. The diffusion (equation) approximation follows from removing the angular dependence of the neutron flux
Standardization of transportation classes for object-oriented deployment simulations.
Energy Technology Data Exchange (ETDEWEB)
Burke, J. F., Jr.; Howard, D. L.; Jackson, J.; Macal, C. M.; Nevins, M. R.; Van Groningen, C. N.
1999-07-30
Many recent efforts to integrate transportation and deployment simulations, although beneficial, have lacked a feature vital for seamless integration: a common data class representation. It is an objective of the Department of Defense (DoD) to standardize all classes used in object-oriented deployment simulations by developing a standard class attribute representation and behavior for all deployment simulations that rely on an underlying class representation. The Extensive Hierarchy and Object Representation for Transportation Simulations (EXHORT) is a collection of three hierarchies that together will constitute a standard and consistent class attribute representation and behavior that could be used directly by a large set of deployment simulations. The first hierarchy is the Transportation Class Hierarchy (TCH), which describes a significant portion of the defense transportation system; the other two deal with infrastructure and resource classes. EXHORT will allow deployment simulations to use the same set of underlying class data, ensure transparent exchanges, reduce the effort needed to integrate simulations, and permit a detailed analysis of the defense transportation system. This paper describes EXHORT's first hierarchy, the TCH, and provides a rationale for why it is a helpful tool for modeling major portions of the defense transportation system.
Multimodal Transportation Simulation for Emergencies using the Link Transmission Model
van der Gun, J.P.T.
2018-01-01
Emergencies disrupting urban transportation systems cause management problems for authorities. This thesis develops simulation methods that permit analysis thereof and evaluation of candidate management plans, tested in three case studies. It formulates a methodological framework using agent-based
Solving wood chip transport problems with computer simulation.
Dennis P. Bradley; Sharon A. Winsauer
1976-01-01
Efficient chip transport operations are difficult to achieve due to frequent and often unpredictable changes in distance to market, chipping rate, time spent at the mill, and equipment costs. This paper describes a computer simulation model that allows a logger to design an efficient transport system in response to these changing factors.
Simulation of transport equations with Monte Carlo
International Nuclear Information System (INIS)
Matthes, W.
1975-09-01
The main purpose of the report is to explain the relation between the transport equation and the Monte Carlo game used for its solution. The introduction of artificial particles carrying a weight provides one with high flexibility in constructing many different games for the solution of the same equation. This flexibility opens a way to construct a Monte Carlo game for the solution of the adjoint transport equation. Emphasis is laid mostly on giving a clear understanding of what to do and not on the details of how to do a specific game
Simulated impurity transport in LHD from MIST
Energy Technology Data Exchange (ETDEWEB)
Rice, J.E. [National Inst. for Fusion Science, Toki, Gifu (Japan)
1998-05-01
The impurity transport code MIST and atomic physics package LINES are used to calculate the time evolution of charge state density profiles, individual line emissivity profiles and total radiated power profiles for impurities in LHD plasmas. Three model LHD plasmas are considered; a high density, low temperature case, a low density, high temperature case and the initial LHD start-up plasma (500 kW ECH), using impurity transport coefficient profiles from Heliotron E. The elements oxygen, neon, scandium, iron, nickel and molybdenum are considered, both injected and in steady state. (author)
Plasma confinement theory and transport simulation
International Nuclear Information System (INIS)
Ross, D.W.
1993-10-01
The objectives of the Fusion Research Center Theory Program continue to be: (1) to advance the transport studies of tokamaks, including development and maintenance of the Magnetic Fusion Energy Database; and (2) to provide theoretical interpretation, modeling and equilibrium and stability studies for the TEXT-Upgrade tokamak. Publications and reports and conference presentations for the grant period are listed. Work is described in five basic categories: A. Magnetic Fusion Energy Database; B. Computational Support and Numerical Modeling; C. Support for TEXT-Upgrade and Diagnostics; D. Transport Studies; E. Alfven Waves
Vehicle Modeling for Future Generation Transportation Simulation
2009-05-10
Recent development of inter-vehicular wireless communication technologies have motivated many innovative applications aiming at significantly increasing traffic throughput and improving highway safety. Powerful traffic simulation is an indispensable ...
The Electron Transport Chain: An Interactive Simulation
Romero, Chris; Choun, James
2014-01-01
This activity provides students an interactive demonstration of the electron transport chain and chemiosmosis during aerobic respiration. Students use simple, everyday objects as hydrogen ions and electrons and play the roles of the various proteins embedded in the inner mitochondrial membrane to show how this specific process in cellular…
Plasma confinement theory and transport simulation
Energy Technology Data Exchange (ETDEWEB)
Ross, D.W.
1992-04-01
The objectives are: (1) to advance the transport studies of tokamaks, including development and maintenance of the Magnetic Fusion Energy Database, and (2) to provide theoretical interpretation, modeling and equilibrium and stability studies for TEXT-Upgrade. Recent reports, publications, and conference presentations of the Fusion Research Center are listed.
Plasma confinement theory and transport simulation
International Nuclear Information System (INIS)
Ross, D.W.
1990-04-01
The objectives of this page are to advance the transport studies of tokamaks, including development and maintenance of the Magnetic Fusion Energy Database, and to provide theoretical interpretation and modelling for TEXT, and equilibrium and stability studies for TEXT-Upgrade
Plasma confinement theory and transport simulation
International Nuclear Information System (INIS)
Ross, D.W.
1993-02-01
The objectives continue to be: (1) to advance the transport studies of tokamaks, including development and maintenance of the Magnetic Fusion Energy Database, and (2) to provide theoretical interpretation, modeling and equilibrium and stability for TEXT-Upgrade. Recent publications and reports, and conference presentations of the Fusion Research Center theory group are listed
Hueschen, Richard M.
2011-01-01
A six degree-of-freedom, flat-earth dynamics, non-linear, and non-proprietary aircraft simulation was developed that is representative of a generic mid-sized twin-jet transport aircraft. The simulation was developed from a non-proprietary, publicly available, subscale twin-jet transport aircraft simulation using scaling relationships and a modified aerodynamic database. The simulation has an extended aerodynamics database with aero data outside the normal transport-operating envelope (large angle-of-attack and sideslip values). The simulation has representative transport aircraft surface actuator models with variable rate-limits and generally fixed position limits. The simulation contains a generic 40,000 lb sea level thrust engine model. The engine model is a first order dynamic model with a variable time constant that changes according to simulation conditions. The simulation provides a means for interfacing a flight control system to use the simulation sensor variables and to command the surface actuators and throttle position of the engine model.
Multiphasic fluid models and multicomponents reactive transport in porous media
International Nuclear Information System (INIS)
Juncosa, R.
2001-01-01
The design and construction of repositories for toxic waste, such as radioactive waste of medium and high activity, require tools, that will enable us to predict how the system will behave. The rational behind this Dissertation is based precisely on developing numerical models to study and predict coupled thermal, mechanical, hydrodynamic and geochemical behavior of clays intended to be used as engineered barriers in radioactive waste repository. In order to meet the requirements of the FEBEX Project (Full Scale Engineered Barriers Experiment) it was necessary to develop thermo-hydro-geochemical conceptual and numerical models (THG). For this purpose a THG code was developed to simulate and predict the THG behavior of the clay barrier. The code was created after considering two options. a) The development of a completely new code, or b) the coupling of existing codes. In this Dissertation we chose the second option, and developed a new program (FADES-CORE), which was obtained by using the FADES thermo-hydro-mechanical code (Navarro, 1997) and the CORE-LE code (Samper et al., 1998). This process entailed the modification of FADES, the addition of new subroutines for the calculation of solute transport, the modification of CORE-LE and the introduction of additional geochemical and transport processes. (Author)
ANALYTICAL AND SIMULATION PLANNING MODEL OF URBAN PASSENGER TRANSPORT
Directory of Open Access Journals (Sweden)
Andrey Borisovich Nikolaev
2017-09-01
Full Text Available The article described the structure of the analytical and simulation models to make informed decisions in the planning of urban passenger transport. Designed UML diagram that describes the relationship of classes of the proposed model. A description of the main agents of the model developed in the simulation AnyLogic. Designed user interface integration with GIS map. Also provides simulation results that allow concluding about her health and the possibility of its use in solving planning problems of urban passenger transport.
Particle Transport Simulation on Heterogeneous Hardware
CERN. Geneva
2014-01-01
CPUs and GPGPUs. About the speaker Vladimir Koylazov is CTO and founder of Chaos Software and one of the original developers of the V-Ray raytracing software. Passionate about 3D graphics and programming, Vlado is the driving force behind Chaos Group's software solutions. He participated in the implementation of algorithms for accurate light simulations and support for different hardware platforms, including CPU and GPGPU, as well as distributed calculat...
Type II supernovae modelisation: neutrinos transport simulation
International Nuclear Information System (INIS)
Mellor, P.
1988-10-01
A modelisation of neutrino transport in type II supernovae is presented. The first part is a description of hydrodynamics and radiative processes responsible of supernovae explosions. Macroscopic aspects of these are displayed in part two. Neutrino transport theory and usual numerical methods are also developed. A new technic of coherent scattering of neutrinos on nuclei or free nucleons is proposed in the frame work of the Lorentz bifluid approximation. This method deals with all numerical artifices (flux limiting schemes, closure relationship of Eddington moments) and allows a complete and consistent determination of the time-dependent neutrino distribution function for any value of the opacity, gradient of opacity and for all (relativistic) velocity fields of the diffusive medium. Part three is dedicated to microscopic phenomena (electronic capture, chimical composition, etc) which rule neutrinos emission-absorption mechanisms. The numerical treatments of those are presented, and some applications are useful for their parametrization. Finally, an extension of the method to inelastic scattering on light particules (electrons) is described in view to study neutrinos thermalization mechanism [fr
Quantum Transport Simulations of Nanoscale Materials
Obodo, Tobechukwu Joshua
2016-01-07
Nanoscale materials have many potential advantages because of their quantum confinement, cost and producibility by low-temperature chemical methods. Advancement of theoretical methods as well as the availability of modern high-performance supercomputers allow us to control and exploit their microscopic properties at the atomic scale, hence making it possible to design novel nanoscale molecular devices with interesting features (e.g switches, rectifiers, negative differential conductance, and high magnetoresistance). In this thesis, state-of-the-art theoretical calculations have been performed for the quantum transport properties of nano-structured materials within the framework of Density Functional Theory (DFT) and the Nonequilibrium Green\\'s Function (NEGF) formalism. The switching behavior of a dithiolated phenylene-vinylene oligomer sandwiched between Au(111) electrodes is investigated. The molecule presents a configurational bistability, which can be exploited in constructing molecular memories, switches, and sensors. We find that protonation of the terminating thiol groups is at the origin of the change in conductance. H bonding at the thiol group weakens the S-Au bond, and thus lowers the conductance. Our results allow us to re-interpret the experimental data originally attributing the conductance reduction to H dissociation. Also examined is current-induced migration of atoms in nanoscale devices that plays an important role for device operation and breakdown. We studied the migration of adatoms and defects in graphene and carbon nanotubes under finite bias. We demonstrate that current-induced forces within DFT are non-conservative, which so far has only been shown for model systems, and can lower migration barrier heights. Further, we investigated the quantum transport behavior of an experimentally observed diblock molecule by varying the amounts of phenyl (donor) and pyrimidinyl (acceptor) rings under finite bias. We show that a tandem configuration of
Oxygen transport properties estimation by DSMC-CT simulations
Energy Technology Data Exchange (ETDEWEB)
Bruno, Domenico [Istituto di Metodologie Inorganiche e dei Plasmi, Consiglio Nazionale delle Ricerche - Via G. Amendola, 122 - 70125 Bari (Italy); Frezzotti, Aldo; Ghiroldi, Gian Pietro [Dipartimento di Scienze e Tecnologie Aerospaziali, Politecnico di Milano - Via La Masa, 34 - 20156 Milano (Italy)
2014-12-09
Coupling DSMC simulations with classical trajectories calculations is emerging as a powerful tool to improve predictive capabilities of computational rarefied gas dynamics. The considerable increase of computational effort outlined in the early application of the method (Koura,1997) can be compensated by running simulations on massively parallel computers. In particular, GPU acceleration has been found quite effective in reducing computing time (Ferrigni,2012; Norman et al.,2013) of DSMC-CT simulations. The aim of the present work is to study rarefied Oxygen flows by modeling binary collisions through an accurate potential energy surface, obtained by molecular beams scattering (Aquilanti, et al.,1999). The accuracy of the method is assessed by calculating molecular Oxygen shear viscosity and heat conductivity following three different DSMC-CT simulation methods. In the first one, transport properties are obtained from DSMC-CT simulations of spontaneous fluctuation of an equilibrium state (Bruno et al, Phys. Fluids, 23, 093104, 2011). In the second method, the collision trajectory calculation is incorporated in a Monte Carlo integration procedure to evaluate the Taxman’s expressions for the transport properties of polyatomic gases (Taxman,1959). In the third, non-equilibrium zero and one-dimensional rarefied gas dynamic simulations are adopted and the transport properties are computed from the non-equilibrium fluxes of momentum and energy. The three methods provide close values of the transport properties, their estimated statistical error not exceeding 3%. The experimental values are slightly underestimated, the percentage deviation being, again, few percent.
Simulation of transportation of low enriched uranium solutions
International Nuclear Information System (INIS)
Hope, E.P.; Ades, M.J.
1996-01-01
A simulation of the transportation by truck of low enriched uranium solutions has been completed for NEPA purposes at the Savannah River Site. The analysis involves three distinct source terms, and establishes the radiological risks of shipment to three possible destinations. Additionally, loading accidents were analyzed to determine the radiological consequences of mishaps during handling and delivery. Source terms were developed from laboratory measurements of chemical samples from low enriched uranium feed materials being stored at SRS facilities, and from manufacturer data on transport containers. The transportation simulations were accomplished over the INTERNET using the DOE TRANSNET system at Sandia National Laboratory. The HIGHWAY 3.3 code was used to analyze routing scenarios, and the RADTRAN 4 code was used to analyze incident free and accident risks of transporting radiological materials. Loading accidents were assessed using the Savannah River Site AXAIR89Q and RELEASE 2 codes
Molecular electronics: insight from first-principles transport simulations.
Paulsson, Magnus; Frederiksen, Thomas; Brandbyge, Mads
2010-01-01
Conduction properties of nanoscale contacts can be studied using first-principles simulations. Such calculations give insight into details behind the conductance that is not readily available in experiments. For example, we may learn how the bonding conditions of a molecule to the electrodes affect the electronic transport. Here we describe key computational ingredients and discuss these in relation to simulations for scanning tunneling microscopy (STM) experiments with C60 molecules where the experimental geometry is well characterized. We then show how molecular dynamics simulations may be combined with transport calculations to study more irregular situations, such as the evolution of a nanoscale contact with the mechanically controllable break-junction technique. Finally we discuss calculations of inelastic electron tunnelling spectroscopy as a characterization technique that reveals information about the atomic arrangement and transport channels.
Efficient method for transport simulations in quantum cascade lasers
Directory of Open Access Journals (Sweden)
Maczka Mariusz
2017-01-01
Full Text Available An efficient method for simulating quantum transport in quantum cascade lasers is presented. The calculations are performed within a simple approximation inspired by Büttiker probes and based on a finite model for semiconductor superlattices. The formalism of non-equilibrium Green’s functions is applied to determine the selected transport parameters in a typical structure of a terahertz laser. Results were compared with those obtained for a infinite model as well as other methods described in literature.
Simulation of Chamber Transport for Heavy-Ion-Fusion Drivers
International Nuclear Information System (INIS)
Sharp, W.M.; Callahan, D.A.; Tabak, M.; Yu, S.S.; Peterson, P.F.; Rose, D.V.; Welch, D.R.
2003-01-01
The heavy-ion fusion (HIF) community recently developed a power-plant design that meets the various requirements of accelerators, final focus, chamber transport, and targets. The point design is intended to minimize physics risk and is certainly not optimal for the cost of electricity. Recent chamber-transport simulations, however, indicate that changes in the beam ion species, the convergence angle, and the emittance might allow more-economical designs
SIMULATION OF CHAMBER TRANSPORT FOR HEAVY-ION FUSION DRIVERS
International Nuclear Information System (INIS)
Sharp, W M; Callahan, D A; Tabak, M; Yu, S S; Peterson, P F; Rose, D V; Welch, D R
2004-01-01
The heavy-ion fusion (HIF) community recently developed a power-plant design that meets the various requirements of accelerators, final focus, chamber transport, and targets. The point design is intended to minimize physics risk and is certainly not optimal for the cost of electricity. Recent chamber-transport simulations, however, indicate that changes in the beam ion species, the convergence angle, and the emittance might allow more-economical designs
Mathematical simulation of sediment and radionuclide transport in estuaries
International Nuclear Information System (INIS)
Onishi, Y.; Trent, D.S.
1982-11-01
The finite element model LFESCOT (Flow, Energy, Salinity, Sediment and Contaminant Transport Model) was synthesized under this study to simulate radionuclide transport in estuaries to obtain accurate radionuclide distributions which are affected by these factors: time variance, three-dimensional flow, temperature, salinity, and sediments. Because sediment transport and radionuclide adsorption/desorption depend strongly on sizes or types of sediments, FLESCOT simulates sediment and a sediment-sorbed radionuclide for the total of three sediment-size fractions (or sediment types) of both cohesive and noncohesive sediments. It also calculates changes of estuarine bed conditions, including bed elevation changes due to sediment erosion/deposition, and three-dimensional distributions of three bed sediment sizes and sediment-sorbed radionuclides within the bed. Although the model was synthesized for radionuclide transport, it is general enough to also handle other contaminants such as heavy metals, pesticides, or toxic chemicals. The model was checked for its capability for flow, water surface elevation change, salinity, sediment and radionuclide transport under various simple conditions first, confirming the general validity of the model's computational schemes. These tests also revealed that FLESCOT can use large aspect ratios of computational cells, which are necessary in handling long estuarine study areas. After these simple tests, FLESCOT was applied to the Hudson River estuary between Chelsea and the mouth of the river to examine how well the model can predict radionuclide transport through simulating tidally influenced three-dimensional flow, salinity, sediment and radionuclide movements with their interactions
Simulation of electron thermal transport in H-mode discharges
International Nuclear Information System (INIS)
Rafiq, T.; Pankin, A. Y.; Bateman, G.; Kritz, A. H.; Halpern, F. D.
2009-01-01
Electron thermal transport in DIII-D H-mode tokamak plasmas [J. L. Luxon, Nucl. Fusion 42, 614 (2002)] is investigated by comparing predictive simulation results for the evolution of electron temperature profiles with experimental data. The comparison includes the entire profile from the magnetic axis to the bottom of the pedestal. In the simulations, carried out using the automated system for transport analysis (ASTRA) integrated modeling code, different combinations of electron thermal transport models are considered. The combinations include models for electron temperature gradient (ETG) anomalous transport and trapped electron mode (TEM) anomalous transport, as well as a model for paleoclassical transport [J. D. Callen, Nucl. Fusion 45, 1120 (2005)]. It is found that the electromagnetic limit of the Horton ETG model [W. Horton et al., Phys. Fluids 31, 2971 (1988)] provides an important contribution near the magnetic axis, which is a region where the ETG mode in the GLF23 model [R. E. Waltz et al., Phys. Plasmas 4, 2482 (1997)] is below threshold. In simulations of DIII-D discharges, the observed shape of the H-mode edge pedestal is produced when transport associated with the TEM component of the GLF23 model is suppressed and transport given by the paleoclassical model is included. In a study involving 15 DIII-D H-mode discharges, it is found that with a particular combination of electron thermal transport models, the average rms deviation of the predicted electron temperature profile from the experimental profile is reduced to 9% and the offset to -4%.
A computer code package for electron transport Monte Carlo simulation
International Nuclear Information System (INIS)
Popescu, Lucretiu M.
1999-01-01
A computer code package was developed for solving various electron transport problems by Monte Carlo simulation. It is based on condensed history Monte Carlo algorithm. In order to get reliable results over wide ranges of electron energies and target atomic numbers, specific techniques of electron transport were implemented such as: Moliere multiscatter angular distributions, Blunck-Leisegang multiscatter energy distribution, sampling of electron-electron and Bremsstrahlung individual interactions. Path-length and lateral displacement corrections algorithms and the module for computing collision, radiative and total restricted stopping powers and ranges of electrons are also included. Comparisons of simulation results with experimental measurements are finally presented. (author)
Simulation study of burning control with internal transport barrier
Energy Technology Data Exchange (ETDEWEB)
Tateishi, Gonta [Interdisciplinary Graduate School of Engineering Sciences, Kyushu University, Fukuoka (Japan); Yagi, Masatoshi; Itoh, S.I. [Kyushu Univ., Fukuoka (Japan). Research Inst. for Applied Mechanics
2000-02-01
Dynamics of burning plasma with internal transport barrier is studied by use of a one dimensional transport simulation code. Two possible mechanisms are modeled for internal transport barrier collapse. One is the collapse, which occurs above the critical pressure gradient, the impact of which is modeled by the enhancement of thermal conductivity. The other is the collapse, which occurs due to the sawtooth trigger. The extended Kadomtsev type reconnection model with multiple resonant surfaces is introduced. Both models are examined for the analysis of long time sustainment of burning. A test of profile control to mitigate the collapse is investigated. The additional circulating power to suppress thermal quench (collapse) is evaluated. (author)
Network simulation of nonstationary ionic transport through liquid junctions
International Nuclear Information System (INIS)
Castilla, J.; Horno, J.
1993-01-01
Nonstationary ionic transport across the liquid junctions has been studied using Network Thermodynamics. A network model for the time-dependent Nernst-Plack-Poisson system of equation is proposed. With this network model and the electrical circuit simulation program PSPICE, the concentrations, charge density, and electrical potentials, at short times, have been simulated for the binary system NaCl/NaCl. (Author) 13 refs
TRANSPORT OF WASTE SIMULANTS IN PJM VENT LINES
Energy Technology Data Exchange (ETDEWEB)
Qureshi, Z
2007-02-21
The experimental work was conducted to determine whether there is a potential for waste simulant to transport or 'creep' up the air link line and contaminate the pulse jet vent system, and possibly cause long term restriction of the air link line. Additionally, if simulant creep occurred, establish operating parameters for washing down the line. The amount of the addition of flush fluids and mixer downtime must be quantified.
Simulation of contaminated sediment transport in White Oak Creek basin
International Nuclear Information System (INIS)
Bao, Y.; Clapp, R.B.; Brenkert, A.L.; Moore, T.D.; Fontaine, T.A.
1995-01-01
This paper presents a systematic approach to management of the contaminated sediments in the White Oak Creek watershed at Oak Ridge National Laboratory near Oak Ridge, Tennessee. The primary contaminant of concern is radioactive cesium-137 ( 137 Cs), which binds to soil and sediment particles. The key components in the approach include an intensive sampling and monitoring system for flood events; modeling of hydrological processes, sediment transport, and contaminant flux movement; and a decision framework with a detailed human health risk analysis. Emphasis is placed on modeling of watershed rainfall-runoff and contaminated sediment transport during flooding periods using the Hydrologic Simulation Program- Fortran (HSPF) model. Because a large number of parameters are required in HSPF modeling, the major effort in the modeling process is the calibration of model parameters to make simulation results and measured values agree as closely as possible. An optimization model incorporating the concepts of an expert system was developed to improve calibration results and efficiency. Over a five-year simulation period, the simulated flows match the observed values well. Simulated total amount of sediment loads at various locations during storms match with the observed values within a factor of 1.5. Simulated annual releases of 137 Cs off-site locations match the data within a factor of 2 for the five-year period. The comprehensive modeling approach can provide a valuable tool for decision makers to quantitatively analyze sediment erosion, deposition, and transport; exposure risk related to radionuclides in contaminated sediment; and various management strategies
Simulation of muon transport through the aragats spark chamber calorimeter
International Nuclear Information System (INIS)
Asatiani, T.L.; Ter-Antonyan, S.V.
1981-01-01
The algorithm is presented of the program on simulation of muon transport through Aragats spark calorimeter. Statistic test method with account of fluctuations and angular distributions of cascade showers is used. The program is worked out on the Fortran algorithm language for EVM BESM-6 and is calibrated by experimental data of Aragats complex installation [ru
Plasma transport simulation modeling for helical confinement systems
International Nuclear Information System (INIS)
Yamazaki, K.; Amano, T.
1991-08-01
New empirical and theoretical transport models for helical confinement systems are developed based on the neoclassical transport theory including the effect of radial electric field and multi-helicity magnetic components, and the drift wave turbulence transport for electrostatic and electromagnetic modes, or the anomalous semi-empirical transport. These electron thermal diffusivities are compared with CHS (Compact Helical System) experimental data, which indicates that the central transport coefficient of the ECH plasma agrees with the neoclassical axi-symmetric value and the transport outside the half radius is anomalous. On the other hand, the transport of NBI-heated plasmas is anomalous in the whole plasma region. This anomaly is not explained by the electrostatic drift wave turbulence models in these flat-density-profile discharges. For the detailed prediction of plasma parameters in LHD (Large Helical Device), 3-D(dimensional) equilibrium/1-D transport simulations including empirical or drift wave turbulence models are carried out, which suggests that the global confinement time of LHD is determined mainly by the electron anomalous transport near the plasma edge region rather than the helical ripple transport in the core region. Even if the ripple loss can be eliminated, the increase of the global confinement is 10%. However, the rise in the central ion temperature is more than 20%. If the anomalous loss can be reduced to the half level of the present scaling, like so-called 'H-mode' of the tokamak discharge, the neoclassical ripple loss through the ion channel becomes important even in the plasma core. The 5% radial inward shift of the plasma column with respect to the major radius is effective for improving plasma confinement and raising more than 50% of the fusion product by reducing this neoclassical asymmetric ion transport loss and increasing 10% in the plasma radius. (author)
Plasma transport simulation modelling for helical confinement systems
International Nuclear Information System (INIS)
Yamazaki, K.; Amano, T.
1992-01-01
New empirical and theoretical transport models for helical confinement systems are developed on the basis of the neoclassical transport theory, including the effect of the radial electric field and of multi-helicity magnetic components as well as the drift wave turbulence transport for electrostatic and electromagnetic modes or the anomalous semi-empirical transport. These electron thermal diffusivities are compared with experimental data from the Compact Helical System which indicate that the central transport coefficient of a plasma with electron cyclotron heating agrees with neoclassical axisymmetric value and the transport outside the half-radius is anomalous. On the other hand, the transport of plasmas with neutral beam injection heating is anomalous in the whole plasma region. This anomaly is not explained by the electrostatic drift wave turbulence models in these discharges with flat density profiles. For a detailed prediction of the plasma parameters in the Large Helical Device (LHD), 3-D equilibrium/1-D transport simulations including empirical or drift wave turbulence models are performed which suggest that the global confinement time of the LHD is determined mainly by the electron anomalous transport in the plasma edge region rather than by the helical ripple transport in the core region. Even if the ripple loss can be eliminated, the increase in global confinement is 10%. However, the rise in the central ion temperature is more than 20%. If the anomalous loss can be reduced to half of the value used in the present scaling, as is the case in the H-mode of tokamak discharges, the neoclassical ripple loss through the ion channel becomes important even in the plasma core. The 5% radial inward shift of the plasma column with respect to the major radius improves the plasma confinement and increases the fusion product by more than 50% by reducing the neoclassical asymmetric ion transport loss and increasing the plasma radius (10%). (author). 32 refs, 7 figs
Energy Technology Data Exchange (ETDEWEB)
Juncosa, R [Universidad Politecnica de Madrid (Spain)
2001-07-01
The design and construction of repositories for toxic waste, such as radioactive waste of medium and high activity, require tools, that will enable us to predict how the system will behave. The rational behind this Dissertation is based precisely on developing numerical models to study and predict coupled thermal, mechanical, hydrodynamic and geochemical behavior of clays intended to be used as engineered barriers in radioactive waste repository. In order to meet the requirements of the FEBEX Project (Full Scale Engineered Barriers Experiment) it was necessary to develop thermo-hydro-geochemical conceptual and numerical models (THG). For this purpose a THG code was developed to simulate and predict the THG behavior of the clay barrier. The code was created after considering two options. (a) The development of a completely new code, or (b) the coupling of existing codes. In this Dissertation we chose the second option, and developed a new program (FADES-CORE), which was obtained by using the FADES thermo-hydro-mechanical code (Navarro, 1997) and the CORE-LE code (Samper et al., 1998). This process entailed the modification of FADES, the addition of new subroutines for the calculation of solute transport, the modification of CORE-LE and the introduction of additional geochemical and transport processes. (Author)
Computer simulation of transport driven current in tokamaks
International Nuclear Information System (INIS)
Nunan, W.J.; Dawson, J.M.
1993-01-01
Plasma transport phenomena can drive large currents parallel to an externally applied magnetic field. The Bootstrap Current Theory accounts for the effect of Banana diffusion on toroidal current, but the effect is not confined to that transport regime. The authors' 2 1/2-D, electromagnetic, particle simulations have demonstrated that Maxwellian plasmas in static toroidal and vertical fields spontaneously develop significant toroidal current, even in the absence of the open-quotes seed currentclose quotes which the Bootstrap Theory requires. Other simulations, in both toroidal and straight cylindrical geometries, and without any externally imposed electric field, show that if the plasma column is centrally fueled, and if the particle diffusion coefficient exceeds the magnetic diffusion coefficient (as is true in most tokamaks) then the toroidal current grows steadily. The simulations indicate that such fueling, coupled with central heating due to fusion reactions may drive all of the tokamak's toroidal current. The Bootstrap and dynamo mechanisms do not drive toroidal current where the poloidal magnetic field is zero. The simulations, as well as initial theoretical work, indicate that in tokamak plasmas, various processes naturally transport current from the outer regions of the plasma to the magnetic axis. The mechanisms which cause this effective electron viscosity include conventional binary collisions, wave emission and reabsorption, and also convection associated with rvec E x rvec B vortex motion. The simulations also exhibit preferential loss of particles carrying current opposing the bulk plasma current. This preferential loss generates current even at the magnetic axis. If these self-seeding mechanisms function in experiments as they do in the simulations, then transport driven current would eliminate the need for any external current drive in tokamaks, except simple ohmic heating for initial generation of the plasma
COMPARISON OF RF CAVITY TRANSPORT MODELS FOR BBU SIMULATIONS
Energy Technology Data Exchange (ETDEWEB)
Ilkyoung Shin,Byung Yunn,Todd Satogata,Shahid Ahmed
2011-03-01
The transverse focusing effect in RF cavities plays a considerable role in beam dynamics for low-energy beamline sections and can contribute to beam breakup (BBU) instability. The purpose of this analysis is to examine RF cavity models in simulation codes which will be used for BBU experiments at Jefferson Lab and improve BBU simulation results. We review two RF cavity models in the simulation codes elegant and TDBBU (a BBU simulation code developed at Jefferson Lab). elegant can include the Rosenzweig-Serafini (R-S) model for the RF focusing effect. Whereas TDBBU uses a model from the code TRANSPORT which considers the adiabatic damping effect, but not the RF focusing effect. Quantitative comparisons are discussed for the CEBAF beamline. We also compare the R-S model with the results from numerical simulations for a CEBAF-type 5-cell superconducting cavity to validate the use of the R-S model as an improved low-energy RF cavity transport model in TDBBU. We have implemented the R-S model in TDBBU. It will improve BBU simulation results to be more matched with analytic calculations and experimental results.
Comparison Of RF Cavity Transport Models For BBU Simulations
International Nuclear Information System (INIS)
Shin, Ilkyoung; Yunn, Byung; Satogata, Todd; Ahmed, Shahid
2011-01-01
The transverse focusing effect in RF cavities plays a considerable role in beam dynamics for low-energy beamline sections and can contribute to beam breakup (BBU) instability. The purpose of this analysis is to examine RF cavity models in simulation codes which will be used for BBU experiments at Jefferson Lab and improve BBU simulation results. We review two RF cavity models in the simulation codes elegant and TDBBU (a BBU simulation code developed at Jefferson Lab). elegant can include the Rosenzweig-Serafini (R-S) model for the RF focusing effect. Whereas TDBBU uses a model from the code TRANSPORT which considers the adiabatic damping effect, but not the RF focusing effect. Quantitative comparisons are discussed for the CEBAF beamline. We also compare the R-S model with the results from numerical simulations for a CEBAF-type 5-cell superconducting cavity to validate the use of the R-S model as an improved low-energy RF cavity transport model in TDBBU. We have implemented the R-S model in TDBBU. It will improve BBU simulation results to be more matched with analytic calculations and experimental results.
Simulations of reactive transport and precipitation with smoothed particle hydrodynamics
Tartakovsky, Alexandre M.; Meakin, Paul; Scheibe, Timothy D.; Eichler West, Rogene M.
2007-03-01
A numerical model based on smoothed particle hydrodynamics (SPH) was developed for reactive transport and mineral precipitation in fractured and porous materials. Because of its Lagrangian particle nature, SPH has several advantages for modeling Navier-Stokes flow and reactive transport including: (1) in a Lagrangian framework there is no non-linear term in the momentum conservation equation, so that accurate solutions can be obtained for momentum dominated flows and; (2) complicated physical and chemical processes such as surface growth due to precipitation/dissolution and chemical reactions are easy to implement. In addition, SPH simulations explicitly conserve mass and linear momentum. The SPH solution of the diffusion equation with fixed and moving reactive solid-fluid boundaries was compared with analytical solutions, Lattice Boltzmann [Q. Kang, D. Zhang, P. Lichtner, I. Tsimpanogiannis, Lattice Boltzmann model for crystal growth from supersaturated solution, Geophysical Research Letters, 31 (2004) L21604] simulations and diffusion limited aggregation (DLA) [P. Meakin, Fractals, scaling and far from equilibrium. Cambridge University Press, Cambridge, UK, 1998] model simulations. To illustrate the capabilities of the model, coupled three-dimensional flow, reactive transport and precipitation in a fracture aperture with a complex geometry were simulated.
Framework Application for Core Edge Transport Simulation (FACETS)
Energy Technology Data Exchange (ETDEWEB)
Krasheninnikov, Sergei; Pigarov, Alexander
2011-10-15
The FACETS (Framework Application for Core-Edge Transport Simulations) project of Scientific Discovery through Advanced Computing (SciDAC) Program was aimed at providing a high-fidelity whole-tokamak modeling for the U.S. magnetic fusion energy program and ITER through coupling separate components for each of the core region, edge region, and wall, with realistic plasma particles and power sources and turbulent transport simulation. The project also aimed at developing advanced numerical algorithms, efficient implicit coupling methods, and software tools utilizing the leadership class computing facilities under Advanced Scientific Computing Research (ASCR). The FACETS project was conducted by a multi-discipline, multi-institutional teams, the Lead PI was J.R. Cary (Tech-X Corp.). In the FACETS project, the Applied Plasma Theory Group at the MAE Department of UCSD developed the Wall and Plasma-Surface Interaction (WALLPSI) module, performed its validation against experimental data, and integrated it into the developed framework. WALLPSI is a one-dimensional, coarse grained, reaction/advection/diffusion code applied to each material boundary cell in the common modeling domain for a tokamak. It incorporates an advanced model for plasma particle transport and retention in the solid matter of plasma facing components, simulation of plasma heat power load handling, calculation of erosion/deposition, and simulation of synergistic effects in strong plasma-wall coupling.
Fluid and gyrokinetic simulations of impurity transport at JET
DEFF Research Database (Denmark)
Nordman, H; Skyman, A; Strand, P
2011-01-01
Impurity transport coefficients due to ion-temperature-gradient (ITG) mode and trapped-electron mode turbulence are calculated using profile data from dedicated impurity injection experiments at JET. Results obtained with a multi-fluid model are compared with quasi-linear and nonlinear gyrokinetic...... simulation results obtained with the code GENE. The sign of the impurity convective velocity (pinch) and its various contributions are discussed. The dependence of the impurity transport coefficients and impurity peaking factor −∇nZ/nZ on plasma parameters such as impurity charge number Z, ion logarithmic...
Simulation Optimization for Transportation System: A Real Case Application
Directory of Open Access Journals (Sweden)
Muhammet Enes Akpınar
2017-02-01
Full Text Available Simulation applications help decision makers to give right decisions to eliminate some problems such as: create a new firm, need some changes inside a factory; improve the process of a hospital etc. In this engineering simulation study, there are two points which are used by students to arrive at the University. Initial point is the train station and the final point is the arrival point. Students’ transportation is provided with buses. The main problem is to decide the number of buses by taking number of student into consideration. To be able to solve this real-life application PROMODEL pack software is used.
Reliability analysis of neutron transport simulation using Monte Carlo method
International Nuclear Information System (INIS)
Souza, Bismarck A. de; Borges, Jose C.
1995-01-01
This work presents a statistical and reliability analysis covering data obtained by computer simulation of neutron transport process, using the Monte Carlo method. A general description of the method and its applications is presented. Several simulations, corresponding to slowing down and shielding problems have been accomplished. The influence of the physical dimensions of the materials and of the sample size on the reliability level of results was investigated. The objective was to optimize the sample size, in order to obtain reliable results, optimizing computation time. (author). 5 refs, 8 figs
Koopmans, C.C.; Jacobs, C.G.W.
2016-01-01
This paper introduces a GIS-based model that simulates the geographic expansion of transport networks by several decision-makers with varying objectives. The model progressively adds extensions to a growing network by choosing the most attractive investments from a limited choice set. Attractiveness
ADVANCES IN COMPREHENSIVE GYROKINETIC SIMULATIONS OF TRANSPORT IN TOKAMAKS
International Nuclear Information System (INIS)
WALTZ, R. E; CANDY, J; HINTON, F. L; ESTRADA-MILA, C; KINSEY, J.E
2004-01-01
A continuum global gyrokinetic code GYRO has been developed to comprehensively simulate core turbulent transport in actual experimental profiles and enable direct quantitative comparisons to the experimental transport flows. GYRO not only treats the now standard ion temperature gradient (ITG) mode turbulence, but also treats trapped and passing electrons with collisions and finite β, equilibrium ExB shear stabilization, and all in real tokamak geometry. Most importantly the code operates at finite relative gyroradius (ρ * ) so as to treat the profile shear stabilization and nonlocal effects which can break gyroBohm scaling. The code operates in either a cyclic flux-tube limit (which allows only gyroBohm scaling) or globally with physical profile variation. Bohm scaling of DIII-D L-mode has been simulated with power flows matching experiment within error bars on the ion temperature gradient. Mechanisms for broken gyroBohm scaling, neoclassical ion flows embedded in turbulence, turbulent dynamos and profile corrugations, are illustrated
Kinetic Theory and Simulation of Single-Channel Water Transport
Tajkhorshid, Emad; Zhu, Fangqiang; Schulten, Klaus
Water translocation between various compartments of a system is a fundamental process in biology of all living cells and in a wide variety of technological problems. The process is of interest in different fields of physiology, physical chemistry, and physics, and many scientists have tried to describe the process through physical models. Owing to advances in computer simulation of molecular processes at an atomic level, water transport has been studied in a variety of molecular systems ranging from biological water channels to artificial nanotubes. While simulations have successfully described various kinetic aspects of water transport, offering a simple, unified model to describe trans-channel translocation of water turned out to be a nontrivial task.
Gyrokinetics Simulation of Energetic Particle Turbulence and Transport
Energy Technology Data Exchange (ETDEWEB)
Diamond, Patrick H.
2011-09-21
Progress in research during this year elucidated the physics of precession resonance and its interaction with radial scattering to form phase space density granulations. Momentum theorems for drift wave-zonal flow systems involving precession resonance were derived. These are directly generalizable to energetic particle modes. A novel nonlinear, subcritical growth mechanism was identified, which has now been verified by simulation. These results strengthen the foundation of our understanding of transport in burning plasmas
Gyrokinetics Simulation of Energetic Particle Turbulence and Transport
International Nuclear Information System (INIS)
Diamond, Patrick H.
2011-01-01
Progress in research during this year elucidated the physics of precession resonance and its interaction with radial scattering to form phase space density granulations. Momentum theorems for drift wave-zonal flow systems involving precession resonance were derived. These are directly generalizable to energetic particle modes. A novel nonlinear, subcritical growth mechanism was identified, which has now been verified by simulation. These results strengthen the foundation of our understanding of transport in burning plasmas
Object oriented programming in simulation of ions transport
International Nuclear Information System (INIS)
Zhang Wenyong; Wang Tongquan; Xiao Yabin; Dai Hongyi; Chen Yuzhong
2001-01-01
Using Object Oriented Programming (OOP) method can make our program more reliable and easier to read, debug, maintain and upgrade. This paper compared FORTRAN90-the language widely used in science computing with C ++ --An Object Oriented Language, and the conclusion was made that although FORTRAN90 have many deficiencies, it can be used in Object Oriented programming. Then OOP method was used in programming of Monte Carlo simulation of ions transport and the general process of OOP was given
Modeling and simulation of emergent behavior in transportation infrastructure restoration
Ojha, Akhilesh; Corns, Steven; Shoberg, Thomas G.; Qin, Ruwen; Long, Suzanna K.
2018-01-01
The objective of this chapter is to create a methodology to model the emergent behavior during a disruption in the transportation system and that calculates economic losses due to such a disruption, and to understand how an extreme event affects the road transportation network. The chapter discusses a system dynamics approach which is used to model the transportation road infrastructure system to evaluate the different factors that render road segments inoperable and calculate economic consequences of such inoperability. System dynamics models have been integrated with business process simulation model to evaluate, design, and optimize the business process. The chapter also explains how different factors affect the road capacity. After identifying the various factors affecting the available road capacity, a causal loop diagram (CLD) is created to visually represent the causes leading to a change in the available road capacity and the effects on travel costs when the available road capacity changes.
δf simulation of ion neoclassical transport
International Nuclear Information System (INIS)
Wang, W.; Nakajima, N.; Okamoto, M.; Murakami, S.
1999-07-01
Ion neoclassical transport with finite orbit width dynamics is calculated over whole poloidal cross section by using accurate δf method which employs an improved like-particle collision operator and an accurate weighting scheme to solve drift kinetic equation. Ion thermal transport near magnetic axis shows a great reduction from its conventional neoclassical level due to non-standard orbit topology, like that of previous δf simulation. On other hand, the direct particle loss from confinement region may strongly increase ion energy transport near the edge. It is found that ion parallel flow near the axis is also largely reduced due to non-standard orbit topology. In the presence of steep density gradient, ion thermal conductivity is significantly reduced, and an ion particle flux is driven by self-collision alone. (author)
Theory-based transport simulation of tokamaks: density scaling
International Nuclear Information System (INIS)
Ghanem, E.S.; Kinsey, J.; Singer, C.; Bateman, G.
1992-01-01
There has been a sizeable amount of work in the past few years using theoretically based flux-surface-average transport models to simulate various types of experimental tokamak data. Here we report two such studies, concentrating on the response of the plasma to variation of the line averaged electron density. The first study reported here uses a transport model described by Ghanem et al. to examine the response of global energy confinement time in ohmically heated discharges. The second study reported here uses a closely related and more recent transport model described by Bateman to examine the response of temperature profiles to changes in line-average density in neutral-beam-heated discharges. Work on developing a common theoretical model for these and other scaling experiments is in progress. (author) 5 refs., 2 figs
Modeling unsteady-state VOC transport in simulated waste drums
International Nuclear Information System (INIS)
Liekhus, K.J.; Gresham, G.L.; Peterson, E.S.; Rae, C.; Hotz, N.J.; Connolly, M.J.
1994-01-01
This report is a revision of an EG ampersand G Idaho informal report originally titled Modeling VOC Transport in Simulated Waste Drums. A volatile organic compound (VOC) transport model has been developed to describe unsteady-state VOC permeation and diffusion within a waste drum. Model equations account for three primary mechanisms for VOC transport from a void volume within the drum. These mechanisms are VOC permeation across a polymer boundary, VOC diffusion across an opening in a volume boundary, and VOC solubilization in a polymer boundary. A series of lab-scale experiments was performed in which the VOC concentration was measured in simulated waste drums under different conditions. A lab-scale simulated waste drum consisted of a sized-down 55-gal metal drum containing a modified rigid polyethylene drum liner. Four polyethylene bags were sealed inside a large polyethylene bag, supported by a wire cage, and placed inside the drum liner. The small bags were filled with VOC-air gas mixture and the VOC concentration was measured throughout the drum over a period of time. Test variables included the type of VOC-air gas mixtures introduced into the small bags, the small bag closure type, and the presence or absence of a variable external heat source. Model results were calculated for those trials where the permeability had been measured
Effect of Internal and Edge Transport Barriers in ITER Simulations
International Nuclear Information System (INIS)
Pianroj, Y.; Onjun, T.; Suwanna, S.; Picha, R.; Poolyarat, N.
2009-07-01
Full text: Predictive simulations of ITER with the presence of both an edge transport barrier (ETB) and an internal transport barrier (ITB) are carried out using the BALDUR integrated predictive modeling code. In these simulations, the boundary is taken at the top of the pedestal, where the pedestal values are described using the theory-based pedestal models. These pedestal temperature models are based on three different pedestal width scalings: magnetic and flow shear stabilization (δ α ρ ζ 2 ), flow shear stabilization (δ α Root ρ Rq), and normalized poloidal pressure (δ α R Root βθ, ped). The pedestal width scalings are combined with a pedestal pressure gradient scaling based on ballooning mode limit to predict the pedestal temperature. A version of the semi-empirical Mixed Bohm/gyro Bohm (Mixed B/gB) core transport model that includes ITB effects is used to compute the evolution of plasma profiles and plasma performance, which defined by Fusion Q factor. The results from the cases excluding and including ITB are compared. The preliminary results show the Q value resulted from ITB-excluded simulation is less than the one with ITB included
Discrete event simulation of Maglev transport considering traffic waves
Directory of Open Access Journals (Sweden)
Moo Hyun Cha
2014-10-01
Full Text Available A magnetically levitated vehicle (Maglev system is under commercialization as a new transportation system in Korea. The Maglev is operated by an unmanned automatic control system. Therefore, the plan of train operation should be carefully established and validated in advance. In general, when making a train operation plan, statistically predicted traffic data is used. However, a traffic wave often occurs in real train service, and demand-driven simulation technology is required to review a train operation plan and service quality considering traffic waves. We propose a method and model to simulate Maglev operation considering continuous demand changes. For this purpose, we employed a discrete event model that is suitable for modeling the behavior of railway passenger transportation. We modeled the system hierarchically using discrete event system specification (DEVS formalism. In addition, through implementation and an experiment using the DEVSim++ simulation environment, we tested the feasibility of the proposed model. Our experimental results also verified that our demand-driven simulation technology can be used for a priori review of train operation plans and strategies.
Internal transport barrier simulation and analysis in LHD
International Nuclear Information System (INIS)
GarcIa, J; Yamazaki, K; Dies, J; Izquierdo, J
2006-01-01
In order to study the electron heat transport channel and to clarify the electron thermal diffusivity dependence with some plasma parameters in large helical device (LHD) shots with electron internal transport barrier (eITB), some transport models have been added to the TOTAL code. These models can be divided into two categories: GyroBohm-like drift wave model and other drift wave models with shorter wavelength. A new model consisting of a mix of both models has also been derived for this study as a good candidate for explaining the eITB. The effect of anomalous transport reduction by the electric field shear has been introduced by means of the factor (1 + (τf ExB ) γ ) -1 . This factor has been previously checked as a good candidate to suppress anomalous transport in tokamak plasmas. Results show that a combination of the GyroBohm-like model and the drift wave model with shorter wavelength together with the electric field shear can explain the transition between non-eITB and eITB shots. The central temperature dependence with density is also well simulated. In the case of GyroBohm models, they also fit temperature profiles, although central temperature dependence with density is higher
SLC injector simulation and tuning for high charge transport
International Nuclear Information System (INIS)
Yeremian, A.D.; Miller, R.H.; Clendenin, J.E.; Early, R.A.; Ross, M.C.; Turner, J.L.; Wang, J.W.
1992-08-01
We have simulated the SLC injector from the thermionic gun through the first accelerating section and used the resulting parameters to tune the injector for optimum performance and high charge transport. Simulations are conducted using PARMELA, a three-dimensional ray-trace code with a two-dimensional space-charge model. The magnetic field profile due to the existing magnetic optics is calculated using POISSON, while SUPERFISH is used to calculate the space harmonics of the various bunchers and the accelerator cavities. The initial beam conditions in the PARMELA code are derived from the EGUN model of the gun. The resulting injector parameters from the PARMELA simulation are used to prescribe experimental settings of the injector components. The experimental results are in agreement with the results of the integrated injector model
SLC injector simulation and tuning for high charge transport
International Nuclear Information System (INIS)
Yeremian, A.D.; Miller, R.H.; Clendenin, J.E.; Early, R.A.; Ross, M.C.; Turner, J.L.; Wang, J.W.
1992-01-01
We have simulated the SLC injector from the thermionic gun through the first accelerating section and used the resulting parameters to tune the injector for optimum performance and high charge transport. Simulations are conducted using PARMELA, a three-dimensional space-charge model. The magnetic field profile due to the existing magnetic optics is calculated using POISSON, while SUPERFISH is used to calculate the space harmonics of the various bunchers and the accelerator cavities. The initial beam conditions in the PARMELA code are derived from the EGUN model of the gun. The resulting injector parameters from the PARMELA simulation are used to prescribe experimental settings of the injector components. The experimental results are in agreement with the results of the integrated injector model. (Author) 5 figs., 7 refs
Using Transport Diagnostics to Understand Chemistry Climate Model Ozone Simulations
Strahan, S. E.; Douglass, A. R.; Stolarski, R. S.; Akiyoshi, H.; Bekki, S.; Braesicke, P.; Butchart, N.; Chipperfield, M. P.; Cugnet, D.; Dhomse, S.;
2010-01-01
We demonstrate how observations of N2O and mean age in the tropical and midlatitude lower stratosphere (LS) can be used to identify realistic transport in models. The results are applied to 15 Chemistry Climate Models (CCMs) participating in the 2010 WMO assessment. Comparison of the observed and simulated N2O/mean age relationship identifies models with fast or slow circulations and reveals details of model ascent and tropical isolation. The use of this process-oriented N2O/mean age diagnostic identifies models with compensating transport deficiencies that produce fortuitous agreement with mean age. We compare the diagnosed model transport behavior with a model's ability to produce realistic LS O3 profiles in the tropics and midlatitudes. Models with the greatest tropical transport problems show the poorest agreement with observations. Models with the most realistic LS transport agree more closely with LS observations and each other. We incorporate the results of the chemistry evaluations in the SPARC CCMVal Report (2010) to explain the range of CCM predictions for the return-to-1980 dates for global (60 S-60 N) and Antarctic column ozone. Later (earlier) Antarctic return dates are generally correlated to higher (lower) vortex Cl(sub y) levels in the LS, and vortex Cl(sub y) is generally correlated with the model's circulation although model Cl(sub y) chemistry or Cl(sub y) conservation can have a significant effect. In both regions, models that have good LS transport produce a smaller range of predictions for the return-to-1980 ozone values. This study suggests that the current range of predicted return dates is unnecessarily large due to identifiable model transport deficiencies.
Simulating liquid water for determining its structural and transport properties
International Nuclear Information System (INIS)
Arismendi-Arrieta, Daniel; Medina, Juan S.; Fanourgakis, George S.; Prosmiti, Rita; Delgado-Barrio, Gerardo
2014-01-01
Molecular dynamics simulations are carried out for calculating structural and transport properties of pure liquid water, such as radial distribution functions and self-diffusion and viscosity coefficients, respectively. We employed reparameterized versions of the ab initio water potential by Niesar, Clementi and Corongiu (NCC). In order to investigate the role of the electrostatic contribution, the partial charges of the NCC model are adjusted so that to reproduce the dipole moment values of the SPC/E, SPC/Fw and TIP4P/2005 water models. The single and collective transport coefficients are obtained by employing the Green–Kubo relations at various temperatures. Additionally, in order to overcome convergence difficulties arising from the long correlation times of the stress-tensor autocorrelation functions, a previously reported fitting scheme was employed. The present results indicate that there is a significant relationship between the dipole moment value of the model, and the calculated transport coefficients. We found that by adjusting the molecular dipole moment of the NCC to the value of the TIP4P/2005, the obtained values for the self-diffusion and viscosity coefficients are in better agreement with experiment, compared to the values obtained with the original NCC model. Even though the predictions of the present model exhibits an overall correct behavior, we conclude that further improvements are still required. In order to achieve that, a careful reparameterization of the repulsion–dispersion terms of the potential model is proposed. Also, the effect of the inclusion of many-body effects such as polarizability, should also be investigated. - Highlights: ► Transport properties of liquid water are important in bio-simulations. ► Self-diffusion coefficient, shear and bulk viscosities calculations from NVE molecular dynamics simulations. ► Their comparison with experimental data provides information on intermolecular forces, and serve to develop water
Implications of Lagrangian transport for coupled chemistry-climate simulations
Stenke, A.; Dameris, M.; Grewe, V.; Garny, H.
2008-10-01
For the first time a purely Lagrangian transport algorithm is applied in a fully coupled chemistry-climate model (CCM). We use the Lagrangian scheme ATTILA for the transport of water vapour, cloud water and chemical trace species in the ECHAM4.L39(DLR)/CHEM (E39C) CCM. The advantage of the Lagrangian approach is that it is numerically non-diffusive and therefore maintains steeper and more realistic gradients than the operational semi-Lagrangian transport scheme. In case of radiatively active species changes in the simulated distributions feed back to model dynamics which in turn affect the modelled transport. The implications of the Lagrangian transport scheme for stratospheric model dynamics and tracer distributions in the upgraded model version E39C-ATTILA (E39C-A) are evaluated by comparison with observations and results of the E39C model with the operational semi-Lagrangian advection scheme. We find that several deficiencies in stratospheric dynamics in E39C seem to originate from a pronounced modelled wet bias and an associated cold bias in the extra-tropical lowermost stratosphere. The reduction of the simulated moisture and temperature bias in E39C-A leads to a significant advancement of stratospheric dynamics in terms of the mean state as well as annual and interannual variability. As a consequence of the favourable numerical characteristics of the Lagrangian transport scheme and the improved model dynamics, E39C-A generally shows more realistic stratospheric tracer distributions: Compared to E39C high stratospheric chlorine (Cly) concentrations extend further downward and agree now well with analyses derived from observations. Therefore E39C-A realistically covers the altitude of maximum ozone depletion in the stratosphere. The location of the ozonopause, i.e. the transition from low tropospheric to high stratospheric ozone values, is also clearly improved in E39C-A. Furthermore, the simulated temporal evolution of stratospheric Cly in the past is
Advancement in tritium transport simulations for solid breeding blanket system
Energy Technology Data Exchange (ETDEWEB)
Ying, Alice, E-mail: ying@fusion.ucla.edu [Mechanical and Aerospace Engineering Department, UCLA, Los Angeles, CA 90095 (United States); Zhang, Hongjie [Mechanical and Aerospace Engineering Department, UCLA, Los Angeles, CA 90095 (United States); Merrill, Brad J. [Idaho National Laboratory, Idaho Falls, ID 83415 (United States); Ahn, Mu-Young [National Fusion Research Institute, Daejeon (Korea, Republic of)
2016-11-01
In this paper, advancement on tritium transport simulations was demonstrated for a solid breeder blanket HCCR TBS, where multi-physics and detailed engineering descriptions are considered using a commercial simulation code. The physics involved includes compressible purge gas fluid flow, heat transfer, chemical reaction, isotope swamping effect, and tritium isotopes mass transport. The strategy adopted here is to develop numerical procedures and techniques that allow critical details of material, geometric and operational heterogeneity in a most complete engineering description of the TBS being incorporated into the simulation. Our application focuses on the transient assessment in view of ITER being pulsed operations. An immediate advantage is a more realistic predictive and design analysis tool accounting pulsed operations induced temperature variations which impact helium purge gas flow as well as Q{sub 2} composition concentration time and space evolutions in the breeding regions. This affords a more accurate prediction of tritium permeation into the He coolant by accounting correct temperature and partial pressure effects and realistic diffusion paths. The analysis also shows that by introducing by-pass line to accommodate ITER pulsed operations in the TES loop allows tritium extraction design being more cost effective.
ADVANCES IN COMPREHENSIVE GYROKINETIC SIMULATIONS OF TRANSPORT IN TOKAMAKS
International Nuclear Information System (INIS)
WALTZ, RE; CANDY, J; HINTON, FL; ESTRADA-MILA, C; KINSEY, JE.
2004-01-01
A continuum global gyrokinetic code GYRO has been developed to comprehensively simulate core turbulent transport in actual experimental profiles and enable direct quantitative comparisons to the experimental transport flows. GYRO not only treats the now standard ion temperature gradient (ITG) mode turbulence, but also treats trapped and passing electrons with collisions and finite β, equilibrium ExB shear stabilization, and all in real tokamak geometry. Most importantly the code operates at finite relative gyroradius (ρ * ) so as to treat the profile shear stabilization and nonlocal effects which can break gyroBohm scaling. The code operates in either a cyclic flux-tube limit (which allows only gyroBohm scaling) or a globally with physical profile variation. Rohm scaling of DIII-D L-mode has been simulated with power flows matching experiment within error bars on the ion temperature gradient. Mechanisms for broken gyroBohm scaling, neoclassical ion flows embedded in turbulence, turbulent dynamos and profile corrugations, plasma pinches and impurity flow, and simulations at fixed flow rather than fixed gradient are illustrated and discussed
Asymmetric switching in a homodimeric ABC transporter: a simulation study.
Directory of Open Access Journals (Sweden)
Jussi Aittoniemi
2010-04-01
Full Text Available ABC transporters are a large family of membrane proteins involved in a variety of cellular processes, including multidrug and tumor resistance and ion channel regulation. Advances in the structural and functional understanding of ABC transporters have revealed that hydrolysis at the two canonical nucleotide-binding sites (NBSs is co-operative and non-simultaneous. A conserved core architecture of bacterial and eukaryotic ABC exporters has been established, as exemplified by the crystal structure of the homodimeric multidrug exporter Sav1866. Currently, it is unclear how sequential ATP hydrolysis arises in a symmetric homodimeric transporter, since it implies at least transient asymmetry at the NBSs. We show by molecular dynamics simulation that the initially symmetric structure of Sav1866 readily undergoes asymmetric transitions at its NBSs in a pre-hydrolytic nucleotide configuration. MgATP-binding residues and a network of charged residues at the dimer interface are shown to form a sequence of putative molecular switches that allow ATP hydrolysis only at one NBS. We extend our findings to eukaryotic ABC exporters which often consist of two non-identical half-transporters, frequently with degeneracy substitutions at one of their two NBSs. Interestingly, many residues involved in asymmetric conformational switching in Sav1866 are substituted in degenerate eukaryotic NBS. This finding strengthens recent suggestions that the interplay of a consensus and a degenerate NBS in eukaroytic ABC proteins pre-determines the sequence of hydrolysis at the two NBSs.
Computational simulation of lithium ion transport through polymer nanocomposite membranes
International Nuclear Information System (INIS)
Moon, P.; Sandi, G.; Kizilel, R.; Stevens, D.
2003-01-01
We think of membranes as simple devices to facilitate filtration. In fact, membranes play a role in chemical, biological, and engineering processes such as catalysis, separation, and sensing by control of molecular transport and recognition. Critical factors that influence membrane discrimination properties include composition, pore size (as well as homogeneity), chemical functionalization, and electrical transport properties. There is increasing interest in using nanomaterials for the production of novel membranes due to the unique selectivity that can be achieved. Clay-polymer nanocomposites show particular promise due to their ease of manufacture (large sheets), their rigidity (self supporting), and their excellent mechanical properties. However, the process of lithium ion transport through the clay-polymer nanocomposite and mechanisms of pore size selection are poorly understood at the ionic and molecular level. In addition, manufacturing of clay-polymer nanocomposite membranes with desirable properties has proved challenging. We have built a general membrane-modeling tool (simulation system) to assist in developing improved membranes for selection, electromigration, and other electrochemical applications. Of particular interest are the recently formulated clay-polymer membranes. The transport mechanisms of the lithium ions membranes are not well understood and, therefore, they make an interesting test case for the model. In order to validate the model, we synthesized polymer nanocomposites membranes.
A simulation of heat transfer during billet transport
Energy Technology Data Exchange (ETDEWEB)
Jaklic, A.; Glogovac, B. [Institute of Metals and Technology, Ljubljana (Slovenia); Kolenko, T. [University of Ljubljana (Slovenia). Faculty of Natural Science and Technology; Zupancic, B. [University of Ljubljana (Slovenia). Faculty of Electrical Engineering; Zak, B. T. [Terming d.o.o., Ljubljana (Slovenia)
2002-07-01
This paper presents a simulation model for billet cooling during the billet's transport from the reheating furnace to the rolling mill. During the transport, the billet is exposed to radiation, convection and conduction. Due to the rectangular shape of the billet, the three-dimensional finite-difference model could be applied to calculate the heat conduction inside the billet. The billets are reheated in a gas-fired walking-beam furnace and are exposed to scaling. The model takes into account the effect of the thin oxide scale. We proved that the scale significantly affects the temperature distribution in the billet and should not be neglected. The model was verified by using a thermal camera. (author)
Transport simulations TFTR: Theoretically-based transport models and current scaling
International Nuclear Information System (INIS)
Redi, M.H.; Cummings, J.C.; Bush, C.E.; Fredrickson, E.; Grek, B.; Hahm, T.S.; Hill, K.W.; Johnson, D.W.; Mansfield, D.K.; Park, H.; Scott, S.D.; Stratton, B.C.; Synakowski, E.J.; Tang, W.M.; Taylor, G.
1991-12-01
In order to study the microscopic physics underlying observed L-mode current scaling, 1-1/2-d BALDUR has been used to simulate density and temperature profiles for high and low current, neutral beam heated discharges on TFTR with several semi-empirical, theoretically-based models previously compared for TFTR, including several versions of trapped electron drift wave driven transport. Experiments at TFTR, JET and D3-D show that I p scaling of τ E does not arise from edge modes as previously thought, and is most likely to arise from nonlocal processes or from the I p -dependence of local plasma core transport. Consistent with this, it is found that strong current scaling does not arise from any of several edge models of resistive ballooning. Simulations with the profile consistent drift wave model and with a new model for toroidal collisionless trapped electron mode core transport in a multimode formalism, lead to strong current scaling of τ E for the L-mode cases on TFTR. None of the theoretically-based models succeeded in simulating the measured temperature and density profiles for both high and low current experiments
Simulation of water movement and NaCl transport
International Nuclear Information System (INIS)
Li Xun; Zheng Zhihong; Yang Zeping
2008-01-01
Modeling of water flow and solute transport in the near-field of a high-level radioactive waste repository with TOUGH2 is done. The results show that salt accumulation in buffer material is not so significant, precipitation does not occur throughout the period covered by our simualtions. Further more, the changeable law of volumetric water content, liquid velocity and dissolved concentration of sodium chloride with simulated time or distance are attained, which is the base of understanding evolvement of near-field. (authors)
Simulation of perovskite solar cells with inorganic hole transporting materials
DEFF Research Database (Denmark)
Wang, Yan; Xia, Zhonggao; Liu, Yiming
2015-01-01
Device modeling organolead halide perovskite solar cells with planar architecture based on inorganic hole transporting materials (HTMs) were performed. A thorough understanding of the role of the inorganic HTMs and the effect of band offset between HTM/absorber layers is indispensable for further...... improvement in power conversion efficiency (PCE). Here, we investigated the effect of band offset between inorganic HTM/absorber layers. The solar cell simulation program adopted in this work is named wxAMPS, an updated version of the AMPS tool (Analysis of Microelectronic and Photonic Structure)....
Neural Networks Simulation of the Transport of Contaminants in Groundwater
Directory of Open Access Journals (Sweden)
Enrico Zio
2009-12-01
Full Text Available The performance assessment of an engineered solution for the disposal of radioactive wastes is based on mathematical models of the disposal system response to predefined accidental scenarios, within a probabilistic approach to account for the involved uncertainties. As the most significant potential pathway for the return of radionuclides to the biosphere is groundwater flow, intensive computational efforts are devoted to simulating the behaviour of the groundwater system surrounding the waste deposit, for different values of its hydrogeological parameters and for different evolution scenarios. In this paper, multilayered neural networks are trained to simulate the transport of contaminants in monodimensional and bidimensional aquifers. The results obtained in two case studies indicate that the approximation errors are within the uncertainties which characterize the input data.
Combined core/boundary layer plasma transport simulations in tokamaks
International Nuclear Information System (INIS)
Prinja, A.K.; Schafer, R.F. Jr.; Conn, R.W.; Howe, H.C.
1987-01-01
Significant new numerical results are presented from self-consistent core and boundary or scrape-off layer plasma simulations with 3-D neutral transport calculations. For a symmetric belt limiter it is shown that, for plasma conditions considered here, the pump limiter collection efficiency increases from 11% to 18% of the core efflux as a result of local reionization of blade deflected neutrals. This hitherto unobserved effect causes a significant amplification of upstream ion flux entering the pump limiter. Results from coupling of an earlier developed two-zone edge plasma model ODESSA to the PROCTR core plasma simulation code indicates that intense recycling divertor operation may not be possible because of stagnation of upstream flow velocity. This results in a self-consistent reduction of density gradient in an intermediate region between the central plasma and separatrix, and a concomitant reduction of core-efflux. There is also evidence of increased recycling at the first wall. (orig.)
Molecular simulation of adsorption and transport in hierarchical porous materials.
Coasne, Benoit; Galarneau, Anne; Gerardin, Corine; Fajula, François; Villemot, François
2013-06-25
Adsorption and transport in hierarchical porous solids with micro- (~1 nm) and mesoporosities (>2 nm) are investigated by molecular simulation. Two models of hierarchical solids are considered: microporous materials in which mesopores are carved out (model A) and mesoporous materials in which microporous nanoparticles are inserted (model B). Adsorption isotherms for model A can be described as a linear combination of the adsorption isotherms for pure mesoporous and microporous solids. In contrast, adsorption in model B departs from adsorption in pure microporous and mesoporous solids; the inserted microporous particles act as defects, which help nucleate the liquid phase within the mesopore and shift capillary condensation toward lower pressures. As far as transport under a pressure gradient is concerned, the flux in hierarchical materials consisting of microporous solids in which mesopores are carved out obeys the Navier-Stokes equation so that Darcy's law is verified within the mesopore. Moreover, the flow in such materials is larger than in a single mesopore, due to the transfer between micropores and mesopores. This nonzero velocity at the mesopore surface implies that transport in such hierarchical materials involves slippage at the mesopore surface, although the adsorbate has a strong affinity for the surface. In contrast to model A, flux in model B is smaller than in a single mesopore, as the nanoparticles act as constrictions that hinder transport. By a subtle effect arising from fast transport in the mesopores, the presence of mesopores increases the number of molecules in the microporosity in hierarchical materials and, hence, decreases the flow in the micropores (due to mass conservation). As a result, we do not observe faster diffusion in the micropores of hierarchical materials upon flow but slower diffusion, which increases the contact time between the adsorbate and the surface of the microporosity.
Optimization of a neutron detector design using adjoint transport simulation
International Nuclear Information System (INIS)
Yi, C.; Manalo, K.; Huang, M.; Chin, M.; Edgar, C.; Applegate, S.; Sjoden, G.
2012-01-01
A synthetic aperture approach has been developed and investigated for Special Nuclear Materials (SNM) detection in vehicles passing a checkpoint at highway speeds. SNM is postulated to be stored in a moving vehicle and detector assemblies are placed on the road-side or in chambers embedded below the road surface. Neutron and gamma spectral awareness is important for the detector assembly design besides high efficiencies, so that different SNMs can be detected and identified with various possible shielding settings. The detector assembly design is composed of a CsI gamma-ray detector block and five neutron detector blocks, with peak efficiencies targeting different energy ranges determined by adjoint simulations. In this study, formulations are derived using adjoint transport simulations to estimate detector efficiencies. The formulations is applied to investigate several neutron detector designs for Block IV, which has its peak efficiency in the thermal range, and Block V, designed to maximize the total neutron counts over the entire energy spectrum. Other Blocks detect different neutron energies. All five neutron detector blocks and the gamma-ray block are assembled in both MCNP and deterministic simulation models, with detector responses calculated to validate the fully assembled design using a 30-group library. The simulation results show that the 30-group library, collapsed from an 80-group library using an adjoint-weighting approach with the YGROUP code, significantly reduced the computational cost while maintaining accuracy. (authors)
Monte Carlo simulation of the turbulent transport of airborne contaminants
International Nuclear Information System (INIS)
Watson, C.W.; Barr, S.
1975-09-01
A generalized, three-dimensional Monte Carlo model and computer code (SPOOR) are described for simulating atmospheric transport and dispersal of small pollutant clouds. A cloud is represented by a large number of particles that we track by statistically sampling simulated wind and turbulence fields. These fields are based on generalized wind data for large-scale flow and turbulent energy spectra for the micro- and mesoscales. The large-scale field can be input from a climatological data base, or by means of real-time analyses, or from a separate, subjectively defined data base. We introduce the micro- and mesoscale wind fluctuations through a power spectral density, to include effects from a broad spectrum of turbulent-energy scales. The role of turbulence is simulated in both meander and dispersal. Complex flow fields and time-dependent diffusion rates are accounted for naturally, and shear effects are simulated automatically in the ensemble of particle trajectories. An important adjunct has been the development of computer-graphics displays. These include two- and three-dimensional (perspective) snapshots and color motion pictures of particle ensembles, plus running displays of differential and integral cloud characteristics. The model's versatility makes it a valuable atmospheric research tool that we can adapt easily into broader, multicomponent systems-analysis codes. Removal, transformation, dry or wet deposition, and resuspension of contaminant particles can be readily included
Hong, Jongsup
2012-07-01
Ion transport membrane (ITM) based reactors have been suggested as a novel technology for several applications including fuel reforming and oxy-fuel combustion, which integrates air separation and fuel conversion while reducing complexity and the associated energy penalty. To utilize this technology more effectively, it is necessary to develop a better understanding of the fundamental processes of oxygen transport and fuel conversion in the immediate vicinity of the membrane. In this paper, a numerical model that spatially resolves the gas flow, transport and reactions is presented. The model incorporates detailed gas phase chemistry and transport. The model is used to express the oxygen permeation flux in terms of the oxygen concentrations at the membrane surface given data on the bulk concentration, which is necessary for cases when mass transfer limitations on the permeate side are important and for reactive flow modeling. The simulation results show the dependence of oxygen transport and fuel conversion on the geometry and flow parameters including the membrane temperature, feed and sweep gas flow, oxygen concentration in the feed and fuel concentration in the sweep gas. © 2012 Elsevier B.V.
International Nuclear Information System (INIS)
Daniehl', A.V.; Dushin, V.N.
1987-01-01
The methods for simulation of neutron transport with Z<20 MeV used in the SITHA (simulation transport hadron) program, the original library of group microconstants (175 groups) with subgroup description of resonance range and a set of programs for its creation are described. The results of a number of integral experiments are discussed
IPROP simulations of the GAMBLE II proton transport experiment
International Nuclear Information System (INIS)
Welch, D.R.
1993-01-01
The author has simulated the proton transport of the 6-kA, 1-MV GAMBLE II experiment using a modified version of the IPROP particle-in-cell code. IPROP now uses a hybrid model in which plasma electrons are divided into high-energy macro particle and thermal-fluid components. This model includes open-quotes knock-onclose quotes bound-electron collision and runaway sources for high-energy electrons. Using IPROP, the authors has calculated net currents in reasonable agreement with the experiment ranging from 5-11% of the total current in pressures from 0.25-4 torr helium. In the simulations, the pinch current sample by the 1.5-cm beam was 2-3 times larger than the net current at 4 cm radius. The attenuation of net current at larger radii was the result of a highly-conductive energetic component of plasma electrons surrounding the beam. Having benchmarked IPROP against experiment, the author has examined higher-current ion beams with respect to possible transport for inertial confinement fusion
Simulations of Electron Transport in Laser Hot Spots
International Nuclear Information System (INIS)
Brunner, S.; Valeo, E.
2001-01-01
Simulations of electron transport are carried out by solving the Fokker-Planck equation in the diffusive approximation. The system of a single laser hot spot, with open boundary conditions, is systematically studied by performing a scan over a wide range of the two relevant parameters: (1) Ratio of the stopping length over the width of the hot spot. (2) Relative importance of the heating through inverse Bremsstrahlung compared to the thermalization through self-collisions. As for uniform illumination [J.P. Matte et al., Plasma Phys. Controlled Fusion 30 (1988) 1665], the bulk of the velocity distribution functions (VDFs) present a super-Gaussian dependence. However, as a result of spatial transport, the tails are observed to be well represented by a Maxwellian. A similar dependence of the distributions is also found for multiple hot spot systems. For its relevance with respect to stimulated Raman scattering, the linear Landau damping of the electron plasma wave is estimated for such VD Fs. Finally, the nonlinear Fokker-Planck simulations of the single laser hot spot system are also compared to the results obtained with the linear non-local hydrodynamic approach [A.V. Brantov et al., Phys. Plasmas 5 (1998) 2742], thus providing a quantitative limit to the latter method: The hydrodynamic approach presents more than 10% inaccuracy in the presence of temperature variations of the order delta T/T greater than or equal to 1%, and similar levels of deformation of the Gaussian shape of the Maxwellian background
Parallelization of a Monte Carlo particle transport simulation code
Hadjidoukas, P.; Bousis, C.; Emfietzoglou, D.
2010-05-01
We have developed a high performance version of the Monte Carlo particle transport simulation code MC4. The original application code, developed in Visual Basic for Applications (VBA) for Microsoft Excel, was first rewritten in the C programming language for improving code portability. Several pseudo-random number generators have been also integrated and studied. The new MC4 version was then parallelized for shared and distributed-memory multiprocessor systems using the Message Passing Interface. Two parallel pseudo-random number generator libraries (SPRNG and DCMT) have been seamlessly integrated. The performance speedup of parallel MC4 has been studied on a variety of parallel computing architectures including an Intel Xeon server with 4 dual-core processors, a Sun cluster consisting of 16 nodes of 2 dual-core AMD Opteron processors and a 200 dual-processor HP cluster. For large problem size, which is limited only by the physical memory of the multiprocessor server, the speedup results are almost linear on all systems. We have validated the parallel implementation against the serial VBA and C implementations using the same random number generator. Our experimental results on the transport and energy loss of electrons in a water medium show that the serial and parallel codes are equivalent in accuracy. The present improvements allow for studying of higher particle energies with the use of more accurate physical models, and improve statistics as more particles tracks can be simulated in low response time.
Analysis of Intelligent Transportation Systems Using Model-Driven Simulations
Directory of Open Access Journals (Sweden)
Alberto Fernández-Isabel
2015-06-01
Full Text Available Intelligent Transportation Systems (ITSs integrate information, sensor, control, and communication technologies to provide transport related services. Their users range from everyday commuters to policy makers and urban planners. Given the complexity of these systems and their environment, their study in real settings is frequently unfeasible. Simulations help to address this problem, but present their own issues: there can be unintended mistakes in the transition from models to code; their platforms frequently bias modeling; and it is difficult to compare works that use different models and tools. In order to overcome these problems, this paper proposes a framework for a model-driven development of these simulations. It is based on a specific modeling language that supports the integrated specification of the multiple facets of an ITS: people, their vehicles, and the external environment; and a network of sensors and actuators conveniently arranged and distributed that operates over them. The framework works with a model editor to generate specifications compliant with that language, and a code generator to produce code from them using platform specifications. There are also guidelines to help researchers in the application of this infrastructure. A case study on advanced management of traffic lights with cameras illustrates its use.
Advances in comprehensive gyrokinetic simulations of transport in tokamaks
International Nuclear Information System (INIS)
Waltz, R.E.; Candy, J.; Hinton, F.L.; Estrada-Mila, C.; Kinsey, J.E.
2005-01-01
A continuum global gyrokinetic code GYRO has been developed to comprehensively simulate core turbulent transport in actual experimental profiles and enable direct quantitative comparisons to the experimental transport flows. GYRO not only treats the now standard ion temperature gradient (ITG) mode turbulence, but also treats trapped and passing electrons with collisions and finite β, equilibrium ExB shear stabilization, and all in real tokamak geometry. Most importantly the code operates at finite relative gyroradius (ρ*) so as to treat the profile shear stabilization and nonlocal effects which can break gyroBohm scaling. The code operates in either a cyclic flux-tube limit (which allows only gyroBohm scaling) or globally with physical profile variation. Bohm scaling of DIII-D L-mode has been simulated with power flows matching experiment within error bars on the ion temperature gradient. Mechanisms for broken gyroBohm scaling, neoclassical ion flows embedded in turbulence, turbulent dynamos and profile corrugations, are illustrated. (author)
Simulation of internal transport barriers by means of the canonical profile transport model
International Nuclear Information System (INIS)
Dnestrovskij, Yu. N.; Cherkasov, S. V.; Dnestrovskij, A. Yu.; Lysenko, S. E.; Walsh, M. J.
2006-01-01
Models with critical gradients are widely used to describe energy balance in L-mode discharges. The so-called first critical gradient can be found from the canonical temperature profile. Here, it is suggested that discharge regimes with transport barriers can be described based on the idea of the second critical gradient. If, in a certain plasma region, the pressure gradient exceeds the second critical gradient, then the plasma bifurcates into a new state and a transport barrier forms in this region. This idea was implemented in a modified canonical profile transport model that makes it possible to describe the energy and particle balance in tokamak plasmas with arbitrary cross sections and aspect ratios. The magnitude of the second critical gradient was chosen by comparing the results calculated for several tokamak discharges with the experimental data. It is found that the second critical gradient is related to the magnetic shear s. The criterion of the transport barrier formation has the form (a 2 /r)d/drln(p/p c ) > z 0 (r), where r is the radial coordinate, a is the plasma minor radius, p is the plasma pressure, p c is the canonical pressure profile, and the dimensionless function z O (r) = C O + C 1 s (with C 0i ∼1, C 0e ∼3, and C 1i,e ∼2) describes the difference between the first and second critical gradients. Simulations show that this criterion is close to that obtained experimentally in JET. The model constructed here is used to simulate internal transport barriers in the JET, TFTR, DIII-D, and MAST tokamaks. The possible dependence of the second critical gradient on the plasma parameters is discussed
Molecular Dynamics Simulations of the Human Glucose Transporter GLUT1.
Directory of Open Access Journals (Sweden)
Min-Sun Park
Full Text Available Glucose transporters (GLUTs provide a pathway for glucose transport across membranes. Human GLUTs are implicated in devastating diseases such as heart disease, hyper- and hypo-glycemia, type 2 diabetes and cancer. The human GLUT1 has been recently crystalized in the inward-facing open conformation. However, there is no other structural information for other conformations. The X-ray structures of E. coli Xylose permease (XylE, a glucose transporter homolog, are available in multiple conformations with and without the substrates D-xylose and D-glucose. XylE has high sequence homology to human GLUT1 and key residues in the sugar-binding pocket are conserved. Here we construct a homology model for human GLUT1 based on the available XylE crystal structure in the partially occluded outward-facing conformation. A long unbiased all atom molecular dynamics simulation starting from the model can capture a new fully opened outward-facing conformation. Our investigation of molecular interactions at the interface between the transmembrane (TM domains and the intracellular helices (ICH domain in the outward- and inward-facing conformation supports that the ICH domain likely stabilizes the outward-facing conformation in GLUT1. Furthermore, inducing a conformational transition, our simulations manifest a global asymmetric rocker switch motion and detailed molecular interactions between the substrate and residues through the water-filled selective pore along a pathway from the extracellular to the intracellular side. The results presented here are consistent with previously published biochemical, mutagenesis and functional studies. Together, this study shed light on the structure and functional relationships of GLUT1 in multiple conformational states.
Confidence interval procedures for Monte Carlo transport simulations
International Nuclear Information System (INIS)
Pederson, S.P.
1997-01-01
The problem of obtaining valid confidence intervals based on estimates from sampled distributions using Monte Carlo particle transport simulation codes such as MCNP is examined. Such intervals can cover the true parameter of interest at a lower than nominal rate if the sampled distribution is extremely right-skewed by large tallies. Modifications to the standard theory of confidence intervals are discussed and compared with some existing heuristics, including batched means normality tests. Two new types of diagnostics are introduced to assess whether the conditions of central limit theorem-type results are satisfied: the relative variance of the variance determines whether the sample size is sufficiently large, and estimators of the slope of the right tail of the distribution are used to indicate the number of moments that exist. A simulation study is conducted to quantify the relationship between various diagnostics and coverage rates and to find sample-based quantities useful in indicating when intervals are expected to be valid. Simulated tally distributions are chosen to emulate behavior seen in difficult particle transport problems. Measures of variation in the sample variance s 2 are found to be much more effective than existing methods in predicting when coverage will be near nominal rates. Batched means tests are found to be overly conservative in this regard. A simple but pathological MCNP problem is presented as an example of false convergence using existing heuristics. The new methods readily detect the false convergence and show that the results of the problem, which are a factor of 4 too small, should not be used. Recommendations are made for applying these techniques in practice, using the statistical output currently produced by MCNP
Simulations of charge transport in organic light emitting diodes
International Nuclear Information System (INIS)
Martin, Simon James
2002-01-01
In this thesis, two approaches to the modelling of charge transport in organic light emitting diodes (OLEDs) are presented. The first is a drift-diffusion model, normally used when considering conventional crystalline inorganic semiconductors (e.g. Si or lll-V's) which have well defined energy bands. In this model, electron and hole transport is described using the current continuity equations and the drift-diffusion current equations, and coupled to Poisson's equation. These equations are solved with the appropriate boundary conditions, which for OLEDs are Schottky contacts; carriers are injected by thermionic emission and tunnelling. The disordered nature of the organic semiconductors is accounted for by the inclusion of field-dependent carrier mobilities and Langevin optical recombination. The second approach treats the transport of carriers in disordered organic semi-conductors as a hopping process between spatially and energetically disordered sites. This method has been used previously to account for the observed temperature and electric field dependence of carrier mobilities in disordered organic semiconductors. A hopping transport model has been developed which accounts explicitly for the structure in highly ordered films of rigid rod liquid-crystalline conjugated polymers. Chapter 2 discusses the formation of metal-semiconductor contacts, and current injection processes in OLEDs. If the barrier to carrier injection at a metal-semiconductor contact is small, or the contact is Ohmic, then the current may be space charge limited; this second limiting regime of current flow for OLEDs is also described. The remainder of Chapter 2 describes the drift-diffusion model used in this work in some detail. Chapter 3 contains results obtained from modelling the J-V characteristics of single-layer OLEDs, which are compared to experimental data in order to validate the drift-diffusion model. Chapter 4 contains results of simulating bi-layer OLEDs; rather than examining J
Simulation-based seismic loss estimation of seaport transportation system
International Nuclear Information System (INIS)
Ung Jin Na; Shinozuka, Masanobu
2009-01-01
Seaport transportation system is one of the major lifeline systems in modern society and its reliable operation is crucial for the well-being of the public. However, past experiences showed that earthquake damage to port components can severely disrupt terminal operation, and thus negatively impact on the regional economy. The main purpose of this study is to provide a methodology for estimating the effects of the earthquake on the performance of the operation system of a container terminal in seaports. To evaluate the economic loss of damaged system, an analytical framework is developed by integrating simulation models for terminal operation and fragility curves of port components in the context of seismic risk analysis. For this purpose, computerized simulation model is developed and verified with actual terminal operation records. Based on the analytical procedure to assess the seismic performance of the terminal, system fragility curves are also developed. This simulation-based loss estimation methodology can be used not only for estimating the seismically induced revenue loss but also serve as a decision-making tool to select specific seismic retrofit technique on the basis of benefit-cost analysis
The simulation status of particle transport system JPTS
International Nuclear Information System (INIS)
Deng, L.
2015-01-01
'Full text:' Particle transport system JPTS has been developed by IAPCM. It is based on the three support frustrations (JASMIN, JAUMIN and JCOGIN) and is used to simulate the reactor full core and radiation shielding problems. The system has been realized the high fidelity. In this presentation, analysis of the H-M, BEAVRS, VENUS-III and SG-III models are shown. Analyze HZP conditions of BEAVRS model with Monte Carlo code JMCT, MC21 and OpenMC to assess code accuracy against available data. Assess the feasibility of analysis of a PWR using JMCT. The large scale depletion solver is also shown. Assess the feasibility of analysis of radiation shielding using JSNT. JPTS has been proved with the capability of the full-core pin-by-pin and radiation shielding. (author)
Lead corrosion and transport in simulated secondary feedwater
Energy Technology Data Exchange (ETDEWEB)
McGarvey, G.B. [Atomic Energy of Canada Limited, Chalk River, Ontario (Canada); Ross, K.J.; McDougall, T.E. [Atomic Energy of Canada Limited, Pinawa, Manitoba (Canada); Turner, C.W. [Atomic Energy of Canada Limited, Chalk River, Ontario (Canada)
1998-07-01
The ubiquitous presence of lead at trace levels in secondary feedwater is a concern to all operators of steam generators and has prompted laboratory studies of its interaction with Inconel 600, Inconel 690, Monel 400 and Incoloy 800. Acute exposures of steam generator alloys to high levels of,lead in the laboratory and in the field have accelerated the degradation of these alloys. There is some disagreement over the role of lead when the exposure is to chronic levels. It has been proposed that most of the present degradation of steam generator tubes is due to low levels of lead although few if any failures have been experimentally linked to lead when sub-parts per billion levels are present in the feedwater. One reason for the difficulty in assigning the role of the lead is related to its possible immobilization on the surfaces of corrosion products or iron oxide films in the feedwater system. We have measured lead adsorption profiles on the three principal corrosion products in the secondary feedwater; magnetite, lepidocrocite and hematite. In all cases, essentially complete adsorption of the lead is achieved at pH values less than that of the feedwater (9-10). If lead is maintained in this adsorbed state, it may be more chemically benign than lead that is free to dissolve in the feedwater and subsequently adsorb on steam generator tube surfaces. In this paper, we report on lead adsorption onto simulated corrosion products under simulated feedwater conditions and propose a physical model for the transport and fate of lead under operating conditions. The nature of lead adsorption onto the surfaces of different corrosion products will be discussed. The desorption behaviour of lead from iron oxide surfaces following different treatment conditions will be used to propose a model for tile transport and probable fate of lead in the secondary feedwater system. (author)
Lead corrosion and transport in simulated secondary feedwater
Energy Technology Data Exchange (ETDEWEB)
McGarvey, G.B. [Atomic Energy of Canada Limited, Chalk River, Ontario (Canada); Ross, K.J.; McDougall, T.E. [Atomic Energy of Canada Limited, Pinawa, Manitoba (Canada); Turner, C.W
1999-07-01
The ubiquitous presence of lead at trace levels in secondary feedwater is a concern to all operators of steam generators and has prompted laboratory studies of its interaction with Inconel 600, Inconel 690, Monel 400 and Incoloy 800. Acute exposures of steam generator alloys to high levels of lead in the laboratory and in the field have accelerated the degradation of these alloys. There is some disagreement over the role of lead when the exposure is to chronic levels. It has been proposed that most of the present degradation of steam generator tubes is caused by low levels of lead although few, if any, failures have been experimentally linked to lead when it is present in sub-parts per billion in the feedwater. One reason for the difficulty in assigning the role of the lead is related to its possible immobilization on the surfaces of corrosion products or iron oxide films in the feedwater system. We have measured lead adsorption profiles on the 3 principal corrosion products in the secondary feedwater: magnetite, lepidocrocite and hematite. In all cases, essentially complete adsorption of the lead is achieved at pH values that are lower than the pH of the feedwater (9 to 10). If lead is maintained in this adsorbed state, it may be more chemically benign than lead that is free to dissolve in the feedwater and subsequently adsorb on steam generator tube surfaces. In this paper, we report on lead adsorption onto simulated corrosion products under simulated feedwater conditions and propose a physical model for the transport and fate of lead under operating conditions. The nature of lead adsorption onto the surfaces of different corrosion products will be discussed. The desorption behaviour of lead from iron oxide surfaces after different treatment conditions will be used to propose a model for the transport and probable fate of lead in the secondary feedwater system. (author)
Lead corrosion and transport in simulated secondary feedwater
International Nuclear Information System (INIS)
McGarvey, G.B.; Ross, K.J.; McDougall, T.E.; Turner, C.W.
1998-01-01
The ubiquitous presence of lead at trace levels in secondary feedwater is a concern to all operators of steam generators and has prompted laboratory studies of its interaction with Inconel 600, Inconel 690, Monel 400 and Incoloy 800. Acute exposures of steam generator alloys to high levels of,lead in the laboratory and in the field have accelerated the degradation of these alloys. There is some disagreement over the role of lead when the exposure is to chronic levels. It has been proposed that most of the present degradation of steam generator tubes is due to low levels of lead although few if any failures have been experimentally linked to lead when sub-parts per billion levels are present in the feedwater. One reason for the difficulty in assigning the role of the lead is related to its possible immobilization on the surfaces of corrosion products or iron oxide films in the feedwater system. We have measured lead adsorption profiles on the three principal corrosion products in the secondary feedwater; magnetite, lepidocrocite and hematite. In all cases, essentially complete adsorption of the lead is achieved at pH values less than that of the feedwater (9-10). If lead is maintained in this adsorbed state, it may be more chemically benign than lead that is free to dissolve in the feedwater and subsequently adsorb on steam generator tube surfaces. In this paper, we report on lead adsorption onto simulated corrosion products under simulated feedwater conditions and propose a physical model for the transport and fate of lead under operating conditions. The nature of lead adsorption onto the surfaces of different corrosion products will be discussed. The desorption behaviour of lead from iron oxide surfaces following different treatment conditions will be used to propose a model for tile transport and probable fate of lead in the secondary feedwater system. (author)
A mobile-mobile transport model for simulating reactive transport in connected heterogeneous fields
Lu, Chunhui; Wang, Zhiyuan; Zhao, Yue; Rathore, Saubhagya Singh; Huo, Jinge; Tang, Yuening; Liu, Ming; Gong, Rulan; Cirpka, Olaf A.; Luo, Jian
2018-05-01
Mobile-immobile transport models can be effective in reproducing heavily tailed breakthrough curves of concentration. However, such models may not adequately describe transport along multiple flow paths with intermediate velocity contrasts in connected fields. We propose using the mobile-mobile model for simulating subsurface flow and associated mixing-controlled reactive transport in connected fields. This model includes two local concentrations, one in the fast- and the other in the slow-flow domain, which predict both the concentration mean and variance. The normalized total concentration variance within the flux is found to be a non-monotonic function of the discharge ratio with a maximum concentration variance at intermediate values of the discharge ratio. We test the mobile-mobile model for mixing-controlled reactive transport with an instantaneous, irreversible bimolecular reaction in structured and connected random heterogeneous domains, and compare the performance of the mobile-mobile to the mobile-immobile model. The results indicate that the mobile-mobile model generally predicts the concentration breakthrough curves (BTCs) of the reactive compound better. Particularly, for cases of an elliptical inclusion with intermediate hydraulic-conductivity contrasts, where the travel-time distribution shows bimodal behavior, the prediction of both the BTCs and maximum product concentration is significantly improved. Our results exemplify that the conceptual model of two mobile domains with diffusive mass transfer in between is in general good for predicting mixing-controlled reactive transport, and particularly so in cases where the transfer in the low-conductivity zones is by slow advection rather than diffusion.
WASTES: Waste System Transportation and Economic Simulation--Version 2:
International Nuclear Information System (INIS)
Sovers, R.A.; Shay, M.R.; Ouderkirk, S.J.; McNair, G.W.; Eagle, B.G.
1988-02-01
The Waste System Transportation and Economic Simulation (WASTES) Technical Reference Manual was written to describe and document the algorithms used within the WASTES model as implemented in Version 2.23. The manual will serve as a reference for users of the WASTES system. The intended audience for this manual are knowledgeable users of WASTES who have an interest in the underlying principles and algorithms used within the WASTES model. Each algorithm is described in nonprogrammers terminology, and the source and uncertainties of the constants in use by these algorithms are described. The manual also describes the general philosophy and rules used to: 1) determine the allocation and priority of spent fuel generation sources to facility destinations, 2) calculate transportation costs, and 3) estimate the cost of at-reactor ex-pool storage. A detailed description of the implementation of many of the algorithms is also included in the WASTES Programmers Reference Manual (Shay and Buxbaum 1986a). This manual is separated into sections based on the general usage of the algorithms being discussed. 8 refs., 14 figs., 2 tabs
Thermal transport in semicrystalline polyethylene by molecular dynamics simulation
Lu, Tingyu; Kim, Kyunghoon; Li, Xiaobo; Zhou, Jun; Chen, Gang; Liu, Jun
2018-01-01
Recent research has highlighted the potential to achieve high-thermal-conductivity polymers by aligning their molecular chains. Combined with other merits, such as low-cost, corrosion resistance, and light weight, such polymers are attractive for heat transfer applications. Due to their quasi-one-dimensional structural nature, the understanding on the thermal transport in those ultra-drawn semicrystalline polymer fibers or films is still lacking. In this paper, we built the ideal repeating units of semicrystalline polyethylene and studied their dependence of thermal conductivity on different crystallinity and interlamellar topology using the molecular dynamics simulations. We found that the conventional models, such as the Choy-Young's model, the series model, and Takayanagi's model, cannot accurately predict the thermal conductivity of the quasi-one-dimensional semicrystalline polyethylene. A modified Takayanagi's model was proposed to explain the dependence of thermal conductivity on the bridge number at intermediate and high crystallinity. We also analyzed the heat transfer pathways and demonstrated the substantial role of interlamellar bridges in the thermal transport in the semicrystalline polyethylene. Our work could contribute to the understanding of the structure-property relationship in semicrystalline polymers and shed some light on the development of plastic heat sinks and thermal management in flexible electronics.
Gyrokinetic Particle Simulation of Turbulent Transport in Burning Plasmas
Energy Technology Data Exchange (ETDEWEB)
Diamond, P.H.; Lin, Z.; Wang, W.; Horton, W.; Klasky, S.; Decyk, V.; Ma, K.-L.; Chames, J.; Adams, M.
2011-09-21
The three-year project GPS-TTBP resulted in over 152 publications and 135 presentations. This summary focuses on the scientific progress made by the project team. A major focus of the project was on the physics intrinsic rotation in tokamaks. Progress included the first ever flux driven study of net intrinsic spin-up, mediated by boundary effects (in collaboration with CPES), detailed studies of the microphysics origins of the Rice scaling, comparative studies of symmetry breaking mechanisms, a pioneering study of intrinsic torque driven by trapped electron modes, and studies of intrinsic rotation generation as a thermodynamic engine. Validation studies were performed with C-Mod, DIII-D and CSDX. This work resulted in very successful completion of the FY2010 Theory Milestone Activity for OFES, and several prominent papers of the 2008 and 2010 IAEA Conferences. A second major focus was on the relation between zonal flow formation and transport non-locality. This culminated in the discovery of the ExB staircase - a conceptually new phenomenon. This also makes useful interdisciplinary contact with the physics of the PV staircase, well-known in oceans and atmospheres. A third topic where progress was made was in the simulation and theory of turbulence spreading. This work, now well cited, is important for understanding the dynamics of non-locality in turbulent transport. Progress was made in studies of conjectured non-diffusive transport in trapped electron turbulence. Pioneering studies of ITB formation, coupling to intrinsic rotation and hysteresis were completed. These results may be especially significant for future ITER operation. All told, the physics per dollar performance of this project was quite good. The intense focus was beneficial and SciDAC resources were essential to its success.
Effects of mixed waste simulants on transportation packaging plastic components
International Nuclear Information System (INIS)
Nigrey, P.J.; Dickens, T.G.
1994-01-01
The purpose of hazardous and radioactive materials packaging is to, enable these materials to be transported without posing a threat to the health or property of the general public. To achieve this aim, regulations have been written establishing general design requirements for such packagings. While no regulations have been written specifically for mixed waste packaging, regulations for the constituents of mixed wastes, i.e., hazardous and radioactive substances, have been codified. The design requirements for both hazardous and radioactive materials packaging specify packaging compatibility, i.e., that the materials of the packaging and any contents be chemically compatible with each other. Furthermore, Type A and Type B packaging design requirements stipulate that there be no significant chemical, galvanic, or other reaction between the materials and contents of the package. Based on these requirements, a Chemical Compatibility Testing Program was developed in the Transportation Systems Department at Sandia National Laboratories (SNL). The program, supported by the US Department of Energy's (DOE) Transportation Management Division, EM-261 provides the means to assure any regulatory body that the issue of packaging material compatibility towards hazardous and radioactive materials has been addressed. In this paper, we describe the general elements of the testing program and the experimental results of the screening tests. The implications of the results of this testing are discussed in the general context of packaging development. Additionally, we present the results of the first phase of this experimental program. This phase involved the screening of five candidate liner and six seal materials against four simulant mixed wastes
Gyrokinetic Particle Simulation of Turbulent Transport in Burning Plasmas
International Nuclear Information System (INIS)
Diamond, P.H.; Lin, Z.; Wang, W.; Horton, W.; Klasky, S.; Decyk, V.; Ma, K.-L.; Chames, J.; Adams, M.
2011-01-01
The three-year project GPS-TTBP resulted in over 152 publications and 135 presentations. This summary focuses on the scientific progress made by the project team. A major focus of the project was on the physics intrinsic rotation in tokamaks. Progress included the first ever flux driven study of net intrinsic spin-up, mediated by boundary effects (in collaboration with CPES), detailed studies of the microphysics origins of the Rice scaling, comparative studies of symmetry breaking mechanisms, a pioneering study of intrinsic torque driven by trapped electron modes, and studies of intrinsic rotation generation as a thermodynamic engine. Validation studies were performed with C-Mod, DIII-D and CSDX. This work resulted in very successful completion of the FY2010 Theory Milestone Activity for OFES, and several prominent papers of the 2008 and 2010 IAEA Conferences. A second major focus was on the relation between zonal flow formation and transport non-locality. This culminated in the discovery of the ExB staircase - a conceptually new phenomenon. This also makes useful interdisciplinary contact with the physics of the PV staircase, well-known in oceans and atmospheres. A third topic where progress was made was in the simulation and theory of turbulence spreading. This work, now well cited, is important for understanding the dynamics of non-locality in turbulent transport. Progress was made in studies of conjectured non-diffusive transport in trapped electron turbulence. Pioneering studies of ITB formation, coupling to intrinsic rotation and hysteresis were completed. These results may be especially significant for future ITER operation. All told, the physics per dollar performance of this project was quite good. The intense focus was beneficial and SciDAC resources were essential to its success.
Simulation of photon transport in a realistic human body model
International Nuclear Information System (INIS)
Baccarne, V.; Turzo, A.; Bizais, Y.; Farine, M.
1997-01-01
A Monte-Carlo photon transport code to simulate scintigraphy is developed. The scintigraphy consists of injecting a patient with a radioactive tracer (Tc, a 140 keV photon emitter) attached to a biologically active molecule. Complicated physical phenomena, photon interactions, occurring in between the radioactive source emission and the detection of the photon on the gamma-camera, require an accurate description. All these phenomena are very sensitive to the characteristics of human tissues and we had to use segmented computerized tomography slices. A preliminary theoretical study of the physical characteristics (rather badly known) of the biological tissues resulted in a two family classification: soft and bone tissues. By devising a Monte-Carlo simulator a systematic investigation was carried out concerning the relative weight of different types of interaction taking place in the traversed tissue. The importance of bone tissues was evidenced in comparison with the soft tissues, as well as the instability of these phenomena as a function of the patient morphology. These information are crucial in the elaboration and validation of correction techniques applied to the diagnosis images of clinical examinations
Exciton Transport Simulations in Phenyl Cored Thiophene Dendrimers
Kim, Kwiseon; Erkan Kose, Muhammet; Graf, Peter; Kopidakis, Nikos; Rumbles, Garry; Shaheen, Sean E.
2009-03-01
Phenyl cored 3-arm and 4-arm thiophene dendrimers are promising materials for use in photovoltaic devices. It is important to understand the energy transfer mechanisms in these molecules to guide the synthesis of novel dendrimers with improved efficiency. A method is developed to estimate the exciton diffusion lengths for the dendrimers and similar chromophores in amorphous films. The approach exploits Fermi's Golden Rule to estimate the energy transfer rates for an ensemble of bimolecular complexes in random orientations. Using Poisson's equation to evaluate Coulomb integrals led to efficient calculation of excitonic couplings between the transition densities. Monte-Carlo simulations revealed the dynamics of energy transport in the dendrimers. Experimental exciton diffusion lengths of the dendrimers range 10 ˜ 20 nm, increasing with the size of the dendrimer. Simulated diffusion lengths correlate well with experiments. The chemical structure of the chromophore, the shape of the transition densities and the exciton lifetime are found to be the most important factors that determine the exciton diffusion length in amorphous films.
A cellular automaton simulation of contaminant transport in porous media
International Nuclear Information System (INIS)
Freed, D.M.; Simonson, S.A.
1995-01-01
A simulation tool to investigate radionuclide transport in porous groundwater flow is described. The flow systems of interest are those important in determining the fate of radionuclides emplaced in an underground repository, such as saturated matrix flow, matrix and fracture flow in the unsaturated zone, and viscous fingering in porous fractures. The work discussed here is confined to consideration of saturated flow in porous media carrying a dilute, sorptive species. The simulation technique is based on a special class of cellular automata known as lattice gas automata (LGA) which are capable of predicting hydrodynamic behavior. The original two-dimensional scheme (that of Frisch et. al. known as the FHP model) used particles of unit mass traveling on a triangular lattice with unit velocity and undergoing simple collisions which conserve mass and momentum at each node. These microscopic rules go over to the incompressible Navier-Stokes equations in the macroscopic limit. One of the strengths of this technique is the natural way that heterogeneities, such as boundaries, are accommodated. Complex geometries such as those associated with porous microstructures can be modeled effectively. Several constructions based on the FHP model have been devised, including techniques to eliminate statistical noise, extension to three dimensions, and the addition of surface tension which leads to multiphase flow
Visualizing functional motions of membrane transporters with molecular dynamics simulations.
Shaikh, Saher A; Li, Jing; Enkavi, Giray; Wen, Po-Chao; Huang, Zhijian; Tajkhorshid, Emad
2013-01-29
Computational modeling and molecular simulation techniques have become an integral part of modern molecular research. Various areas of molecular sciences continue to benefit from, indeed rely on, the unparalleled spatial and temporal resolutions offered by these technologies, to provide a more complete picture of the molecular problems at hand. Because of the continuous development of more efficient algorithms harvesting ever-expanding computational resources, and the emergence of more advanced and novel theories and methodologies, the scope of computational studies has expanded significantly over the past decade, now including much larger molecular systems and far more complex molecular phenomena. Among the various computer modeling techniques, the application of molecular dynamics (MD) simulation and related techniques has particularly drawn attention in biomolecular research, because of the ability of the method to describe the dynamical nature of the molecular systems and thereby to provide a more realistic representation, which is often needed for understanding fundamental molecular properties. The method has proven to be remarkably successful in capturing molecular events and structural transitions highly relevant to the function and/or physicochemical properties of biomolecular systems. Herein, after a brief introduction to the method of MD, we use a number of membrane transport proteins studied in our laboratory as examples to showcase the scope and applicability of the method and its power in characterizing molecular motions of various magnitudes and time scales that are involved in the function of this important class of membrane proteins.
RTSTEP regional transportation simulation tool for emergency planning - final report.
Energy Technology Data Exchange (ETDEWEB)
Ley, H.; Sokolov, V.; Hope, M.; Auld, J.; Zhang, K.; Park, Y.; Kang, X. (Energy Systems)
2012-01-20
such materials over a large area, with responders trying to mitigate the immediate danger to the population in a variety of ways that may change over time (e.g., in-place evacuation, staged evacuations, and declarations of growing evacuation zones over time). In addition, available resources will be marshaled in unusual ways, such as the repurposing of transit vehicles to support mass evacuations. Thus, any simulation strategy will need to be able to address highly dynamic effects and will need to be able to handle any mode of ground transportation. Depending on the urgency and timeline of the event, emergency responders may also direct evacuees to leave largely on foot, keeping roadways as clear as possible for emergency responders, logistics, mass transport, and law enforcement. This RTSTEP project developed a regional emergency evacuation modeling tool for the Chicago Metropolitan Area that emergency responders can use to pre-plan evacuation strategies and compare different response strategies on the basis of a rather realistic model of the underlying complex transportation system. This approach is a significant improvement over existing response strategies that are largely based on experience gained from small-scale events, anecdotal evidence, and extrapolation to the scale of the assumed emergency. The new tool will thus add to the toolbox available to emergency response planners to help them design appropriate generalized procedures and strategies that lead to an improved outcome when used during an actual event.
The Application of Neutron Transport Green's Functions to Threat Scenario Simulation
Thoreson, Gregory G.; Schneider, Erich A.; Armstrong, Hirotatsu; van der Hoeven, Christopher A.
2015-02-01
Radiation detectors provide deterrence and defense against nuclear smuggling attempts by scanning vehicles, ships, and pedestrians for radioactive material. Understanding detector performance is crucial to developing novel technologies, architectures, and alarm algorithms. Detection can be modeled through radiation transport simulations; however, modeling a spanning set of threat scenarios over the full transport phase-space is computationally challenging. Previous research has demonstrated Green's functions can simulate photon detector signals by decomposing the scenario space into independently simulated submodels. This paper presents decomposition methods for neutron and time-dependent transport. As a result, neutron detector signals produced from full forward transport simulations can be efficiently reconstructed by sequential application of submodel response functions.
Verification of Gyrokinetic Particle of Turbulent Simulation of Device Size Scaling Transport
Institute of Scientific and Technical Information of China (English)
LIN Zhihong; S. ETHIER; T. S. HAHM; W. M. TANG
2012-01-01
Verification and historical perspective are presented on the gyrokinetic particle simulations that discovered the device size scaling of turbulent transport and indentified the geometry model as the source of the long-standing disagreement between gyrokinetic particle and continuum simulations.
Numerical simulation of industrial and accidental release formation and transport
Energy Technology Data Exchange (ETDEWEB)
Piskunov, V.N.; Aloyan, A.A.; Gerasimov, V.M.; Pinaev, V.S.; Golubev, A.I.; Yanilkin, Yu.V.; Ivanov, N.V.; Nikonov, S.N.; Kharchenko, A.I. [and others
1995-05-01
Statement of work for contract 006 {open_quotes}Mathematical simulation of industrial and accidental release formation and transport{close_quotes} implies that the final result of the activity within this task will be VNIIEF developed techniques which will provide for the prediction of the post-accidental environment. Report [1] presents the description of physical models and calculation techniques which were chosen by VNIIEF to accomplish this task. These techniques were analysed for their capabilities, the areas of their application were defined, modifications within contract 006 were described, the results of test and methodical calculations were presented. Moreover, the experimental data were analysed over the source parameters and contamination measurements which can be used in the comparison with the calculation results. Based an these data this report compares the calculation results obtained with VNIIEF calculation techniques with the LANL-presented experimental results. The calculations which statements and results are given in section 1, included the following processes: explosion cloud ascent dynamics and jet release origin; aerosols kinetics in the release source including composite particle origin in the explosion cloud caused by radioactive substance sorption an the soil particles; contaminant transport in atmosphere and their in-site fallout due to the accidental explosions and fires; atmospheric flow dynamics and industrial contamination transfer over the complicated terrain. The calculated results were compared with the experimental data. Section 2 presents the parameters for a typical source in the explosion accidents based an the experimental results and calculated data from Section 1, as well as contamination patterns were calculated with basic technique {open_quotes}Prognosis{close_quotes}.
Hydrogeochemistry and simulated solute transport, Piceance Basin, northwestern Colorado
Robson, S.G.; Saulnier, G.J.
1981-01-01
Oil-shale mining activities in Piceance basin in northwestern Colorado could adversely affect the ground- and surface-water quality in the basin. This study of the hydrology and geochemistry of the area used ground-water solute-transport-modeling techniques to investigate the possible impact of the mines on water quality. Maps of the extent and structure of the aquifer were prepared and show that a saturated thickness of 2,000 feet occurs in the northeast part of the basin. Ground-water recharge in the upland areas in the east, south, and west parts of the basin moves down into deeper zones in the aquifer and laterally to the discharge areas along Piceance and Yellow Creeks. The saline zone and the unsaturated zone provide the majority of the dissolved solids found in the ground water. Precipitation, ion-exchange, and oxidation-reduction reactions are also occuring in the aquifer. Model simulations of ground-water pumpage in tracts C-a and C-b indicate that the altered direction of ground-water movement near the pumped mines will cause an improvement in ground-water quality near the mines and a degradation of water quality downgradient from the tracts. Model simulations of mine leaching in tract C-a and C-b indicate that equal rates of mine leaching in the tracts will produce much different effects on the water quality in the basin. Tract C-a, by virtue of its remote location from perennial streams, will primarily degrade the ground-water quality over a large area to the northeast of the tract. Tract C-b, by contrast, will primarily degrade the surface-water quality in Piceance Creek, with only localized effects on the ground-water quality. (USGS)
Energy Technology Data Exchange (ETDEWEB)
Broisler, Paula Olhe
2007-07-01
It had been studied the effect of the ionizing radiation (gamma) in mangoes for exportation, simulating the stage of preservation of the fruit during its transport, through the refrigeration in cold chamber. In a first stage they had been analyzed through loss of weight, pH, treatable acidity, soluble solid, texture and decomposition. Later, sensorial analyses had been become fulfilled (alterations of color, odor, flavor, texture). The assays had been carried through in two stadiums of maturation of the fruits, that is, 2 and 3, with the intention of studying optimum point of harvest for the best dosage of irradiation. The results disclose together that the treatment of the mangoes Tommy Atkins in the dose of 0,75 kGy was significant, with the fruit in stadium 2, for the retardation of the matureness and consequent profit of time for the exportation. (author)
Gyrokinetic simulations of turbulent transport: size scaling and chaotic behaviour
International Nuclear Information System (INIS)
Villard, L; Brunner, S; Casati, A; Aghdam, S Khosh; Lapillonne, X; McMillan, B F; Bottino, A; Dannert, T; Goerler, T; Hatzky, R; Jenko, F; Merz, F; Chowdhury, J; Ganesh, R; Garbet, X; Grandgirard, V; Latu, G; Sarazin, Y; Idomura, Y; Jolliet, S
2010-01-01
Important steps towards the understanding of turbulent transport have been made with the development of the gyrokinetic framework for describing turbulence and with the emergence of numerical codes able to solve the set of gyrokinetic equations. This paper presents some of the main recent advances in gyrokinetic theory and computing of turbulence. Solving 5D gyrokinetic equations for each species requires state-of-the-art high performance computing techniques involving massively parallel computers and parallel scalable algorithms. The various numerical schemes that have been explored until now, Lagrangian, Eulerian and semi-Lagrangian, each have their advantages and drawbacks. A past controversy regarding the finite size effect (finite ρ * ) in ITG turbulence has now been resolved. It has triggered an intensive benchmarking effort and careful examination of the convergence properties of the different numerical approaches. Now, both Eulerian and Lagrangian global codes are shown to agree and to converge to the flux-tube result in the ρ * → 0 limit. It is found, however, that an appropriate treatment of geometrical terms is necessary: inconsistent approximations that are sometimes used can lead to important discrepancies. Turbulent processes are characterized by a chaotic behaviour, often accompanied by bursts and avalanches. Performing ensemble averages of statistically independent simulations, starting from different initial conditions, is presented as a way to assess the intrinsic variability of turbulent fluxes and obtain reliable estimates of the standard deviation. Further developments concerning non-adiabatic electron dynamics around mode-rational surfaces and electromagnetic effects are discussed.
Deterministic sensitivity analysis for the numerical simulation of contaminants transport
International Nuclear Information System (INIS)
Marchand, E.
2007-12-01
The questions of safety and uncertainty are central to feasibility studies for an underground nuclear waste storage site, in particular the evaluation of uncertainties about safety indicators which are due to uncertainties concerning properties of the subsoil or of the contaminants. The global approach through probabilistic Monte Carlo methods gives good results, but it requires a large number of simulations. The deterministic method investigated here is complementary. Based on the Singular Value Decomposition of the derivative of the model, it gives only local information, but it is much less demanding in computing time. The flow model follows Darcy's law and the transport of radionuclides around the storage site follows a linear convection-diffusion equation. Manual and automatic differentiation are compared for these models using direct and adjoint modes. A comparative study of both probabilistic and deterministic approaches for the sensitivity analysis of fluxes of contaminants through outlet channels with respect to variations of input parameters is carried out with realistic data provided by ANDRA. Generic tools for sensitivity analysis and code coupling are developed in the Caml language. The user of these generic platforms has only to provide the specific part of the application in any language of his choice. We also present a study about two-phase air/water partially saturated flows in hydrogeology concerning the limitations of the Richards approximation and of the global pressure formulation used in petroleum engineering. (author)
Simulation of water transport through a lipid membrane
Energy Technology Data Exchange (ETDEWEB)
Marrink, S.J.; Berendsen, H.J.C. (Univ. of Groningen (Netherlands))
1994-04-14
To obtain insight in the process of water permeation through a lipid membrane we performed molecular dynamics simulations on a phospholipid (DPPC)/water system with atomic detail. Since the actual process of permeation is too slow to be studied directly, we deduced the permeation rate indirectly via computation of the free energy and diffusion rate profiles of a water molecule across the bilayer. We concluded that the permeation of water through a lipid membrane cannot be described adequately by a simple homogeneous solubility-diffusion model. Both the excess free energy and the diffusion rate strongly depend on the position in the membrane, as a result from the inhomogeneous nature of the membrane. The calculated excess free energy profile has a shallow slope and a maximum height of 26 kJ/mol. The diffusion rate is highest in the middle of the membrane where the lipid density is low. In the interfacial region almost all water molecules are bound by the lipid headgroups, and the diffusion turns out to be 1 order of magnitude smaller. The total transport process is essentially determined by the free energy barrier. 78 refs., 12 figs.
Minimization for conditional simulation: Relationship to optimal transport
Oliver, Dean S.
2014-05-01
In this paper, we consider the problem of generating independent samples from a conditional distribution when independent samples from the prior distribution are available. Although there are exact methods for sampling from the posterior (e.g. Markov chain Monte Carlo or acceptance/rejection), these methods tend to be computationally demanding when evaluation of the likelihood function is expensive, as it is for most geoscience applications. As an alternative, in this paper we discuss deterministic mappings of variables distributed according to the prior to variables distributed according to the posterior. Although any deterministic mappings might be equally useful, we will focus our discussion on a class of algorithms that obtain implicit mappings by minimization of a cost function that includes measures of data mismatch and model variable mismatch. Algorithms of this type include quasi-linear estimation, randomized maximum likelihood, perturbed observation ensemble Kalman filter, and ensemble of perturbed analyses (4D-Var). When the prior pdf is Gaussian and the observation operators are linear, we show that these minimization-based simulation methods solve an optimal transport problem with a nonstandard cost function. When the observation operators are nonlinear, however, the mapping of variables from the prior to the posterior obtained from those methods is only approximate. Errors arise from neglect of the Jacobian determinant of the transformation and from the possibility of discontinuous mappings.
Simulation of radionuclide transport in U.S. agriculture
International Nuclear Information System (INIS)
Sharp, R.D.; Baes, C.F. III.
1982-01-01
Because of the recent concern about the impact of energy technologies on man and related health effects, there has emerged a need for models to calculate or predict the effects of radionuclides on man. A general overview is presented of a model that calculates the ingrowth of radionuclides into man's food chain. The FORTRAN IV computer program TERRA, Transport of Environmentally Released Radionuclides in Agriculture, simulates the build-up of radionuclides in soil, four plant food compartments, in meat and milk from beef, and in the livestock food compartments that cause radionuclide build-up in milk and meat from beef. A large data set of spatially oriented parameters has been developed in conjunction with TERRA. This direct-access data set is called SITE, Specific Information on the Terrestrial Environment, and contains 35 parameters for each of 3525 half-degree longitude-latitude cells which define the lower 48 states. TERRA and SITE are used together as a package for determining radionuclide concentrations in man's food anywhere within the conterminous 48 states due to atmospheric releases
A simulation model for intermodal freight transportation in Louisiana.
2015-01-01
With increased emphasis on intermodal transportation development, the issue of how to evaluate an intermodal freight transportation system and provide intermodal solutions has been receiving intensive attention. In order to improve freight flow effic...
Simulation of Tracer Transport in Porous Media: Application to Bentonites
International Nuclear Information System (INIS)
Bru, A.; Casero, D.
2001-01-01
We present a formal framework to describe tracer transport in heterogeneous media, such as porous media like bentonites. In these media, mean field approximation is not valid because there exist some geometrical constraints and the transport is anomalous. (Author)
Jacobs-Crisioni, C.; Koopmans, C. C.
2016-07-01
This paper introduces a GIS-based model that simulates the geographic expansion of transport networks by several decision-makers with varying objectives. The model progressively adds extensions to a growing network by choosing the most attractive investments from a limited choice set. Attractiveness is defined as a function of variables in which revenue and broader societal benefits may play a role and can be based on empirically underpinned parameters that may differ according to private or public interests. The choice set is selected from an exhaustive set of links and presumably contains those investment options that best meet private operator's objectives by balancing the revenues of additional fare against construction costs. The investment options consist of geographically plausible routes with potential detours. These routes are generated using a fine-meshed regularly latticed network and shortest path finding methods. Additionally, two indicators of the geographic accuracy of the simulated networks are introduced. A historical case study is presented to demonstrate the model's first results. These results show that the modelled networks reproduce relevant results of the historically built network with reasonable accuracy.
International Nuclear Information System (INIS)
Kling, A.; Barao, F.J.C.; Nakagawa, M.; Tavora, L.
2001-01-01
The following topics were dealt with: Electron and photon interactions and transport mechanisms, random number generation, applications in medical physisc, microdosimetry, track structure, radiobiological modeling, Monte Carlo method in radiotherapy, dosimetry, and medical accelerator simulation, neutron transport, high-energy hadron transport. (HSI)
Framework Application for Core Edge Transport Simulation (FACETS)
Energy Technology Data Exchange (ETDEWEB)
Malony, Allen D; Shende, Sameer S; Huck, Kevin A; Mr. Alan Morris, and Mr. Wyatt Spear
2012-03-14
The goal of the FACETS project (Framework Application for Core-Edge Transport Simulations) was to provide a multiphysics, parallel framework application (FACETS) that will enable whole-device modeling for the U.S. fusion program, to provide the modeling infrastructure needed for ITER, the next step fusion confinement device. Through use of modern computational methods, including component technology and object oriented design, FACETS is able to switch from one model to another for a given aspect of the physics in a flexible manner. This enables use of simplified models for rapid turnaround or high-fidelity models that can take advantage of the largest supercomputer hardware. FACETS does so in a heterogeneous parallel context, where different parts of the application execute in parallel by utilizing task farming, domain decomposition, and/or pipelining as needed and applicable. ParaTools, Inc. was tasked with supporting the performance analysis and tuning of the FACETS components and framework in order to achieve the parallel scaling goals of the project. The TAU Performance System® was used for instrumentation, measurement, archiving, and profile / tracing analysis. ParaTools, Inc. also assisted in FACETS performance engineering efforts. Through the use of the TAU Performance System, ParaTools provided instrumentation, measurement, analysis and archival support for the FACETS project. Performance optimization of key components has yielded significant performance speedups. TAU was integrated into the FACETS build for both the full coupled application and the UEDGE component. The performance database provided archival storage of the performance regression testing data generated by the project, and helped to track improvements in the software development.
Simulation of neutron transport equation using parallel Monte Carlo for deep penetration problems
International Nuclear Information System (INIS)
Bekar, K. K.; Tombakoglu, M.; Soekmen, C. N.
2001-01-01
Neutron transport equation is simulated using parallel Monte Carlo method for deep penetration neutron transport problem. Monte Carlo simulation is parallelized by using three different techniques; direct parallelization, domain decomposition and domain decomposition with load balancing, which are used with PVM (Parallel Virtual Machine) software on LAN (Local Area Network). The results of parallel simulation are given for various model problems. The performances of the parallelization techniques are compared with each other. Moreover, the effects of variance reduction techniques on parallelization are discussed
International Nuclear Information System (INIS)
Ellison, P.G.; Monson, P.R.; Mitchell, H.A.
1990-01-01
This paper describes in the needs and requirements to properly and efficiently model fission product transport on full scope reactor simulators. Current LWR simulators can be easily adapted to model severe accident phenomena and the transport of radionuclides. Once adapted these simulators can be used as a training tool during operator training exercises for training on severe accident guidelines, for training on containment venting procedures, or as training tool during site wide emergency training exercises
Theory and simulation of charge transport in disordered organic semiconductors
Bobbert, P.A.; Kondov, I.; Sutman, G.
2013-01-01
Charge transport in polymeric or small-molecule organic semiconductors used in organic light-emitting diodes (OLEDs) occurs by hopping of charges between sites at which the charges are localized. The energetic disorder in these semiconductors has a profound influence on the charge transport: charges
Public transport traffic management systems simulation in Craiova city
Energy Technology Data Exchange (ETDEWEB)
Racila, L.
2016-07-01
Urban transport is a comprehensive and dynamic mechanism. Therefore, all the problems for improving and reorganization of the system can be examined only in the light of a systemic approach. Currently, public passenger transport is one of the most important branches of the urban development in cities and metropolis. Public passenger transport activity and all the steps taken to improve that activity are considered to be of great social importance. In the current stage of city development, one of the main tasks is to create a public passenger transportation system that is safe, affordable, economical, reliable and environmentally friendly. The important role of passenger transport in the city's economy and achieving important social services to the population, dictates the need to introduce measures in the system that are harmonious, balanced and effective. This can only be done, in the context of current development, only after the system as a whole is tested extensively through special traffic and management software. (Author)
Simulation of noise-assisted transport via optical cavity networks
International Nuclear Information System (INIS)
Caruso, Filippo; Plenio, Martin B.; Spagnolo, Nicolo; Vitelli, Chiara; Sciarrino, Fabio
2011-01-01
Recently, the presence of noise has been found to play a key role in assisting the transport of energy and information in complex quantum networks and even in biomolecular systems. Here we propose an experimentally realizable optical network scheme for the demonstration of the basic mechanisms underlying noise-assisted transport. The proposed system consists of a network of coupled quantum-optical cavities, injected with a single photon, whose transmission efficiency can be measured. Introducing dephasing in the photon path, this system exhibits a characteristic enhancement of the transport efficiency that can be observed with presently available technology.
Surrogate model approach for improving the performance of reactive transport simulations
Jatnieks, Janis; De Lucia, Marco; Sips, Mike; Dransch, Doris
2016-04-01
Reactive transport models can serve a large number of important geoscientific applications involving underground resources in industry and scientific research. It is common for simulation of reactive transport to consist of at least two coupled simulation models. First is a hydrodynamics simulator that is responsible for simulating the flow of groundwaters and transport of solutes. Hydrodynamics simulators are well established technology and can be very efficient. When hydrodynamics simulations are performed without coupled geochemistry, their spatial geometries can span millions of elements even when running on desktop workstations. Second is a geochemical simulation model that is coupled to the hydrodynamics simulator. Geochemical simulation models are much more computationally costly. This is a problem that makes reactive transport simulations spanning millions of spatial elements very difficult to achieve. To address this problem we propose to replace the coupled geochemical simulation model with a surrogate model. A surrogate is a statistical model created to include only the necessary subset of simulator complexity for a particular scenario. To demonstrate the viability of such an approach we tested it on a popular reactive transport benchmark problem that involves 1D Calcite transport. This is a published benchmark problem (Kolditz, 2012) for simulation models and for this reason we use it to test the surrogate model approach. To do this we tried a number of statistical models available through the caret and DiceEval packages for R, to be used as surrogate models. These were trained on randomly sampled subset of the input-output data from the geochemical simulation model used in the original reactive transport simulation. For validation we use the surrogate model to predict the simulator output using the part of sampled input data that was not used for training the statistical model. For this scenario we find that the multivariate adaptive regression splines
VS2DRTI: Simulating Heat and Reactive Solute Transport in Variably Saturated Porous Media.
Healy, Richard W; Haile, Sosina S; Parkhurst, David L; Charlton, Scott R
2018-01-29
Variably saturated groundwater flow, heat transport, and solute transport are important processes in environmental phenomena, such as the natural evolution of water chemistry of aquifers and streams, the storage of radioactive waste in a geologic repository, the contamination of water resources from acid-rock drainage, and the geologic sequestration of carbon dioxide. Up to now, our ability to simulate these processes simultaneously with fully coupled reactive transport models has been limited to complex and often difficult-to-use models. To address the need for a simple and easy-to-use model, the VS2DRTI software package has been developed for simulating water flow, heat transport, and reactive solute transport through variably saturated porous media. The underlying numerical model, VS2DRT, was created by coupling the flow and transport capabilities of the VS2DT and VS2DH models with the equilibrium and kinetic reaction capabilities of PhreeqcRM. Flow capabilities include two-dimensional, constant-density, variably saturated flow; transport capabilities include both heat and multicomponent solute transport; and the reaction capabilities are a complete implementation of geochemical reactions of PHREEQC. The graphical user interface includes a preprocessor for building simulations and a postprocessor for visual display of simulation results. To demonstrate the simulation of multiple processes, the model is applied to a hypothetical example of injection of heated waste water to an aquifer with temperature-dependent cation exchange. VS2DRTI is freely available public domain software. © 2018, National Ground Water Association.
Computer simulation of superthermal transport for laser fusion
International Nuclear Information System (INIS)
Kershaw, D.S.
1979-01-01
The relativistic multigroup diffusion equations describing superthermal electron transport in laser fusion plasmas were derived in an earlier UCRL. A successful numerical scheme based on these equations which is now being used to model laser fusion experiments is described
Encouraging alternative transportation behavior among baby boomers via simulations.
2013-04-01
Due to disruptions prompted by changing demographic patterns, aging infrastructure, and a : growing green culture New England states have been at the forefront of searching for options : to encourage sustainable transportation alternatives. How...
TEMPEST simulations of the plasma transport in a single-null tokamak geometry
International Nuclear Information System (INIS)
Xu, X.Q.; Cohen, R.H.; Rognlien, T.D.; Bodi, K.; Krasheninnikov, S.
2010-01-01
We present edge kinetic ion transport simulations of tokamak plasmas in magnetic divertor geometry using the fully nonlinear (full-f) continuum code TEMPEST. Besides neoclassical transport, a term for divergence of anomalous kinetic radial flux is added to mock up the effect of turbulent transport. To study the relative roles of neoclassical and anomalous transport, TEMPEST simulations were carried out for plasma transport and flow dynamics in a single-null tokamak geometry, including the pedestal region that extends across the separatrix into the scrape-off layer and private flux region. A series of TEMPEST simulations were conducted to investigate the transition of midplane pedestal heat flux and flow from the neoclassical to the turbulent limit and the transition of divertor heat flux and flow from the kinetic to the fluid regime via an anomalous transport scan and a density scan. The TEMPEST simulation results demonstrate that turbulent transport (as modelled by large diffusion) plays a similar role to collisional decorrelation of particle orbits and that the large turbulent transport (large diffusion) leads to an apparent Maxwellianization of the particle distribution. We also show the transition of parallel heat flux and flow at the entrance to the divertor plates from the fluid to the kinetic regime. For an absorbing divertor plate boundary condition, a non-half-Maxwellian is found due to the balance between upstream radial anomalous transport and energetic ion endloss.
Accelerated Simulation of Kinetic Transport Using Variational Principles and Sparsity
Energy Technology Data Exchange (ETDEWEB)
Caflisch, Russel [Univ. of California, Los Angeles, CA (United States)
2017-06-30
This project is centered on the development and application of techniques of sparsity and compressed sensing for variational principles, PDEs and physics problems, in particular for kinetic transport. This included derivation of sparse modes for elliptic and parabolic problems coming from variational principles. The research results of this project are on methods for sparsity in differential equations and their applications and on application of sparsity ideas to kinetic transport of plasmas.
Vehicle Technology Simulation and Analysis Tools | Transportation Research
Analysis Tools NREL developed the following modeling, simulation, and analysis tools to investigate novel design goals (e.g., fuel economy versus performance) to find cost-competitive solutions. ADOPT Vehicle Simulator to analyze the performance and fuel economy of conventional and advanced light- and
International Nuclear Information System (INIS)
Rockhold, M.L.
1993-02-01
A field-scale, unsaturated flow and solute transport experiment at the Las Cruces trench site in New Mexico was simulated as part of a ''blind'' modeling exercise to demonstrate the ability or inability of uncalibrated models to predict unsaturated flow and solute transport in spatially variable porous media. Simulations were conducted using a recently developed multiphase flow and transport simulator. Uniform and heterogeneous soil models were tested, and data from a previous experiment at the site were used with an inverse procedure to estimate water retention parameters. A spatial moment analysis was used to provide a quantitative basis for comparing the mean observed and simulated flow and transport behavior. The results of this study suggest that defensible predictions of waste migration and fate at low-level waste sites will ultimately require site-specific data for model calibration
International Nuclear Information System (INIS)
Ding Yinfeng; Zhang Zhibin; Ke Xuezhi; Zhu Zhiyuan; Zhu Dezhang; Wang Zhenxia; Xu Hongjie
2005-01-01
The single carbon atom transporting through the single-walled carbon nanotube has been studied by molecular-dynamics (MD) simulation. We got different trajectories of the carbon atom by changing the input parameters. The simulation results indicate that the single carbon atom with low energy can transport through the carbon nanotube under some input conditions and result in different trajectories being straight line or 'rosette' or circular. (authors)
Pesticide transport simulation in a tropical catchment by SWAT
International Nuclear Information System (INIS)
Bannwarth, M.A.; Sangchan, W.; Hugenschmidt, C.; Lamers, M.; Ingwersen, J.; Ziegler, A.D.; Streck, T.
2014-01-01
The application of agrochemicals in Southeast Asia is increasing in rate, variety and toxicity with alarming speed. Understanding the behavior of these different contaminants within the environment require comprehensive monitoring programs as well as accurate simulations with hydrological models. We used the SWAT hydrological model to simulate the fate of three different pesticides, one of each usage type (herbicide, fungicide and insecticide) in a mountainous catchment in Northern Thailand. Three key parameters were identified: the sorption coefficient, the decay coefficient and the coefficient controlling pesticide percolation. We yielded satisfactory results simulating pesticide load dynamics during the calibration period (NSE: 0.92–0.67); the results during the validation period were also acceptable (NSE: 0.61–0.28). The results of this study are an important step in understanding the modeling behavior of these pesticides in SWAT and will help to identify thresholds of worst-case scenarios in order to assess the risk for the environment. - Highlights: • We performed a global LH-sensitivity analysis of all pesticide related parameters. • Key physical parameters are associated to percolation, degradation and sorption. • We simulated the measured loads of three different pesticides. • We performed an uncertainty analysis of all pesticide simulations. • All Pesticides differed considerably in their sensitivity and simulation behavior. - Pesticide load simulations of three pesticides were modeled by SWAT, providing clues on how to handle pesticides in future SWAT studies
Chmielewski, Jacek
2017-10-01
Nowadays, feasibility studies need to be prepared for all planned transport investments, mainly those co-financed with UE grants. One of the fundamental aspect of feasibility study is the economic justification of an investment, evaluated in an area of so called cost-benefit analysis (CBA). The main goal of CBA calculation is to prove that a transport investment is really important for the society and should be implemented as economically efficient one. It can be said that the number of hours (PH - passengers hours) in trips and travelled kilometres (PK - passengers kilometres) are the most important for CBA results. The differences between PH and PK calculated for particular investment scenarios are the base for benefits calculation. Typically, transport simulation models are the best source for such data. Transport simulation models are one of the most powerful tools for transport network planning. They make it possible to evaluate forecast traffic volume and passenger flows in a public transport system for defined scenarios of transport and area development. There are many different transport models. Their construction is often similar, and they mainly differ in the level of their accuracy. Even models for the same area may differ in this matter. Typically, such differences come from the accuracy of supply side representation: road and public transport network representation. In many cases only main roads and a public transport network are represented, while local and service roads are eliminated as a way of reality simplification. This also enables a faster and more effective calculation process. On the other hand, the description of demand part of these models based on transport zones is often stable. Difficulties with data collection, mainly data on land use, resulted in the lack of changes in the analysed land division into so called transport zones. In this paper the author presents an influence of land division on the results of traffic analyses, and hence
Effect of co-transporter blockers on non-synaptic epileptiform activity—computational simulation
Rodrigues Lopes, Mariana; Canton Santos, Luiz Eduardo; Márcio Rodrigues, Antônio; Antônio Duarte, Mario; Catelli Infantosi, Antonio Fernando; Alexandre Scorza, Fulvio; Arida, Ricardo Mario; Madureira, Ana Paula; Amaral da Silveira, Gilcélio; dos Santos, Ivans Carlos; Abrão Cavalheiro, Esper; Guimarães de Almeida, Antônio-Carlos
2013-10-01
The important role of cation-chloride co-transporters in epilepsy is being supported by an increasing number of investigations. However, enormous complexity is involved since the action of these co-transporters has effects on the ionic homeostasis influencing directly the neuronal excitability and the tissue propensity to sustain seizure. To unravel the complex mechanisms involving the co-transporters action during seizure, this paper shows simulations of non-synaptic epileptiform activity and the effect of the blockage of the two different types of cation-chloride co-transporters present in the brain: Na, K and 2Cl co-transporter (NKCC) and K and Cl co-transporter (KCC). The simulations were performed with an electrochemical model representing the non-synaptic structure of the granule cell layer of the dentate gyrus (DG) of the rat hippocampus. The simulations suggest: (i) the potassium clearance is based on the systemic interplay between the Na/K pump and the NKCC co-transporters; (ii) the simultaneous blockage of the NKCC of the neurons and KCC of glial cells acts efficiently suppressing the epileptiform activities; and (iii) the simulations show that depending on the combined blockage of the co-transporters, the epileptiform activities may be suppressed or enhanced.
Simulating the dynamic effect of land use and transport policies on the health of populations.
McClure, Roderick J; Adriazola-Steil, Claudia; Mulvihill, Christine; Fitzharris, Michael; Salmon, Paul; Bonnington, C Paul; Stevenson, Mark
2015-04-01
We identified the features of a land use-transportation system that optimizes the health and well-being of the population. We developed a quantitative system dynamics model to represent relationships among land use, transport, economic development, and population health. Simulation experiments were conducted over a 10-year simulation period to compare the effect of different baseline conditions and land use-transport policies on the number of motor vehicle crash deaths and disability-adjusted life years lost. Optimal reduction in the public health burden attributable to land transport was demonstrated when transport safety risk reduction policies were combined with land use and transport polices that minimized reliance on individual motorized transport and maximized use of active transport modes. The model's results were particularly sensitive to the level of development that characterized each city at the start of the simulation period. Local, national, and international decision-makers are encouraged to address transport, land use, and health as an integrated whole to achieve the desired societal benefits of traffic safety, population health, and social equity.
A Path Space Extension for Robust Light Transport Simulation
DEFF Research Database (Denmark)
Hachisuka, Toshiya; Pantaleoni, Jacopo; Jensen, Henrik Wann
2012-01-01
We present a new sampling space for light transport paths that makes it possible to describe Monte Carlo path integration and photon density estimation in the same framework. A key contribution of our paper is the introduction of vertex perturbations, which extends the space of paths with loosely...
Unifying Points, Beams, and Paths in Volumetric Light Transport Simulation
DEFF Research Database (Denmark)
Křivánek, Jaroslav; Georgiev, Iliyan; Hachisuka, Toshiya
2014-01-01
Efficiently computing light transport in participating media in a manner that is robust to variations in media density, scattering albedo, and anisotropy is a difficult and important problem in realistic image synthesis. While many specialized rendering techniques can efficiently resolve subsets ...
Output variability caused by random seeds in a multi-agent transport simulation model
DEFF Research Database (Denmark)
Paulsen, Mads; Rasmussen, Thomas Kjær; Nielsen, Otto Anker
2018-01-01
Dynamic transport simulators are intended to support decision makers in transport-related issues, and as such it is valuable that the random variability of their outputs is as small as possible. In this study we analyse the output variability caused by random seeds of a multi-agent transport...... simulator (MATSim) when applied to a case study of Santiago de Chile. Results based on 100 different random seeds shows that the relative accuracies of estimated link loads tend to increase with link load, but that relative errors of up to 10 % do occur even for links with large volumes. Although...
Integrated ELM simulation with edge MHD stability and transport of SOL-divertor plasmas
International Nuclear Information System (INIS)
Hayashi, Nobuhiko; Takizuka, Tomonori; Aiba, Nobuyuki; Ozeki, Takahisa; Oyama, Naoyuki
2007-07-01
The effect of the pressure profile on the energy loss caused by edge localized modes (ELMs) has been investigated by using an integrated simulation code TOPICS-IB based on a core transport code with a stability code for the peeling-ballooning modes and a transport model for scrape-off-layer and divertor plasmas. The steep pressure gradient inside the pedestal top is found to broaden the region of the ELM enhanced transport through the broadening of eigenfunctions and enhance the ELM energy loss. The ELM energy loss in the simulation becomes larger than 15% of the pedestal energy, as is shown in the database of multi-machine experiments. (author)
COUPLED FREE AND DISSOLVED PHASE TRANSPORT: NEW SIMULATION CAPABILITIES AND PARAMETER INVERSION
The vadose zone free-phase simulation capabilities of the US EPA Hydrocarbon Spill Screening Model (HSSM) (Weaver et al., 1994) have been linked with the 3-D multi-species dissolved-phase contaminant transport simulator MT3DMS (Zheng and Wang, 1999; Zheng, 2005). The linkage pro...
International Nuclear Information System (INIS)
Lee, W.W.
2003-01-01
Particle simulation has played an important role for the recent investigations on turbulence in magnetically confined plasmas. In this paper, theoretical and numerical properties of a gyrokinetic plasma as well as its relationship with magnetohydrodynamics (MHD) are discussed with the ultimate aim of simulating microturbulence in transport time scale using massively parallel computers
Directory of Open Access Journals (Sweden)
Aswathy Sheena
Full Text Available BACKGROUND: GLUT4 is a predominant insulin regulated glucose transporter expressed in major glucose disposal tissues such as adipocytes and muscles. Under the unstimulated state, GLUT4 resides within intracellular vesicles. Various stimuli such as insulin translocate this protein to the plasma membrane for glucose transport. In the absence of a crystal structure for GLUT4, very little is known about the mechanism of glucose transport by this protein. Earlier we proposed a homology model for GLUT4 and performed a conventional molecular dynamics study revealing the conformational rearrangements during glucose and ATP binding. However, this study could not explain the transport of glucose through the permeation tunnel. METHODOLOGY/PRINCIPAL FINDINGS: To elucidate the molecular mechanism of glucose transport and its energetic, a steered molecular dynamics study (SMD was used. Glucose was pulled from the extracellular end of GLUT4 to the cytoplasm along the pathway using constant velocity pulling method. We identified several key residues within the tunnel that interact directly with either the backbone ring or the hydroxyl groups of glucose. A rotation of glucose molecule was seen near the sugar binding site facilitating the sugar recognition process at the QLS binding site. CONCLUSIONS/SIGNIFICANCE: This study proposes a possible glucose transport pathway and aids the identification of several residues that make direct interactions with glucose during glucose transport. Mutational studies are required to further validate the observation made in this study.
Integrated heat transport simulation of high ion temperature plasma of LHD
International Nuclear Information System (INIS)
Murakami, S.; Yamaguchi, H.; Sakai, A.
2014-10-01
A first dynamical simulation of high ion temperature plasma with carbon pellet injection of LHD is performed by the integrated simulation GNET-TD + TASK3D. NBI heating deposition of time evolving plasma is evaluated by the 5D drift kinetic equation solver, GNET-TD and the heat transport of multi-ion species plasma (e, H, He, C) is studied by the integrated transport simulation code, TASK3D. Achievement of high ion temperature plasma is attributed to the 1) increase of heating power per ion due to the temporal increase of effective charge, 2) reduction of effective neoclassical transport with impurities, 3) reduction of turbulence transport. The reduction of turbulence transport is most significant contribution to achieve the high ion temperature and the reduction of the turbulent transport from the L-mode plasma (normal hydrogen plasma) is evaluated to be a factor about five by using integrated heat transport simulation code. Applying the Z effective dependent turbulent reduction model we obtain a similar time behavior of ion temperature after the C pellet injection with the experimental results. (author)
Liu, Y.; Meng, X.; Guo, Z.; Zhang, C.; Nguyen, T. H.; Hu, D.; Ji, J.; Yang, X.
2017-12-01
Colloidal attachment on charge heterogeneous grains has significant environmental implications for transport of hazardous colloids, such as pathogens, in the aquifer, where iron, manganese, and aluminium oxide minerals are the major source of surface charge heterogeneity of the aquifer grains. A patchwise surface charge model is often used to describe the surface charge heterogeneity of the grains. In the patchwise model, the colloidal attachment efficiency is linearly correlated with the fraction of the favorable patches (θ=λ(θf - θu)+θu). However, our previous microfluidic study showed that the attachment efficiency of oocysts of Cryptosporidium parvum, a waterborne protozoan parasite, was not linear correlated with the fraction of the favorable patches (λ). In this study, we developed a pore scale model to simulate colloidal transport and attachment on charge heterogeneous grains. The flow field was simulated using the LBM method and colloidal transport and attachment were simulated using the Lagrange particle tracking method. The pore scale model was calibrated with experimental results of colloidal and oocyst transport in microfluidic devices and was then used to simulate oocyst transport in charge heterogeneous porous media under a variety of environmental relative conditions, i.e. the fraction of favorable patchwise, ionic strength, and pH. The results of the pore scale simulations were used to evaluate the effect of surface charge heterogeneity on upscaling of oocyst transport from pore to continuum scale and to develop an applicable correlation between colloidal attachment efficiency and the fraction of the favorable patches.
Fluid simulation of beryllium transport in the ITER gaseous divertor
International Nuclear Information System (INIS)
Knoll, D.A.; Campbell, R.B.; McHugh, P.R.
1994-01-01
The transport of either intrinsic or injected impurities will play a crucial role in the energy loss mechanisms in the ITER gaseous/cold plasma target divertor. Both 1-D and 2-D multi-charge state fluid codes are used to model the transport of beryllium in the ITER SOL. Our major conclusion is that in order to model the containment of impurities, the background flow field must be known in detail. Comparing 1-D and 2-D solutions, hydrogen flow reversal plays an important role in the entrainment process. Further, the flow of particles from the core plasma also has a strong impact on the resultant entrainment of the impurities in both 1-D and 2-D. It is imperative that those components of poloidal velocity due to E x B and diamagnetic drifts be included in the models. (orig.)
Simplified analytical model for radionuclide transport simulation in the geosphere
International Nuclear Information System (INIS)
Hiromoto, G.
1996-01-01
In order to evaluate postclosure off-site doses from a low-level radioactive waste disposal facilities, an integrated safety assessment methodology has being developed at Instituto de Pesquisas Energeticas e Nucleares. The source-term modelling approach adopted in this system is described and the results obtained in the IAEA NSARS 'The Safety Assessment of Near-Surface Radioactive Waste Disposal Facilities' programme for model intercomparison studies are presented. The radionuclides released from the waste are calculated using a simple first order kinetics model, and the transport, through porous media below the waste is determined by using an analytical solution of the mass transport equation. The methodology and the results obtained in this work are compared with those reported by others participants of the NSARS programme. (author). 4 refs., 4 figs
Background and Recent Progress in Anomalous Transport Simulation
2017-07-19
variations Azimuthal E field normalized by the imposed electric field along the channel Electron density normalized by the initial plasma density used in the...Threshold electron two-stream instability Threshold for ion participation in two- stream instability Note: Analysis is for electron -H+ plasma 10DISTRIBUTION A...distribution unlimited PA# 17447 Fundamental Challenge Modeling electron Transport across B-field • Classical formulation for fluid mobility based on
Gyrokinetic simulations of neoclassical transport using a minimal collision operator
International Nuclear Information System (INIS)
Dif-Pradalier, G.; Grandgirard, V.; Sarazin, Y.; Garbet, X.; Ghendrih, Ph.; Angelino, P.
2008-01-01
Conventional neoclassical predictions are successfully recovered within a gyrokinetic framework using a minimal Fokker-Planck collision operator. This operator is shown to accurately describe some essential features of neoclassical theory, namely the neoclassical transport, the poloidal rotation and the linear damping of axisymmetric flows while interestingly preserving a high numerical efficiency. Its form makes it especially adapted to Eulerian or Semi-Lagrangian schemes.
MCSLTT, Monte Carlo Simulation of Light Transport in Tissue
International Nuclear Information System (INIS)
2008-01-01
Description of program or function: Understanding light-tissue interaction is fundamental in the field of Biomedical Optics. It has important implications for both therapeutic and diagnostic technologies. In this program, light transport in scattering tissue is modeled by absorption and scattering events as each photon travels through the tissue. The path of each photon is determined statistically by calculating probabilities of scattering and absorption. Other measured quantities are total reflected light, total transmitted light, and total heat absorbed
Parallelizing an electron transport Monte Carlo simulator (MOCASIN 2.0)
International Nuclear Information System (INIS)
Schwetman, H.; Burdick, S.
1988-01-01
Electron transport simulators are tools for studying electrical properties of semiconducting materials and devices. As demands for modeling more complex devices and new materials have emerged, so have demands for more processing power. This paper documents a project to convert an electron transport simulator (MOCASIN 2.0) to a parallel processing environment. In addition to describing the conversion, the paper presents PPL, a parallel programming version of C running on a Sequent multiprocessor system. In timing tests, models that simulated the movement of 2,000 particles for 100 time steps were executed on ten processors, with a parallel efficiency of over 97%
Circuit simulation model multi-quantum well laser diodes inducing transport and capture/escape
International Nuclear Information System (INIS)
Zhuber-Okrog, K.
1996-04-01
This work describes the development of world's first circuit simulation model for multi-quantum well (MQW) semiconductor lasers comprising caier transport and capture/escape effects. This model can be seen as the application of a new semiconductor device simulator for quasineutral structures including MQW layers with an extension for simple single mode modeling of optical behavior. It is implemented in a circuit simulation program. The model is applied to Fabry-Perot laser diodes and compared to measured data. (author)
Simulation of Water Transport through a Lipid Membrane
Marrink, Siewert-Jan; Berendsen, Herman J.C.
1994-01-01
To obtain insight in the process of water permeation through a lipid membrane, we performed molecular dynamics simulations on a phospholipid (DPPC)/water system with atomic detail. Since the actual process of permeation is too slow to be studied directly, we deduced the permeation rate indirectly
Molecular Electronics: Insight from First-Principles Transport Simulations
DEFF Research Database (Denmark)
Paulsson, Magnus; Frederiksen, Thomas; Brandbyge, Mads
2010-01-01
Conduction properties of nanoscale contacts can be studied using first-principles simulations. Such calculations give insight into details behind the conductance that is not readily available in experiments. For example, we may learn how the bonding conditions of a molecule to the electrodes affect...
Direct Numerical Simulation Sediment Transport in Horizontal Channel
International Nuclear Information System (INIS)
Uhlmann, M.
2006-01-01
We numerically simulate turbulent flow in a horizontal plane channel over a bed of mobile particles. All scales of fluid motion are resolved without modeling and the phase interface is accurately represented. Our results indicate a possible scenario for the onset of erosion through collective motion induced by buffer-layer streaks. (Author) 27 refs
Hong, Jongsup; Kirchen, Patrick; Ghoniem, Ahmed F.
2012-01-01
Ion transport membrane (ITM) based reactors have been suggested as a novel technology for several applications including fuel reforming and oxy-fuel combustion, which integrates air separation and fuel conversion while reducing complexity
Electrokinetic Particle Transport in Micro-Nanofluidics Direct Numerical Simulation Analysis
Qian, Shizhi
2012-01-01
Numerous applications of micro-/nanofluidics are related to particle transport in micro-/nanoscale channels, and electrokinetics has proved to be one of the most promising tools to manipulate particles in micro/nanofluidics. Therefore, a comprehensive understanding of electrokinetic particle transport in micro-/nanoscale channels is crucial to the development of micro/nano-fluidic devices. Electrokinetic Particle Transport in Micro-/Nanofluidics: Direct Numerical Simulation Analysis provides a fundamental understanding of electrokinetic particle transport in micro-/nanofluidics involving elect
GYRO Simulations of Core Momentum Transport in DIII-D and JET Plasmas
International Nuclear Information System (INIS)
Budny, R.V.; Candy, J.; Waltz, R.E.
2005-01-01
Momentum, energy, and particle transport in DIII-D and JET ELMy H-mode plasmas is simulated with GYRO and compared with measurements analyzed using TRANSP. The simulated transport depends sensitively on the nabla(T(sub)i) turbulence drive and the nabla(E(sub)r) turbulence suppression inputs. With their nominal values indicated by measurements, the simulations over-predict the momentum and energy transport in the DIII-D plasmas, and under-predict in the JET plasmas. Reducing |nabla(T(sub)i)| and increasing |nabla(E(sub)r)| by up to 15% leads to approximate agreement (within a factor of two) for the DIII-D cases. For the JET cases, increasing |nabla(T(sub)i)| or reducing |nabla(E(sub)r)| results in approximate agreement for the energy flow, but the ratio of the simulated energy and momentum flows remains higher than measurements by a factor of 2-4
Kinetic simulations of neoclassical and anomalous transport processes in helical systems
International Nuclear Information System (INIS)
Sugama, Hideo; Watanabe, Tomohiko; Nunami, Masanori; Satake, Shinsuke; Matsuoka, Seikichi; Tanaka, Kenji
2012-01-01
Drift kinetic and gyrokinetic theories and simulations are powerful means for quantitative predictions of neoclassical and anomalous transport fluxes in helical systems such as the Large Helical Device (LHD). The δf Monte Carlo particle simulation code, FORTEC-3D, is used to predict radial profiles of the neoclassical particle and heat transport fluxes and the radial electric field in helical systems. The radial electric field profiles in the LHD plasmas are calculated from the ambipolarity condition for the neoclassical particle fluxes obtained by the global simulations using the FORTEC-3D code, in which effects of ion or electron finite orbit widths are included. Gyrokinetic Vlasov simulations using the GKV code verify the theoretical prediction that the neoclassical optimization of helical magnetic configuration enhances the zonal flow generation which leads to the reduction of the turbulent heat diffusivity χ i due to the ion temperature gradient (ITG) turbulence. Comparisons between results for the high ion temperature LHD experiment and the gyrokinetic simulations using the GKV-X code show that the χ i profile and the poloidal wave number spectrum of the density fluctuation obtained from the simulations are in reasonable agreements with the experimental results. It is predicted theoretically and confirmed by the linear GKV simulations that the E × B rotation due to the background radial electric field E r can enhance the zonal-flow response to a given source. Thus, in helical systems, the turbulent transport is linked to the neoclassical transport through E r which is determined from the ambipolar condition for neoclassical particle fluxes and influences the zonal flow generation leading to reduction of the turbulent transport. In order to investigate the E r effect on the regulation of the turbulent transport by the zonal flow generation, the flux-tube bundle model is proposed as a new method for multiscale gyrokinetic simulations. (author)
The theory and simulation of relativistic electron beam transport in the ion-focused regime
International Nuclear Information System (INIS)
Swanekamp, S.B.; Holloway, J.P.; Kammash, T.; Gilgenbach, R.M.
1992-01-01
Several recent experiments involving relativistic electron beam (REB) transport in plasma channels show two density regimes for efficient transport; a low-density regime known as the ion-focused regime (IFR) and a high-pressure regime. The results obtained in this paper use three separate models to explain the dependency of REB transport efficiency on the plasma density in the IFR. Conditions for efficient beam transport are determined by examining equilibrium solutions of the Vlasov--Maxwell equations under conditions relevant to IFR transport. The dynamic force balance required for efficient IFR transport is studied using the particle-in-cell (PIC) method. These simulations provide new insight into the transient beam front physics as well as the dynamic approach to IFR equilibrium. Nonlinear solutions to the beam envelope are constructed to explain oscillations in the beam envelope observed in the PIC simulations but not contained in the Vlasov equilibrium analysis. A test particle analysis is also developed as a method to visualize equilibrium solutions of the Vlasov equation. This not only provides further insight into the transport mechanism but also illustrates the connections between the three theories used to describe IFR transport. Separately these models provide valuable information about transverse beam confinement; together they provide a clear physical understanding of REB transport in the IFR
SWIFT: INTERA simulator for waste injection, flow and transport
International Nuclear Information System (INIS)
Hossain, S.; Arens, G.; Fein, E.
1990-06-01
The latest SWIFT model (SWIFT-GSF2) as available in GSF Braunschweig is described. The theoretical background has been elaborated using the SWIFT II documentation and other available internal notes of various enhancements. Thus the boundary condition implementations and source/sink considerations are now comprehensive. The computer implementation has also been extented to include the description of the matrix solution algorithms. Finally, the data input guide has been updated and when necessary illustrated with figures. The presentation begins with the basic transport equations. (orig.)
Injector and beam transport simulation study of proton dielectric wall accelerator
International Nuclear Information System (INIS)
Zhao, Quantang; Yuan, P.; Zhang, Z.M.; Cao, S.C; Shen, X.K.; Jing, Y.; Ma, Y.Y.; Yu, C.S.; Li, Z.P.; Liu, M.; Xiao, R.Q.; Zhao, H.W.
2012-01-01
A simulation study of a short-pulsed proton injector for, and beam transport in, a dielectric wall accelerator (DWA) has been carried out using the particle-in-cell (PIC) code Warp. It was shown that applying “tilt pulse” voltage waveforms on three electrodes enables the production of a shorter bunch by the injector. The fields in the DWA beam tube were simulated using Computer Simulation Technology’s Microwave Studio (CST MWS) package, with various choices for the boundary conditions. For acceleration in the DWA, the beam transport was simulated with Warp, using applied fields obtained by running CST MWS. Our simulations showed that the electric field at the entrance to the DWA represents a challenging issue for the beam transport. We thus simulated a configuration with a mesh at the entrance of the DWA, intended to improve the entrance field. In these latter simulations, a proton bunch was successfully accelerated from 130 keV to about 36 MeV in a DWA with a length of 36.75 cm. As the beam bunch progresses, its transverse dimensions diminish from (roughly) 0.5×0.5 cm to 0.2×0.4 cm. The beam pulse lengthens from 1 cm to 2 cm due to lack of longitudinal compression fields. -- Highlights: ► A pulse proton injector with tilt voltages on the three electrodes was simulated. ► The fields in different part of the DWA were simulated with CST and analyzed. ► The proton beam transport in DWA was simulated with Warp successfully. ► The simulation can help for designing a real DWA.
Gyrokinetic Simulation of Global Turbulent Transport Properties in Tokamak Experiments
Energy Technology Data Exchange (ETDEWEB)
Wang, W.X.; Lin, Z.; Tang, W.M.; Lee, W.W.; Ethier, S.; Lewandowski, J.L.V.; Rewoldt, G.; Hahm, T.S.; Manickam, J.
2006-01-01
A general geometry gyro-kinetic model for particle simulation of plasma turbulence in tokamak experiments is described. It incorporates the comprehensive influence of noncircular cross section, realistic plasma profiles, plasma rotation, neoclassical (equilibrium) electric fields, and Coulomb collisions. An interesting result of global turbulence development in a shaped tokamak plasma is presented with regard to nonlinear turbulence spreading into the linearly stable region. The mutual interaction between turbulence and zonal flows in collisionless plasmas is studied with a focus on identifying possible nonlinear saturation mechanisms for zonal flows. A bursting temporal behavior with a period longer than the geodesic acoustic oscillation period is observed even in a collisionless system. Our simulation results suggest that the zonal flows can drive turbulence. However, this process is too weak to be an effective zonal flow saturation mechanism.
Impact of porosity variation on diffusive transport: experimentation vs simulation
International Nuclear Information System (INIS)
Fatnassi, Ikram
2015-01-01
Reactions induced by the diffusion of reactants from different sources may alter rock confinement properties, and are therefore critical processes to assess short-term and long-term behaviour of rocks displaying a low permeability, such as argillites which are used as barriers in underground storage installation. In order to test transport-chemistry codes based on a continuous approach, the author of this research thesis reports the development and performance of simplest as possible experiments of sealing/dissolution diffusion, by using porous media of increasing complexity: compact sand, sintered glass, stoneware, chalk, until a material close to that envisaged within the frame of a storage like a Tournemire argillite. The principle of these experiments relies on the characterisation of the diffusive behaviour of an inert tracer within a porous medium submitted to dissolution reactions (attack of a carbonate matrix by an acid solution) and/or precipitation of mineral compounds (calcium oxalate, gypsum or barite) which results in an evolution of porosity and a modification of the diffusive transport of the studied tracer. At the end of the experiment, porous media and precipitates are characterised by SEM-EDS [fr
Large-scale tropospheric transport in the Chemistry-Climate Model Initiative (CCMI) simulations
Orbe, Clara; Yang, Huang; Waugh, Darryn W.; Zeng, Guang; Morgenstern, Olaf; Kinnison, Douglas E.; Lamarque, Jean-Francois; Tilmes, Simone; Plummer, David A.; Scinocca, John F.; Josse, Beatrice; Marecal, Virginie; Jöckel, Patrick; Oman, Luke D.; Strahan, Susan E.; Deushi, Makoto; Tanaka, Taichu Y.; Yoshida, Kohei; Akiyoshi, Hideharu; Yamashita, Yousuke; Stenke, Andreas; Revell, Laura; Sukhodolov, Timofei; Rozanov, Eugene; Pitari, Giovanni; Visioni, Daniele; Stone, Kane A.; Schofield, Robyn; Banerjee, Antara
2018-05-01
Understanding and modeling the large-scale transport of trace gases and aerosols is important for interpreting past (and projecting future) changes in atmospheric composition. Here we show that there are large differences in the global-scale atmospheric transport properties among the models participating in the IGAC SPARC Chemistry-Climate Model Initiative (CCMI). Specifically, we find up to 40 % differences in the transport timescales connecting the Northern Hemisphere (NH) midlatitude surface to the Arctic and to Southern Hemisphere high latitudes, where the mean age ranges between 1.7 and 2.6 years. We show that these differences are related to large differences in vertical transport among the simulations, in particular to differences in parameterized convection over the oceans. While stronger convection over NH midlatitudes is associated with slower transport to the Arctic, stronger convection in the tropics and subtropics is associated with faster interhemispheric transport. We also show that the differences among simulations constrained with fields derived from the same reanalysis products are as large as (and in some cases larger than) the differences among free-running simulations, most likely due to larger differences in parameterized convection. Our results indicate that care must be taken when using simulations constrained with analyzed winds to interpret the influence of meteorology on tropospheric composition.
Large-scale tropospheric transport in the Chemistry–Climate Model Initiative (CCMI simulations
Directory of Open Access Journals (Sweden)
C. Orbe
2018-05-01
Full Text Available Understanding and modeling the large-scale transport of trace gases and aerosols is important for interpreting past (and projecting future changes in atmospheric composition. Here we show that there are large differences in the global-scale atmospheric transport properties among the models participating in the IGAC SPARC Chemistry–Climate Model Initiative (CCMI. Specifically, we find up to 40 % differences in the transport timescales connecting the Northern Hemisphere (NH midlatitude surface to the Arctic and to Southern Hemisphere high latitudes, where the mean age ranges between 1.7 and 2.6 years. We show that these differences are related to large differences in vertical transport among the simulations, in particular to differences in parameterized convection over the oceans. While stronger convection over NH midlatitudes is associated with slower transport to the Arctic, stronger convection in the tropics and subtropics is associated with faster interhemispheric transport. We also show that the differences among simulations constrained with fields derived from the same reanalysis products are as large as (and in some cases larger than the differences among free-running simulations, most likely due to larger differences in parameterized convection. Our results indicate that care must be taken when using simulations constrained with analyzed winds to interpret the influence of meteorology on tropospheric composition.
International Nuclear Information System (INIS)
Martin, R.C.
1990-01-01
The passage of energetic ions through semiconductor devices generates excess charge which can produce logic upset, memory change, and device damage. This single event upset (SEU) phenomenon is increasingly important for satellite communications. Experimental and numerical simulation of SEUs is difficult because of the subnanosecond times and large charge densities within the ion track. The objective of this work is twofold: (1) the determination of the track structure and electron-hole pair generation profiles following the passage of an energetic ion; (2) the development and application of a new numerical method for transient charge transport in semiconductor devices. A secondary electron generation and transport model, based on the Monte Carlo method, is developed and coupled to an ion transport code to simulate ion track formation in silicon. A new numerical method is developed for the study of transient charge transport. The numerical method combines an axisymmetric quadratic finite-element formulation for the solution of the potential with particle simulation methods for electron and hole transport. Carrier transport, recombination, and thermal generation of both majority and minority carriers are included. To assess the method, transient one-dimensional solutions for silicon diodes are compared to a fully iterative finite-element method. Simulations of charge collection from ion tracks in three-dimensional axisymmetric devices are presented and compared to previous work. The results of this work for transient current pulses following charged ion passage are in agreement with recent experimental data
The simulation of the transport of aircraft emissions by a three-dimensional global model
Directory of Open Access Journals (Sweden)
G. J. M. Velders
1994-04-01
Full Text Available A three-dimensional off-line tracer transport model coupled to the ECMWF analyses has been used to study the transport of trace gases in the atmosphere. The model gives a reasonable description of their general transport in the atmosphere. The simulation of the transport of aircraft emissions (as NOx has been studied as well as the transport of passive tracers injected at different altitudes in the North Atlantic flight corridor. A large zonal variation in the NOx concentrations as well as large seasonal and yearly variations was found. The altitude of the flight corridor influences the amount of tracers transported into the troposphere and stratosphere to a great extent.
Nature of turbulent transport across sheared zonal flows: insights from gyrokinetic simulations
International Nuclear Information System (INIS)
Sanchez, R; Newman, D E; Leboeuf, J-N; Decyk, V K
2011-01-01
The traditional view regarding the reduction of turbulence-induced transport across a stable sheared flow invokes a reduction of the characteristic length scale in the direction perpendicular to the flow as a result of the shearing and stretching of eddies caused by the differential pull exerted in the direction of the flow. A reduced effective transport coefficient then suffices to capture the reduction, that can then be readily incorporated into a transport model. However, recent evidence from gyrokinetic simulations of the toroidal ion-temperature-gradient mode suggests that the dynamics of turbulent transport across sheared flows changes in a more fundamental manner, and that the use of reduced effective transport coefficients fails to capture the full dynamics that may exhibit both subdiffusion and non-Gaussian statistics. In this contribution, after briefly reviewing these results, we propose some candidates for the physical mechanisms responsible for endowing transport with such non-diffusive characteristics, backing these proposals with new numerical gyrokinetic data.
GOLLUM: a next-generation simulation tool for electron, thermal and spin transport
International Nuclear Information System (INIS)
Ferrer, J; García-Suárez, V M; Rodríguez-Ferradás, R; Lambert, C J; Manrique, D Zs; Visontai, D; Grace, I; Bailey, S W D; Gillemot, K; Sadeghi, Hatef; Algharagholy, L A; Oroszlany, L
2014-01-01
We have developed an efficient simulation tool ‘GOLLUM’ for the computation of electrical, spin and thermal transport characteristics of complex nanostructures. The new multi-scale, multi-terminal tool addresses a number of new challenges and functionalities that have emerged in nanoscale-scale transport over the past few years. To illustrate the flexibility and functionality of GOLLUM, we present a range of demonstrator calculations encompassing charge, spin and thermal transport, corrections to density functional theory such as local density approximation +U (LDA+U) and spectral adjustments, transport in the presence of non-collinear magnetism, the quantum Hall effect, Kondo and Coulomb blockade effects, finite-voltage transport, multi-terminal transport, quantum pumps, superconducting nanostructures, environmental effects, and pulling curves and conductance histograms for mechanically-controlled break-junction experiments. (paper)
Real time simulation of the release and transport of radioactive contaminants
International Nuclear Information System (INIS)
Popa, F.; Weber, M.
1991-01-01
Calculating the responses of the radiation monitoring system (RMS) remains one of the most difficult aspects of nuclear power plant simulation to bring into the post-TMI, first principles simulator era. This task requires the simulation of the transport of radioactive contaminants, the transport of the radiation itself, and the instrument channel including the detector. The complex physics and lack of knowledge of input parameters have made these models lag the general simulator trend away from logical/heuristic modeling of physical systems. This paper describes a series of advances to the modeling methodology to change this situation. The objective in the design of this real time simulation model was to always calculate qualitatively reasonable radiation detector readings
International Nuclear Information System (INIS)
Popescu, Lucretiu M.
2000-01-01
A computer code package (PTSIM) for particle transport Monte Carlo simulation was developed using object oriented techniques of design and programming. A flexible system for simulation of coupled photon, electron transport, facilitating development of efficient simulation applications, was obtained. For photons: Compton and photo-electric effects, pair production and Rayleigh interactions are simulated, while for electrons, a class II condensed history scheme was considered, in which catastrophic interactions (Moeller electron-electron interaction, bremsstrahlung, etc.) are treated in detail and all other interactions with reduced individual effect on electron history are grouped together using continuous slowing down approximation and energy straggling theories. Electron angular straggling is simulated using Moliere theory or a mixed model in which scatters at large angles are treated as distinct events. Comparisons with experimentally benchmarks for electron transmission and bremsstrahlung emissions energy and angular spectra, and for dose calculations are presented
Transport simulation of ITER [International Thermonuclear Engineering Reactor] startup
International Nuclear Information System (INIS)
Attenberger, S.E.; Houlberg, W.A.
1989-01-01
The present International Thermonuclear Engineering Reactor (ITER) reference configurations are the ''Technology Phase,'' in which the plasma current is maintained noninductively at a subignition density, and the ''Physics Phase,'' which is ignited but requires inductive maintenance of the current. The WHIST 1.5-D transport code is used to evaluate the volt-second requirements of both configurations. A slow current ramp (60-80's) is required for fixed-radius startup in ITER to avoid hollow current density profiles. To reach the operating point requires about 203 V·s for the Technology Phase (18 MA) and about 270 V·s for the Physics Phase (22 MA). The resistive losses can be reduced with expanding-radius startup. 5 refs., 4 figs
Simulating subsurface flow and transport on ultrascale computers using PFLOTRAN
International Nuclear Information System (INIS)
Mills, Richard Tran; Lu, Chuan; Lichtner, Peter C; Hammond, Glenn E
2007-01-01
We describe PFLOTRAN, a recently developed code for modeling multi-phase, multi-component subsurface flow and reactive transport using massively parallel computers. PFLOTRAN is built on top of PETSc, the Portable, Extensible Toolkit for Scientific Computation. Leveraging PETSc has allowed us to develop-with a relatively modest investment in development effort-a code that exhibits excellent performance on the largest-scale supercomputers. Very significant enhancements to the code are planned during our SciDAC-2 project. Here we describe the current state of the code, present an example of its use on Jaguar, the Cray XT3/4 system at Oak Ridge National Laboratory consisting of 11706 dual-core Opteron processor nodes, and briefly outline our future plans for the code
Design of a transport calculation system for logging sondes simulation
International Nuclear Information System (INIS)
Marquez Damian, Jose Ignacio
2005-01-01
Analysis of available resources in earth crust is performed by different techniques, one of them is neutron logging. Design of sondes that are used to make such logging is supported by laboratory experiments as well as by numerical calculations.This work presents several calculation schemes, designed to simplify the task of whom has to planify such experiments or optimize parameters of this kind of sondes.These schemes use transport calculation codes, especially DaRT, TORT and MCNP, and cross section processing modules from SCALE system.Additionally a system for DaRT and TORT data postprocessing using OpenDX is presented.It allows scalar flux spatial distribution analysis, as wells as cross section condensation and reaction rates calculation
Simulating subsurface flow and transport on ultrascale computers using PFLOTRAN
Energy Technology Data Exchange (ETDEWEB)
Mills, Richard Tran [Computational Earth Sciences Group, Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6015 (United States); Lu, Chuan [Hydrology, Geochemistry, and Geology Group, Earth and Environmental Sciences Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Lichtner, Peter C [Hydrology, Geochemistry, and Geology Group, Earth and Environmental Sciences Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Hammond, Glenn E [Hydrology Group, Environmental Technology Division, Pacific Northwest National Laboratory, Richland, WA 99352 (United States)
2007-07-15
We describe PFLOTRAN, a recently developed code for modeling multi-phase, multi-component subsurface flow and reactive transport using massively parallel computers. PFLOTRAN is built on top of PETSc, the Portable, Extensible Toolkit for Scientific Computation. Leveraging PETSc has allowed us to develop-with a relatively modest investment in development effort-a code that exhibits excellent performance on the largest-scale supercomputers. Very significant enhancements to the code are planned during our SciDAC-2 project. Here we describe the current state of the code, present an example of its use on Jaguar, the Cray XT3/4 system at Oak Ridge National Laboratory consisting of 11706 dual-core Opteron processor nodes, and briefly outline our future plans for the code.
A Novel Radiation Transport Algorithm for Radiography Simulations
International Nuclear Information System (INIS)
Inanc, Feyzi
2004-01-01
The simulations used in the NDE community are becoming more realistic with the introduction of more physics. In this work, we have developed a new algorithm that is capable of representing photon and charged particle fluxes through spherical harmonic expansions in a manner similar to well known discrete ordinates method with the exception that Boltzmann operator is treated through exact integration rather than conventional Legendre expansions. This approach provides a mean to include radiation interactions for higher energy regimes where there are additional physical mechanisms for photons and charged particles
Simulation of chloride transport based description soil structure
International Nuclear Information System (INIS)
Mahmood-ul-Hassan, M.; Akhtar, M.S.; Gill, S.M.; Nabi, G.
2003-01-01
There is a need of environmental implications of rapid appearance of surface by applying chemical at depths below the vadose zone (tile line or shallow groundwater) for developing better insight into solute flow mechanism through the arable lands. Transport of chloride, a representative non-adsorbing solute, through a moderately structured silty clay loam soil (Gujranwala series, Typic Ustochrepts) and an un-structured sandy loam soil (Nabipur series, Typic Camborthid) was characterized and two existing models viz. convection dispersion equation (CDE) and preferential flow models were tested. The flux average of solute concentration in the outflow as a function of cumulative drainage was fitted to the models. The CDE fitted, relatively, better in the non-structured soil than in the moderately structured soil. Dispersivity value determined by CDE was very high for the structured soil which is physically not possible. The preferential flow model fitted well in the Gujranwala soil, but not in the Nabipur soil. The breakthrough characteristics i.e. drainage to peak concentration (Dp), symmetry coefficient (SC), skewness, and kurtosis were compared. Chloride breakthrough was earlier than expected based on piston flow. It indicated preferential flow in both the soils, yet, immediate appearance of the tracer in the Gujranwala soil demonstrated even larger magnitude of the preferential flow. Breakthrough curves' parameters indicated a large amount of the solute movement through the preferred pathways by passing the soil matrix in the Gujranwala soil. The study suggests that some soil structure parameters (size/shape and degree of aggregation) should be incorporated in the solute transport models.(author)
Conformity checking of LPG Transportation Trucks by Modelling and Simulation
Directory of Open Access Journals (Sweden)
Gallab Maryam
2017-01-01
Full Text Available LPG Loading /unloading site is considered as a dangerous environment of significant risk, especially during LPG transfer operations. These risks may cause catastrophic dangers such as BLEVE (Boiling Liquid Expanding Vapour Explosion, UVCE (Unconfined Vapour Cloud Explosion, etc. The site consists of a tank (RST containing LPG and threetransfer posts. Two posts allow loading of small carrier tankers 6 tons. The other one transfer post transfer LPG contained injumbo tankers 20 tons inside the tank. The industrial site at risks chooses to demonstrate the need for a modelling-simulation approach. The aim is to check first compliance and authorization of the truck when it enters the site for loading /unloading, to verify the authorization to make the transfer, and then, to identify the driver and his training to ensure that the transfer operations are going to take place without incident. Sometimes, it may happen that Consignment Operator (CO is busy orabsent and thus the driver operates alone without being authorized, in this case the site risks a loss of control due to a lack of resources. The modelling-simulation will be done using multi-agent systems that will present the drivers, trucks, PO and loading unloading posts as agents in order to have a model facilitating this checking.
Numerically robust and efficient nonlocal electron transport in 2D DRACO simulations
Cao, Duc; Chenhall, Jeff; Moses, Greg; Delettrez, Jacques; Collins, Tim
2013-10-01
An improved implicit algorithm based on Schurtz, Nicolai and Busquet (SNB) algorithm for nonlocal electron transport is presented. Validation with direct drive shock timing experiments and verification with the Goncharov nonlocal model in 1D LILAC simulations demonstrate the viability of this efficient algorithm for producing 2D lagrangian radiation hydrodynamics direct drive simulations. Additionally, simulations provide strong incentive to further modify key parameters within the SNB theory, namely the ``mean free path.'' An example 2D polar drive simulation to study 2D effects of the nonlocal flux as well as mean free path modifications will also be presented. This research was supported by the University of Rochester Laboratory for Laser Energetics.
Simulations of neutron transport at low energy: a comparison between GEANT and MCNP.
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.
Integral and Lagrangian simulations of particle and radiation transport in plasma
International Nuclear Information System (INIS)
Christlieb, A J; Hitchon, W N G; Lawler, J E; Lister, G G
2009-01-01
Accurate integral and Lagrangian models of transport in plasmas, in which the models reflect the actual physical behaviour as closely as possible, are presented. These methods are applied to the behaviour of particles and photons in plasmas. First, to show how these types of models arise in a wide range of plasma physics applications, an application to radiation transport in a lighting discharge is given. The radiation transport is solved self-consistently with a model of the discharge to provide what are believed to be very accurate 1D simulations of fluorescent lamps. To extend these integral methods to higher dimensions is computationally very costly. The wide utility of 'treecodes' in solving massive integral problems in plasma physics is discussed, and illustrated in modelling vortex formation in a Penning trap, where a remarkably detailed simulation of vortex formation in the trap is obtained. Extension of treecode methods to other integral problems such as radiation transport is under consideration.
Modification of PRETOR Code to Be Applied to Transport Simulation in Stellarators
International Nuclear Information System (INIS)
Fontanet, J.; Castejon, F.; Dies, J.; Fontdecaba, J.; Alejaldre, C.
2001-01-01
The 1.5 D transport code PRETOR, that has been previously used to simulate tokamak plasmas, has been modified to perform transport analysis in stellarator geometry. The main modifications that have been introduced in the code are related with the magnetic equilibrium and with the modelling of energy and particle transport. Therefore, PRETOR- Stellarator version has been achieved and the code is suitable to perform simulations on stellarator plasmas. As an example, PRETOR- Stellarator has been used in the transport analysis of several Heliac Flexible TJ-II shots, and the results are compared with those obtained using PROCTR code. These results are also compared with the obtained using the tokamak version of PRETOR to show the importance of the introduced changes. (Author) 18 refs
Numerical simulation of the transport phenomena due to sudden heating in porous media
Energy Technology Data Exchange (ETDEWEB)
Lei, S.Y.; Zheng, G.Y.; Wang, B.X.; Yang, R.G.; Xia, C.M.
1997-07-01
Such process as wet porous media suddenly heated by hot fluids frequently occurs in nature and in industrial applications. The three-variable simulation model was developed to predict violent transport phenomena due to sudden heating in porous media. Two sets of independent variables were applied to different regions in porous media in the simulation. For the wet zone, temperature, wet saturation and air pressure were used as the independent variables. For the dry zone, the independent variables were temperature, vapor pressure and air pressure. The model simulated two complicated transport processes in wet unsaturated porous media which is suddenly heated by melting metal or boiling water. The effect of the gas pressure is also investigated on the overall transport phenomena.
Sources and Transportation of Bulk, Low-Cost Lunar Simulant Materials
Rickman, D. L.
2013-01-01
Marshall Space Flight Center (MSFC) has built the Lunar Surface Testbed using 200 tons of volcanic cinder and ash from the same source used for the simulant series JSC-1. This Technical Memorandum examines the alternatives examined for transportation and source. The cost of low-cost lunar simulant is driven by the cost of transportation, which is controlled by distance and, to a lesser extent, quantity. Metabasalts in the eastern United States were evaluated due to their proximity to MSFC. Volcanic cinder deposits in New Mexico, Colorado, and Arizona were recognized as preferred sources. In addition to having fewer green, secondary minerals, they contain vesicular glass, both of which are desirable. Transportation costs were more than 90% of the total procurement costs for the simulant material.
PATHWAY: a simulation model of radionuclide-transport through agricultural food chains
International Nuclear Information System (INIS)
Kirchner, T.B.; Whicker, F.W.; Otis, M.D.
1982-01-01
PATHWAY simulates the transport of radionuclides from fallout through an agricultural ecosystem. The agro-ecosystem is subdivided into several land management units, each of which is used either for grazing animals, for growing hay, or for growing food crops. The model simulates the transport of radionuclides by both discrete events and continuous, time-dependent processes. The discrete events include tillage of soil, harvest and storage of crops,and deposition of fallout. The continuous processes include the transport of radionuclides due to resuspension, weathering, rain splash, percolation, leaching, adsorption and desorption of radionuclides in the soil, root uptake, foliar absorption, growth and senescence of vegetation, and the ingestion assimilation, and excretion of radionuclides by animals. Preliminary validation studies indicate that the model dynamics and simulated values of radionuclide concentrations in several agricultural products agree well with measured values when the model is driven with site specific data on deposition from world-wide fallout
Simulation of Molecular Transport in Systems Containing Mobile Obstacles.
Polanowski, Piotr; Sikorski, Andrzej
2016-08-04
In this paper, we investigate the movement of molecules in crowded environments with obstacles undergoing Brownian motion by means of extensive Monte Carlo simulations. Our investigations were performed using the dynamic lattice liquid model, which was based on the cooperative movement concept and allowed to mimic systems at high densities where the motion of all elements (obstacles as well as moving particles) were highly correlated. The crowded environments are modeled on a two-dimensional triangular lattice containing obstacles (particles whose mobility was significantly reduced) moving by a Brownian motion. The subdiffusive motion of both elements in the system was analyzed. It was shown that the percolation transition does not exist in such systems in spite of the cooperative character of the particles' motion. The reduction of the obstacle mobility leads to the longer caging of liquid particles by mobile obstacles.
De Lucia, Marco; Kempka, Thomas; Jatnieks, Janis; Kühn, Michael
2017-04-01
Reactive transport simulations - where geochemical reactions are coupled with hydrodynamic transport of reactants - are extremely time consuming and suffer from significant numerical issues. Given the high uncertainties inherently associated with the geochemical models, which also constitute the major computational bottleneck, such requirements may seem inappropriate and probably constitute the main limitation for their wide application. A promising way to ease and speed-up such coupled simulations is achievable employing statistical surrogates instead of "full-physics" geochemical models [1]. Data-driven surrogates are reduced models obtained on a set of pre-calculated "full physics" simulations, capturing their principal features while being extremely fast to compute. Model reduction of course comes at price of a precision loss; however, this appears justified in presence of large uncertainties regarding the parametrization of geochemical processes. This contribution illustrates the integration of surrogates into the flexible simulation framework currently being developed by the authors' research group [2]. The high level language of choice for obtaining and dealing with surrogate models is R, which profits from state-of-the-art methods for statistical analysis of large simulations ensembles. A stand-alone advective mass transport module was furthermore developed in order to add such capability to any multiphase finite volume hydrodynamic simulator within the simulation framework. We present 2D and 3D case studies benchmarking the performance of surrogates and "full physics" chemistry in scenarios pertaining the assessment of geological subsurface utilization. [1] Jatnieks, J., De Lucia, M., Dransch, D., Sips, M.: "Data-driven surrogate model approach for improving the performance of reactive transport simulations.", Energy Procedia 97, 2016, p. 447-453. [2] Kempka, T., Nakaten, B., De Lucia, M., Nakaten, N., Otto, C., Pohl, M., Chabab [Tillner], E., Kühn, M
Analysis of Monte Carlo methods for the simulation of photon transport
International Nuclear Information System (INIS)
Carlsson, G.A.; Kusoffsky, L.
1975-01-01
In connection with the transport of low-energy photons (30 - 140 keV) through layers of water of different thicknesses, various aspects of Monte Carlo methods are examined in order to improve their effectivity (to produce statistically more reliable results with shorter computer times) and to bridge the gap between more physical methods and more mathematical ones. The calculations are compared with results of experiments involving the simulation of photon transport, using direct methods and collision density ones (J.S.)
Chamber-transport simulation results for heavy-ion fusion drivers
International Nuclear Information System (INIS)
Sharp, W M; Callahan, D A; Tabak, M; Yu, S S; Peterson, P F; Rose, D V; Welch, D R
2004-01-01
The heavy-ion fusion (HIF) community recently developed a power-plant design that meets the various requirements of accelerators, final focus, chamber transport, and targets. The point design is intended to minimize physics risk and is certainly not optimal for the cost of electricity. Recent chamber-transport simulations, however, indicate that changes in the beam ion species, the convergence angle, and the emittance might allow more-economical designs
The gyro-radius scaling of ion thermal transport from global numerical simulations of ITG turbulence
International Nuclear Information System (INIS)
Ottaviani, M.; Manfredi, G.
1998-12-01
A three-dimensional, fluid code is used to study the scaling of ion thermal transport caused by Ion-Temperature-Gradient-Driven (ITG) turbulence. The code includes toroidal effects and is capable of simulating the whole torus. It is found that both close to the ITG threshold and well above threshold, the thermal transport and the turbulence structures exhibit a gyro-Bohm scaling, at least for plasmas with moderate poloidal flow. (author)
PhreeqcRM: A reaction module for transport simulators based on the geochemical model PHREEQC
Parkhurst, David L.; Wissmeier, Laurin
2015-01-01
PhreeqcRM is a geochemical reaction module designed specifically to perform equilibrium and kinetic reaction calculations for reactive transport simulators that use an operator-splitting approach. The basic function of the reaction module is to take component concentrations from the model cells of the transport simulator, run geochemical reactions, and return updated component concentrations to the transport simulator. If multicomponent diffusion is modeled (e.g., Nernst–Planck equation), then aqueous species concentrations can be used instead of component concentrations. The reaction capabilities are a complete implementation of the reaction capabilities of PHREEQC. In each cell, the reaction module maintains the composition of all of the reactants, which may include minerals, exchangers, surface complexers, gas phases, solid solutions, and user-defined kinetic reactants.PhreeqcRM assigns initial and boundary conditions for model cells based on standard PHREEQC input definitions (files or strings) of chemical compositions of solutions and reactants. Additional PhreeqcRM capabilities include methods to eliminate reaction calculations for inactive parts of a model domain, transfer concentrations and other model properties, and retrieve selected results. The module demonstrates good scalability for parallel processing by using multiprocessing with MPI (message passing interface) on distributed memory systems, and limited scalability using multithreading with OpenMP on shared memory systems. PhreeqcRM is written in C++, but interfaces allow methods to be called from C or Fortran. By using the PhreeqcRM reaction module, an existing multicomponent transport simulator can be extended to simulate a wide range of geochemical reactions. Results of the implementation of PhreeqcRM as the reaction engine for transport simulators PHAST and FEFLOW are shown by using an analytical solution and the reactive transport benchmark of MoMaS.
Sadasivam, Sridhar; Ye, Ning; Feser, Joseph P.; Charles, James; Miao, Kai; Kubis, Tillmann; Fisher, Timothy S.
2017-02-01
Heat transfer across metal-semiconductor interfaces involves multiple fundamental transport mechanisms such as elastic and inelastic phonon scattering, and electron-phonon coupling within the metal and across the interface. The relative contributions of these different transport mechanisms to the interface conductance remains unclear in the current literature. In this work, we use a combination of first-principles calculations under the density functional theory framework and heat transport simulations using the atomistic Green's function (AGF) method to quantitatively predict the contribution of the different scattering mechanisms to the thermal interface conductance of epitaxial CoSi2-Si interfaces. An important development in the present work is the direct computation of interfacial bonding from density functional perturbation theory (DFPT) and hence the avoidance of commonly used "mixing rules" to obtain the cross-interface force constants from bulk material force constants. Another important algorithmic development is the integration of the recursive Green's function (RGF) method with Büttiker probe scattering that enables computationally efficient simulations of inelastic phonon scattering and its contribution to the thermal interface conductance. First-principles calculations of electron-phonon coupling reveal that cross-interface energy transfer between metal electrons and atomic vibrations in the semiconductor is mediated by delocalized acoustic phonon modes that extend on both sides of the interface, and phonon modes that are localized inside the semiconductor region of the interface exhibit negligible coupling with electrons in the metal. We also provide a direct comparison between simulation predictions and experimental measurements of thermal interface conductance of epitaxial CoSi2-Si interfaces using the time-domain thermoreflectance technique. Importantly, the experimental results, performed across a wide temperature range, only agree well with
Simulation of Reactive Constituent Fate and Transport in Hydrologic Simulator GSSHA
National Research Council Canada - National Science Library
Downer, Charles W
2009-01-01
The purpose of this System-Wide Water Resources Program (SWWRP) technical note is to describe the new fate and transport routines in the Gridded Surface Subsurface Hydrologic Analysis (GSSHA) model...
Bio-Inspired Multi-Functional Drug Transport Design Concept and Simulations.
Pidaparti, Ramana M; Cartin, Charles; Su, Guoguang
2017-04-25
In this study, we developed a microdevice concept for drug/fluidic transport taking an inspiration from supramolecular motor found in biological cells. Specifically, idealized multi-functional design geometry (nozzle/diffuser/nozzle) was developed for (i) fluidic/particle transport; (ii) particle separation; and (iii) droplet generation. Several design simulations were conducted to demonstrate the working principles of the multi-functional device. The design simulations illustrate that the proposed design concept is feasible for multi-functionality. However, further experimentation and optimization studies are needed to fully evaluate the multifunctional device concept for multiple applications.
Ionic diffusion in quartz studied by transport measurements, SIMS and atomistic simulations
International Nuclear Information System (INIS)
Sartbaeva, Asel; Wells, Stephen A; Redfern, Simon A T; Hinton, Richard W; Reed, Stephen J B
2005-01-01
Ionic diffusion in the quartz-β-eucryptite system is studied by DC transport measurements, SIMS and atomistic simulations. Transport data show a large transient increase in ionic current at the α-β phase transition of quartz (the Hedvall effect). The SIMS data indicate two diffusion processes, one involving rapid Li + motion and the other involving penetration of Al and Li atoms into quartz at the phase transition. Atomistic simulations explain why the fine microstructure of twin domain walls in quartz near the transition does not hinder Li + diffusion
Neutron transport simulation in high speed moving media using Geant4
Li, G.; Ciungu, B.; Harrisson, G.; Rogge, R. B.; Tun, Z.; van der Ende, B. M.; Zwiers, I.
2017-12-01
A method using Geant4 to simulate neutron transport in moving media is described. The method is implanted in the source code of the software since Geant4 does not intrinsically support a moving object. The simulation utilizes the existing physical model and data library in Geant4, combined with frame transformations to account for the effect of relative velocity between neutrons and the moving media. An example is presented involving a high speed rotating cylinder to verify this method and show the effect of moving media on neutron transport.
The simulation of solute transport: An approach free of numerical dispersion
International Nuclear Information System (INIS)
Carrera, J.; Melloni, G.
1987-01-01
The applicability of most algorithms for simulation of solute transport is limited either by instability or by numerical dispersion, as seen by a review of existing methods. A new approach is proposed that is free of these two problems. The method is based on the mixed Eulerian-Lagrangian formulation of the mass-transport problem, thus ensuring stability. Advection is simulated by a variation of reverse-particle tracking that avoids the accumulation of interpolation errors, thus preventing numerical dispersion. The algorithm has been implemented in a one-dimensional code. Excellent results are obtained, in comparison with an analytical solution. 36 refs., 14 figs., 1 tab
A one-dimensional transport code for the simulation of D-T burning tokamak plasma
International Nuclear Information System (INIS)
Tone, Tatsuzo; Maki, Koichi; Kasai, Masao; Nishida, Hidetsugu
1980-11-01
A one-dimensional transport code for D-T burning tokamak plasma has been developed, which simulates the spatial behavior of fuel ions(D, T), alpha particles, impurities, temperatures of ions and electrons, plasma current, neutrals, heating of alpha and injected beam particles. The basic transport equations are represented by one generalized equation so that the improvement of models and the addition of new equations may be easily made. A model of burn control using a variable toroidal field ripple is employed. This report describes in detail the simulation model, numerical method and the usage of the code. Some typical examples to which the code has been applied are presented. (author)
Comparison of Edge and Internal Transport Barriers in Drift Wave Predictive Simulations
DEFF Research Database (Denmark)
Weiland, J.; Crombe, K.; Mantica, P.
2011-01-01
We have simulated the formation of an internal transport barrier on JET including a self-consistent treatment of ion and electron temperatures and poloidal and toroidal momentum. Similar simulations of edge transport barriers, including the L-H transition have also been made. However, here only p...... for the internal barrier. For the edge barrier the edge density was varied and it turned out that a lower edge density gave a stronger barrier. Electromagnetic and nonlocal effects were important for both types of barriers. [ABSTRACT FROM AUTHOR]......We have simulated the formation of an internal transport barrier on JET including a self-consistent treatment of ion and electron temperatures and poloidal and toroidal momentum. Similar simulations of edge transport barriers, including the L-H transition have also been made. However, here only...... polodal momentum and the temperatures were simulated. The internal barrier included an anomalous spinup of poloidal momentum similar to that in the experiment. Also the edge barrier was accompanied by a spinup of poloidal momentum. The experimental density (with no barrier) was used and kept fixed...
Numerical simulations for radiation hydrodynamics. 2: Transport limit
International Nuclear Information System (INIS)
Dai, W.W.; Woodward, P.R.
2000-01-01
A finite difference scheme is proposed for two-dimensional radiation hydrodynamical equations in the transport limit. The scheme is of Godunov-type, in which the set of time-averaged flux needed in the scheme is calculated through Riemann problems solved. In the scheme, flow signals are explicitly treated, while radiation signals are implicitly treated. Flow fields and radiation fields are updated simultaneously. An iterative approach is proposed to solve the set of nonlinear algebraic equations arising from the implicitness of the scheme. The sweeping method used in the scheme significantly reduces the number of iterations or computer CPU time needed. A new approach to further accelerate the convergence is proposed, which further reduces the number of iterations needed by more than one order. No matter how many cells radiation signals propagate in one time step, only an extremely small number of iterations are needed in the scheme, and each iteration costs only about 0.8% of computer CPU time which is needed for one time step of a second order accurate and fully explicit scheme. Two-dimensional problems are treated through a dimensionally split technique. Therefore, iterations for solving the set of algebraic equations are carried out only in each one-dimensional sweep. Through numerical examples it is shown that the scheme keeps the principle advantages of Godunov schemes for flow motion. In the time scale of flow motion numerical results are the same as those obtained from a second order accurate and fully explicit scheme. The acceleration of the convergence proposed in this paper may be directly applied to other hyperbolic systems. This study is important for laser fusion and astrophysics
Parker, Jeffrey; Lodestro, Lynda; Told, Daniel; Merlo, Gabriele; Ricketson, Lee; Campos, Alejandro; Jenko, Frank; Hittinger, Jeffrey
2017-10-01
Predictive whole-device simulation models will play an increasingly important role in ensuring the success of fusion experiments and accelerating the development of fusion energy. In the core of tokamak plasmas, a separation of timescales between turbulence and transport makes a single direct simulation of both processes computationally expensive. We present the first demonstration of a multiple-timescale method coupling global gyrokinetic simulations with a transport solver to calculate the self-consistent, steady-state temperature profile. Initial results are highly encouraging, with the coupling method appearing robust to the difficult problem of turbulent fluctuations. The method holds potential for integrating first-principles turbulence simulations into whole-device models and advancing the understanding of global plasma behavior. Work supported by US DOE under Contract DE-AC52-07NA27344 and the Exascale Computing Project (17-SC-20-SC).
Monte Carlo Simulation of Electron Transport in 4H- and 6H-SiC
International Nuclear Information System (INIS)
Sun, C. C.; You, A. H.; Wong, E. K.
2010-01-01
The Monte Carlo (MC) simulation of electron transport properties at high electric field region in 4H- and 6H-SiC are presented. This MC model includes two non-parabolic conduction bands. Based on the material parameters, the electron scattering rates included polar optical phonon scattering, optical phonon scattering and acoustic phonon scattering are evaluated. The electron drift velocity, energy and free flight time are simulated as a function of applied electric field at an impurity concentration of 1x10 18 cm 3 in room temperature. The simulated drift velocity with electric field dependencies is in a good agreement with experimental results found in literature. The saturation velocities for both polytypes are close, but the scattering rates are much more pronounced for 6H-SiC. Our simulation model clearly shows complete electron transport properties in 4H- and 6H-SiC.
Barajas-Solano, D. A.; Tartakovsky, A. M.
2017-12-01
We present a multiresolution method for the numerical simulation of flow and reactive transport in porous, heterogeneous media, based on the hybrid Multiscale Finite Volume (h-MsFV) algorithm. The h-MsFV algorithm allows us to couple high-resolution (fine scale) flow and transport models with lower resolution (coarse) models to locally refine both spatial resolution and transport models. The fine scale problem is decomposed into various "local'' problems solved independently in parallel and coordinated via a "global'' problem. This global problem is then coupled with the coarse model to strictly ensure domain-wide coarse-scale mass conservation. The proposed method provides an alternative to adaptive mesh refinement (AMR), due to its capacity to rapidly refine spatial resolution beyond what's possible with state-of-the-art AMR techniques, and the capability to locally swap transport models. We illustrate our method by applying it to groundwater flow and reactive transport of multiple species.
Simulation-Based Planning and Control of Transport Flows in Port Logistic Systems
Directory of Open Access Journals (Sweden)
Antonio Diogo Passos Lima
2015-01-01
Full Text Available In highly dynamic and uncertain transport conditions, transport transit time has to be continuously monitored so that the service level is ensured at a proper cost. The aim of this research is to propose and to test a procedure which allows an agile planning and control of transport flows in port logistic systems. The procedure couples an agent-based simulation and a queueing theory model. In this paper, the transport scheduling performed by an agent at the intermodal terminal was taken into consideration. The decision-making agent takes into account data which is acquired in remote points of the system. The obtained results indicate the relevance of continuously considering, for the transport planning and control, the expected transit time and further waiting times along port logistic systems.
MCNPX proton transport simulations for a therapy set-up
International Nuclear Information System (INIS)
Herault, J.; Iborra, N.; Chauvel, P.; Serrano, B.
2005-01-01
Patients with ocular melanoma have been treated since June 1991 at the medical cyclotron of the Centre Antoine Lacassagne (CAL). Positions and sizes of the ocular nozzle elements were initially defined based on experimental work, taking as a pattern functional existing facilities. Nowadays Monte Carlo (MC) calculation offers a tool to refine this geometry by adjusting size and place of beam modelling devices. Moreover, the MC tool is a useful way to calculate the dose and to evaluate the impact of secondary particles in the field of radiotherapy or radiation protection. Both LINAC and cyclotron producing X-rays, electrons, protons and neutrons are available in CAL, which suggests choosing MCNPX for its particle versatility. As a first step, the existing installation was input in MCNPX to check its aptitude to reproduce experimentally measured depth-dose profile, lateral profile. Relative comparisons of percentage depth-dose and lateral profiles, performed between measured data and simulations, show an agreement of the order of 2% in dose and 0.1 mm in range accuracy. These comparisons carried out with and without beam-modifying device, yield results compatible to the required precision in ocular melanoma treatments, as long as adequate choices are made on MCNPX input decks for physics card. (authors)
Multi-scale modelling and numerical simulation of electronic kinetic transport
International Nuclear Information System (INIS)
Duclous, R.
2009-11-01
This research thesis which is at the interface between numerical analysis, plasma physics and applied mathematics, deals with the kinetic modelling and numerical simulations of the electron energy transport and deposition in laser-produced plasmas, having in view the processes of fuel assembly to temperature and density conditions necessary to ignite fusion reactions. After a brief review of the processes at play in the collisional kinetic theory of plasmas, with a focus on basic models and methods to implement, couple and validate them, the author focuses on the collective aspect related to the free-streaming electron transport equation in the non-relativistic limit as well as in the relativistic regime. He discusses the numerical development and analysis of the scheme for the Vlasov-Maxwell system, and the selection of a validation procedure and numerical tests. Then, he investigates more specific aspects of the collective transport: the multi-specie transport, submitted to phase-space discontinuities. Dealing with the multi-scale physics of electron transport with collision source terms, he validates the accuracy of a fast Monte Carlo multi-grid solver for the Fokker-Planck-Landau electron-electron collision operator. He reports realistic simulations for the kinetic electron transport in the frame of the shock ignition scheme, the development and validation of a reduced electron transport angular model. He finally explores the relative importance of the processes involving electron-electron collisions at high energy by means a multi-scale reduced model with relativistic Boltzmann terms
Amonlirdviman, Keith; Farley, Todd C.; Hansman, R. John, Jr.; Ladik, John F.; Sherer, Dana Z.
1998-01-01
A distributed real-time simulation of the civil air traffic environment developed to support human factors research in advanced air transportation technology is presented. The distributed environment is based on a custom simulation architecture designed for simplicity and flexibility in human experiments. Standard Internet protocols are used to create the distributed environment, linking all advanced cockpit simulator, all Air Traffic Control simulator, and a pseudo-aircraft control and simulation management station. The pseudo-aircraft control station also functions as a scenario design tool for coordinating human factors experiments. This station incorporates a pseudo-pilot interface designed to reduce workload for human operators piloting multiple aircraft simultaneously in real time. The application of this distributed simulation facility to support a study of the effect of shared information (via air-ground datalink) on pilot/controller shared situation awareness and re-route negotiation is also presented.
Blood oxygen transport in common map turtles during simulated hibernation.
Maginniss, Leigh A; Ekelund, Summer A; Ultsch, Gordon R
2004-01-01
We assessed the effects of cold and submergence on blood oxygen transport in common map turtles (Graptemys geographica). Winter animals were acclimated for 6-7 wk to one of three conditions at 3 degrees C: air breathing (AB-3 degrees C), normoxic submergence (NS-3 degrees C), and hypoxic (PO2=49 Torr) submergence (HS-3 degrees C). NS-3 degrees C turtles exhibited a respiratory alkalosis (pH 8.07; PCO2=7.9 Torr; [lactate]=2.2 mM) relative to AB-3 degrees C animals (pH 7.89; PCO2=13.4 Torr; [lactate]=1.1 mM). HS-3 degrees C animals experienced a profound metabolic acidosis (pH 7.30; PCO2=7.9 Torr; [lactate]=81 mM). NS-3 degrees C turtles exhibited an increased blood O2 capacity; however, isoelectric focusing revealed no seasonal changes in the isohemoglobin (isoHb) profile. Blood O2 affinity was significantly increased by cold acclimation; half-saturation pressures (P50's) for air-breathing turtles at 3 degrees and 22 degrees C were 6.5 and 18.8 Torr, respectively. P50's for winter animals submerged in normoxic and hypoxic water were 5.2 and 6.5 Torr, respectively. CO2 Bohr slopes (Delta logP50/Delta pH) were -0.15, -0.16, and -0.07 for AB-3 degrees C, NS-3 degrees C, and HS-3 degrees C turtles, respectively; the corresponding value for AB-22 degrees C was -0.37. The O2 equilibrium curve (O2EC) shape was similar for AB-3 degrees C and NS-3 degrees C turtles; Hill plot n coefficients ranged from 1.8 to 2.0. The O2EC shape for HS-3 degrees C turtles was anomalous, exhibiting high O2 affinity below P50 and a right-shifted segment above half-saturation. We suggest that increases in Hb-O2 affinity and O2 capacity enhance extrapulmonary O2 uptake by turtles overwintering in normoxic water. The anomalous O2EC shape and reduced CO2 Bohr effect of HS-3 degrees C turtles may also promote some aerobic metabolism in hypoxic water.
Noble Gas Surface Flux Simulations And Atmospheric Transport
Energy Technology Data Exchange (ETDEWEB)
Carrigan, Charles R. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Sun, Yunwei [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Simpson, Matthew D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2017-09-30
Signatures from underground nuclear explosions or UNEs are strongly influenced by the containment regime surrounding them. The degree of gas leakage from the detonation cavity to the surface obviously affects the magnitude of surface fluxes of radioxenon that might be detected during the course of a Comprehensive Test Ban Treaty On-Site Inspection. In turn, the magnitude of surface fluxes will influence the downwind detectability of the radioxenon atmospheric signature from the event. Less obvious is the influence that leakage rates have on the evolution of radioxenon isotopes in the cavity or the downwind radioisotopic measurements that might be made. The objective of this letter report is to summarize our attempt to better understand how containment conditions affect both the detection and interpretation of radioxenon signatures obtained from sampling at the ground surface near an event as well as at greater distances in the atmosphere. In the discussion that follows, we make no attempt to consider other sources of radioactive noble gases such as natural backgrounds or atmospheric contamination and, for simplicity, only focus on detonation-produced radioxenon gases. Summarizing our simulations, they show that the decay of radioxenon isotopes (e.g., Xe-133, Xe-131m, Xe-133m and Xe-135) and their migration to the surface following a UNE means that the possibility of detecting these gases exists within a window of opportunity. In some cases, seeps or venting of detonation gases may allow significant quantities to reach the surface and be released into the atmosphere immediately following a UNE. In other release scenarios – the ones we consider here – hours to days may be required for gases to reach the surface at detectable levels. These release models are most likely more characteristic of “fully contained” events that lack prompt venting, but which still leak gas slowly across the surface for periods of months.
Molecular Simulation and Biochemical Studies Support an Elevator-type Transport Mechanism in EIIC.
Lee, Jumin; Ren, Zhenning; Zhou, Ming; Im, Wonpil
2017-06-06
Enzyme IIC (EIIC) is a membrane-embedded sugar transport protein that is part of the phosphoenolpyruvate-dependent phosphotransferases. Crystal structures of two members of the glucose EIIC superfamily, bcChbC in the inward-facing conformation and bcMalT in the outward-facing conformation, were previously solved. Comparing the two structures led us to the hypothesis that sugar translocation could be achieved by an elevator-type transport mechanism in which a transport domain binds to the substrate and, through rigid body motions, transports it across the membrane. To test this hypothesis and to obtain more accurate descriptions of alternate conformations of the two proteins, we first performed collective variable-based steered molecular dynamics (CVSMD) simulations starting with the two crystal structures embedded in model lipid bilayers, and steered their transport domain toward their own alternative conformation. Our simulations show that large rigid-body motions of the transport domain (55° in rotation and 8 Å in translation) lead to access of the substrate binding site to the alternate side of the membrane. H-bonding interactions between the sugar and the protein are intact, although the side chains of the binding-site residues were not restrained in the simulation. Pairs of residues in bcMalT that are far apart in the crystal structure become close to each other in the simulated model. Some of these pairs can be cross-linked by a mercury ion when mutated to cysteines, providing further support for the CVSMD-generated model. In addition, bcMalT binds to maltose with similar affinities before and after the cross-linking, suggesting that the binding site is preserved after the conformational change. In combination, these results support an elevator-type transport mechanism in EIIC. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.
GPU accelerated simulations of 3D deterministic particle transport using discrete ordinates method
International Nuclear Information System (INIS)
Gong Chunye; Liu Jie; Chi Lihua; Huang Haowei; Fang Jingyue; Gong Zhenghu
2011-01-01
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 (S n ) 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.
Study on Photon Transport Problem Based on the Platform of Molecular Optical Simulation Environment
Peng, Kuan; Gao, Xinbo; Liang, Jimin; Qu, Xiaochao; Ren, Nunu; Chen, Xueli; Ma, Bin; Tian, Jie
2010-01-01
As an important molecular imaging modality, optical imaging has attracted increasing attention in the recent years. Since the physical experiment is usually complicated and expensive, research methods based on simulation platforms have obtained extensive attention. We developed a simulation platform named Molecular Optical Simulation Environment (MOSE) to simulate photon transport in both biological tissues and free space for optical imaging based on noncontact measurement. In this platform, Monte Carlo (MC) method and the hybrid radiosity-radiance theorem are used to simulate photon transport in biological tissues and free space, respectively, so both contact and noncontact measurement modes of optical imaging can be simulated properly. In addition, a parallelization strategy for MC method is employed to improve the computational efficiency. In this paper, we study the photon transport problems in both biological tissues and free space using MOSE. The results are compared with Tracepro, simplified spherical harmonics method (S P n), and physical measurement to verify the performance of our study method on both accuracy and efficiency. PMID:20445737
Study on Photon Transport Problem Based on the Platform of Molecular Optical Simulation Environment
Directory of Open Access Journals (Sweden)
Kuan Peng
2010-01-01
Full Text Available As an important molecular imaging modality, optical imaging has attracted increasing attention in the recent years. Since the physical experiment is usually complicated and expensive, research methods based on simulation platforms have obtained extensive attention. We developed a simulation platform named Molecular Optical Simulation Environment (MOSE to simulate photon transport in both biological tissues and free space for optical imaging based on noncontact measurement. In this platform, Monte Carlo (MC method and the hybrid radiosity-radiance theorem are used to simulate photon transport in biological tissues and free space, respectively, so both contact and noncontact measurement modes of optical imaging can be simulated properly. In addition, a parallelization strategy for MC method is employed to improve the computational efficiency. In this paper, we study the photon transport problems in both biological tissues and free space using MOSE. The results are compared with Tracepro, simplified spherical harmonics method (SPn, and physical measurement to verify the performance of our study method on both accuracy and efficiency.
Study on photon transport problem based on the platform of molecular optical simulation environment.
Peng, Kuan; Gao, Xinbo; Liang, Jimin; Qu, Xiaochao; Ren, Nunu; Chen, Xueli; Ma, Bin; Tian, Jie
2010-01-01
As an important molecular imaging modality, optical imaging has attracted increasing attention in the recent years. Since the physical experiment is usually complicated and expensive, research methods based on simulation platforms have obtained extensive attention. We developed a simulation platform named Molecular Optical Simulation Environment (MOSE) to simulate photon transport in both biological tissues and free space for optical imaging based on noncontact measurement. In this platform, Monte Carlo (MC) method and the hybrid radiosity-radiance theorem are used to simulate photon transport in biological tissues and free space, respectively, so both contact and noncontact measurement modes of optical imaging can be simulated properly. In addition, a parallelization strategy for MC method is employed to improve the computational efficiency. In this paper, we study the photon transport problems in both biological tissues and free space using MOSE. The results are compared with Tracepro, simplified spherical harmonics method (SP(n)), and physical measurement to verify the performance of our study method on both accuracy and efficiency.
GPU accelerated simulations of 3D deterministic particle transport using discrete ordinates method
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.
A Global System for Transportation Simulation and Visualization in Emergency Evacuation Scenarios
Energy Technology Data Exchange (ETDEWEB)
Lu, Wei [ORNL; Liu, Cheng [ORNL; Thomas, Neil [ORNL; Bhaduri, Budhendra L [ORNL; Han, Lee [University of Tennessee, Knoxville (UTK)
2015-01-01
Simulation-based studies are frequently used for evacuation planning and decision making processes. Given the transportation systems complexity and data availability, most evacuation simulation models focus on certain geographic areas. With routine improvement of OpenStreetMap road networks and LandScanTM global population distribution data, we present WWEE, a uniform system for world-wide emergency evacuation simulations. WWEE uses unified data structure for simulation inputs. It also integrates a super-node trip distribution model as the default simulation parameter to improve the system computational performance. Two levels of visualization tools are implemented for evacuation performance analysis, including link-based macroscopic visualization and vehicle-based microscopic visualization. For left-hand and right-hand traffic patterns in different countries, the authors propose a mirror technique to experiment with both scenarios without significantly changing traffic simulation models. Ten cities in US, Europe, Middle East, and Asia are modeled for demonstration. With default traffic simulation models for fast and easy-to-use evacuation estimation and visualization, WWEE also retains the capability of interactive operation for users to adopt customized traffic simulation models. For the first time, WWEE provides a unified platform for global evacuation researchers to estimate and visualize their strategies performance of transportation systems under evacuation scenarios.
Numerical simulation of the anomalous transport at the plasma-edge
International Nuclear Information System (INIS)
Pohn, E.
2001-03-01
In addition to the classical transport which is caused by Coloumb-collisions two further transport mechanisms take place in an inhomogeneous magnetically confined thermonuclear fusion-plasma, the neoclassical and the anomalous transport. The anomalous transport is caused by collective motion of the plasma-particles respectively turbulence and essentially affects the energy-confinement-time of the plasma. The energy-confinement-time in turn constitutes an important criterion with respect to the feasibility of using nuclear fusion for energy production. The anomalous transport is theoretically not yet well understood. By means of numerical simulations of the anomalous transport in the plasma edge, it is the intention of this work to contribute to the understanding of this transport mechanism. The Vlasov-Poisson-system constitutes the starting point for all performed simulations. This system consists of kinetic equations, which model for each particle-species the motion of the particles composing the plasma in six-dimensional phase-space. A coupling of these kinetic equations occurs due to the Poisson-equation, resulting in a nonlinear system of differential equations. The time evolution of this system was calculated numerically. On the one hand, simulations were performed where the whole velocity-space was retained. This fully-kinetic model was applied for the spatially one- as well as two-dimensional case. In the one-dimensional case only the radial direction of the plasma-edge was modeled, i.e. the direction along which the plasma joins to the vacuum. When performing the spatially two-dimensional simulations, in addition the poloidal direction has been regarded. A second set of simulations was performed using a gyro-kinetic model. In this model only the velocity-component parallel to the magnetic field vector is retained. The components perpendicular to the magnetic field vector, which are responsible for the gyration of particles, are omitted from phase-space but
Monte Carlo particle simulation and finite-element techniques for tandem mirror transport
International Nuclear Information System (INIS)
Rognlien, T.D.; Cohen, B.I.; Matsuda, Y.; Stewart, J.J. Jr.
1987-01-01
A description is given of numerical methods used in the study of axial transport in tandem mirrors owing to Coulomb collisions and rf diffusion. The methods are Monte Carlo particle simulations and direct solution to the Fokker-Planck equations by finite-element expansion. (author)
International Nuclear Information System (INIS)
Jacquot, C.
1976-01-01
Computer simulation and nuclear emulsion and gelatin techniques enabled to give the total elastic and inelastic cross sections and to forecast the spatial microdose distributions in cells, nuclei and molecules. For this purpose, the transport of a beam into tissues having a given composition is calculated, the nuclear reactions are generated and the energy depositions in standard planes perpendicular to the beam are recorded
Monte Carlo particle simulation and finite-element techniques for tandem mirror transport
International Nuclear Information System (INIS)
Rognlien, T.D.; Cohen, B.I.; Matsuda, Y.; Stewart, J.J. Jr.
1985-12-01
A description is given of numerical methods used in the study of axial transport in tandem mirrors owing to Coulomb collisions and rf diffusion. The methods are Monte Carlo particle simulations and direct solution to the Fokker-Planck equations by finite-element expansion. 11 refs
Parker, Jeffrey B.; LoDestro, Lynda L.; Told, Daniel; Merlo, Gabriele; Ricketson, Lee F.; Campos, Alejandro; Jenko, Frank; Hittinger, Jeffrey A. F.
2018-05-01
The vast separation dividing the characteristic times of energy confinement and turbulence in the core of toroidal plasmas makes first-principles prediction on long timescales extremely challenging. Here we report the demonstration of a multiple-timescale method that enables coupling global gyrokinetic simulations with a transport solver to calculate the evolution of the self-consistent temperature profile. This method, which exhibits resiliency to the intrinsic fluctuations arising in turbulence simulations, holds potential for integrating nonlocal gyrokinetic turbulence simulations into predictive, whole-device models.
Bray, Richard S.; Larsen, William E.
1965-01-01
An investigation of several factors which may contribute to the problem of piloting jet transport aircraft in heavy turbulence was conducted by using a piloted simulator that included the most significant airplane response and cockpit vibrations induced by rough air. Results indicated that the primary fuselage structural frequency contributed significantly to a distracting cockpit environment, and there was obtained evidence of severely reduced instrument flight proficiency during simulated maneuvering flight in heavy turbulence. It is concluded that the addition of similar rough-air response capabilities to training simulators would be of value in pilot indoctrination in turbulent-flight procedures.
DEFF Research Database (Denmark)
Jørgensen, Anne Marie; Tagmose, L.; Jørgensen, A.M.M.
2007-01-01
We have performed molecular dynamics simulations of a homology model of the human serotonin transporter (hSERT) in a membrane environment and in complex with either the natural substrate S-HT or the selective serotonin reuptake inhibitor escitaloprom. We have also included a transporter homologue......, the Aquifex aeolicus leucine transporter (LeuT), in our study to evaluate the applicability of a simple and computationally attractive membrane system. Fluctuations in LeuT extracted from simulations are in good agreement with crystal logrophic B factors. Furthermore, key interactions identified in the X....... Specific interactions responsible for ligand recognition, are identified in the hSERT-5HT and hSERT-escitaloprom complexes. Our finding5 are in good agreement with predictions from mutagenesis studies....
Theory-based transport simulations of TFTR L-mode temperature profiles
International Nuclear Information System (INIS)
Bateman, G.
1991-01-01
The temperature profiles from a selection of TFTR L-mode discharges are simulated with the 1-1/2-D BALDUR transport code using a combination of theoretically derived transport models, called the Multi-Mode Model. The present version of the Multi-Mode Model consists of effective thermal diffusivities resulting from trapped electron modes and ion temperature gradient (η i ) modes, which dominate in the core of the plasma, together with resistive ballooning modes, which dominate in the periphery. Within the context of this transport model and the TFTR simulations reported here, the scaling of confinement with heating power comes from the temperature dependence of the η i and trapped electron modes, while the scaling with current comes mostly from resistive ballooning modes. 24 refs., 16 figs., 3 tabs
Numerical Simulation of Flow and Suspended Sediment Transport in the Distributary Channel Networks
Directory of Open Access Journals (Sweden)
Wei Zhang
2014-01-01
Full Text Available Flow and suspended sediment transport in distributary channel networks play an important role in the evolution of deltas and estuaries, as well as the coastal environment. In this study, a 1D flow and suspended sediment transport model is presented to simulate the hydrodynamics and suspended sediment transport in the distributary channel networks. The governing equations for river flow are the Saint-Venant equations and for suspended sediment transport are the nonequilibrium transport equations. The procedure of solving the governing equations is firstly to get the matrix form of the water level and suspended sediment concentration at all connected junctions by utilizing the transformation of the governing equations of the single channel. Secondly, the water level and suspended sediment concentration at all junctions can be obtained by solving these irregular spare matrix equations. Finally, the water level, discharge, and suspended sediment concentration at each river section can be calculated. The presented 1D flow and suspended sediment transport model has been applied to the Pearl River networks and can reproduce water levels, discharges, and suspended sediment concentration with good accuracy, indicating this that model can be used to simulate the hydrodynamics and suspended sediment concentration in the distributary channel networks.
Monte Carlo simulation of nonlinear reactive contaminant transport in unsaturated porous media
International Nuclear Information System (INIS)
Giacobbo, F.; Patelli, E.
2007-01-01
In the current proposed solutions of radioactive waste repositories, the protective function against the radionuclide water-driven transport back to the biosphere is to be provided by an integrated system of engineered and natural geologic barriers. The occurrence of several nonlinear interactions during the radionuclide migration process may render burdensome the classical analytical-numerical approaches. Moreover, the heterogeneity of the barriers' media forces approximations to the classical analytical-numerical models, thus reducing their fidelity to reality. In an attempt to overcome these difficulties, in the present paper we adopt a Monte Carlo simulation approach, previously developed on the basis of the Kolmogorov-Dmitriev theory of branching stochastic processes. The approach is here extended for describing transport through unsaturated porous media under transient flow conditions and in presence of nonlinear interchange phenomena between the liquid and solid phases. This generalization entails the determination of the functional dependence of the parameters of the proposed transport model from the water content and from the contaminant concentration, which change in space and time during the water infiltration process. The corresponding Monte Carlo simulation approach is verified with respect to a case of nonreactive transport under transient unsaturated flow and to a case of nonlinear reactive transport under stationary saturated flow. Numerical applications regarding linear and nonlinear reactive transport under transient unsaturated flow are reported
Pearl, Thomas; Mantooth, Brent; Varady, Mark; Willis, Matthew
2014-03-01
Chemical warfare agent simulants are often used for environmental testing in place of highly toxic agents. This work sets the foundation for modeling decontamination of absorbing polymeric materials with the focus on determining relationships between agents and simulants. The correlations of agents to simulants must consider the three way interactions in the chemical-material-decontaminant system where transport and reaction occur in polymer materials. To this end, diffusion modeling of the subsurface transport of simulants and live chemical warfare agents was conducted for various polymer systems (e.g., paint coatings) with and without reaction pathways with applied decontamination. The models utilized 1D and 2D finite difference diffusion and reaction models to simulate absorption and reaction in the polymers, and subsequent flux of the chemicals out of the polymers. Experimental data including vapor flux measurements and dynamic contact angle measurements were used to determine model input parameters. Through modeling, an understanding of the relationship of simulant to live chemical warfare agent was established, focusing on vapor emission of agents and simulants from materials.
Monte Carlo simulations of the particle transport in semiconductor detectors of fast neutrons
International Nuclear Information System (INIS)
Sedlačková, Katarína; Zaťko, Bohumír; Šagátová, Andrea; Nečas, Vladimír
2013-01-01
Several Monte Carlo all-particle transport codes are under active development around the world. In this paper we focused on the capabilities of the MCNPX code (Monte Carlo N-Particle eXtended) to follow the particle transport in semiconductor detector of fast neutrons. Semiconductor detector based on semi-insulating GaAs was the object of our investigation. As converter material capable to produce charged particles from the (n, p) interaction, a high-density polyethylene (HDPE) was employed. As the source of fast neutrons, the 239 Pu–Be neutron source was used in the model. The simulations were performed using the MCNPX code which makes possible to track not only neutrons but also recoiled protons at all interesting energies. Hence, the MCNPX code enables seamless particle transport and no other computer program is needed to process the particle transport. The determination of the optimal thickness of the conversion layer and the minimum thickness of the active region of semiconductor detector as well as the energy spectra simulation were the principal goals of the computer modeling. Theoretical detector responses showed that the best detection efficiency can be achieved for 500 μm thick HDPE converter layer. The minimum detector active region thickness has been estimated to be about 400 μm. -- Highlights: ► Application of the MCNPX code for fast neutron detector design is demonstrated. ► Simulations of the particle transport through conversion film of HDPE are presented. ► Simulations of the particle transport through detector active region are presented. ► The optimal thickness of the HDPE conversion film has been calculated. ► Detection efficiency of 0.135% was reached for 500 μm thick HDPE conversion film
Simulation and modeling of the Gamble II self-pinched ion beam transport experiment
International Nuclear Information System (INIS)
Rose, D.V.; Ottinger, P.F.; Hinshelwood, D.D.
1999-01-01
Progress in numerical simulations and modeling of the self-pinched ion beam transport experiment at the Naval Research Laboratory (NRL) is reviewed. In the experiment, a 1.2-MeV, 100-kA proton beam enters a 1-m long, transport region filled with a low pressure gas (30--250 mTorr helium, or 1 Torr air). The time-dependent velocity distribution function of the injected ion beam is determined from an orbit code that uses a pinch-reflex ion diode model and the measured voltage and current from this diode on the Gamble II generator at NRL. This distribution function is used as the beam input condition for numerical simulations carried out using the hybrid particle-in-cell code IPROP. Results of the simulations will be described, and detailed comparisons will be made with various measurements, including line-integrated electron-density, proton-fluence, and beam radial-profile measurements. As observed in the experiment, the simulations show evidence of self-pinching for helium pressures between 35 and 80 mTorr. Simulations and measurements in 1 Torr air show ballistic transport. The relevance of these results to ion-driven inertial confinement fusion will be discussed
Votrubova, Jana; Vogel, Tomas; Dohnal, Michal; Dusek, Jaromir
2015-04-01
Coupled simulations of soil water flow and associated transport of substances have become a useful and increasingly popular tool of subsurface hydrology. Quality of such simulations is directly affected by correctness of its hydraulic part. When near-surface processes under vegetation cover are of interest, appropriate representation of the root water uptake becomes essential. Simulation study of coupled water and heat transport in soil profile under natural conditions was conducted. One-dimensional dual-continuum model (S1D code) with semi-separate flow domains representing the soil matrix and the network of preferential pathways was used. A simple root water uptake model based on water-potential-gradient (WPG) formulation was applied. As demonstrated before [1], the WPG formulation - capable of simulating both the compensatory root water uptake (in situations when reduced uptake from dry layers is compensated by increased uptake from wetter layers), and the root-mediated hydraulic redistribution of soil water - enables simulation of more natural soil moisture distribution throughout the root zone. The potential effect on heat transport in a soil profile is the subject of the present study. [1] Vogel T., M. Dohnal, J. Dusek, J. Votrubova, and M. Tesar. 2013. Macroscopic modeling of plant water uptake in a forest stand involving root-mediated soil-water redistribution. Vadose Zone Journal, 12, 10.2136/vzj2012.0154. The research was supported by the Czech Science Foundation Project No. 14-15201J.
ANOMALOUS TRANSPORT OF HIGH-ENERGY COSMIC RAYS IN GALACTIC SUPERBUBBLES. I. NUMERICAL SIMULATIONS
International Nuclear Information System (INIS)
Barghouty, A. F.; Schnee, D. A.
2012-01-01
We present a simple continuous-time random-walk model for the transport of energetic particles accelerated by a collection of supernova explosions in a galactic superbubble, developed to simulate and highlight signatures of anomalous transport on the particles' evolution and their spectra in a multi-shock context. We assume standard diffusive shock acceleration (DSA) theory for each shock encounter. The superbubble (an OB stars association) is idealized as a heterogeneous region of particle sources and sinks bounded by a random surface. The model is based on two coupled stochastic differential equations and is applied for protons and alpha particles. Using characteristic values for a typical bubble, our simulations suggest that acceleration and transport in the bubble may be sub-diffusive. In addition, a spectral break in the particles' evolution and spectra is evident located at ≈10 15 eV for protons and ≈3 × 10 15 eV for alphas. Our simulations are consistent with a bubble's mean magnetic field strength of ≈1 μG and a shock separation distance ∼0.1 × the characteristic radius of the bubble. The simulations imply that the diffusion coefficient (for the elementary shock acceleration process) is ∼ 27 cm 2 s –1 at 1 GeV/c. While the sub-diffusive transport is readily attributed to the stochastic nature of the acceleration time according to DSA theory, the spectral break appears to be an artifact of transport in a finite medium. These simulations point to a new and intriguing phenomenon associated with the statistical nature of collective acceleration of high-energy cosmic rays in galactic superbubbles.
Numerical Simulation of Ion Transport in a Nano-Electrospray Ion Source at Atmospheric Pressure
Wang, Wei; Bajic, Steve; John, Benzi; Emerson, David R.
2018-03-01
Understanding ion transport properties from the ion source to the mass spectrometer (MS) is essential for optimizing device performance. Numerical simulation helps in understanding of ion transport properties and, furthermore, facilitates instrument design. In contrast to previously reported numerical studies, ion transport simulations in a continuous injection mode whilst considering realistic space-charge effects have been carried out. The flow field was solved using Reynolds-averaged Navier-Stokes (RANS) equations, and a particle-in-cell (PIC) method was applied to solve a time-dependent electric field with local charge density. A series of ion transport simulations were carried out at different cone gas flow rates, ion source currents, and capillary voltages. A force evaluation analysis reveals that the electric force, the drag force, and the Brownian force are the three dominant forces acting on the ions. Both the experimental and simulation results indicate that cone gas flow rates of ≤250 slph (standard liter per hour) are important for high ion transmission efficiency, as higher cone gas flow rates reduce the ion signal significantly. The simulation results also show that the ion transmission efficiency reduces exponentially with an increased ion source current. Additionally, the ion loss due to space-charge effects has been found to be predominant at a higher ion source current, a lower capillary voltage, and a stronger cone gas counterflow. The interaction of the ion driving force, ion opposing force, and ion dispersion is discussed to illustrate ion transport mechanism in the ion source at atmospheric pressure. [Figure not available: see fulltext.
Preliminary Simulations of CO2 Transport in the Dolostone Formations in the Ordos Basin, China
Energy Technology Data Exchange (ETDEWEB)
Hao, Y; Wolery, T; Carroll, S
2009-04-30
This report summarizes preliminary 2-D reactive-transport simulations on the injection, storage and transport of supercritical CO{sub 2} in dolostone formations in the Ordos Basin in China. The purpose of the simulations was to evaluate the role that basin heterogeneity, permeability, CO{sub 2} flux, and geochemical reactions between the carbonate geology and the CO{sub 2} equilibrated brines have on the evolution of porosity and permeability in the storage reservoir. The 2-D simulation of CO{sub 2} injection at 10{sup 3} ton/year corresponds to CO{sub 2} injection at a rate of 3 x 10{sup 5} ton/year in a 3-D, low permeable rock. An average permeability of 10 md was used in the simulation and reflects the upper range of permeability reported for the Ordos Basin Majiagou Group. Transport and distribution of CO{sub 2} between in the gas, aqueous, and solid phases were followed during a 10-year injection phase and a 10-year post injection phase. Our results show that CO{sub 2} flux and the spatial distribution of reservoir permeability will dictate the transport of CO{sub 2} in the injection and post injection phases. The injection rate of supercritical CO{sub 2} into low permeable reservoirs may need to be adjusted to avoid over pressure and mechanical damage to the reservoir. Although it should be noted that 3-D simulations are needed to more accurately model pressure build-up in the injection phase. There is negligible change in porosity and permeability due to carbonate mineral dissolution or anhydrite precipitation because a very small amount of carbonate dissolution is required to reach equilibrium with respect these phases. Injected CO{sub 2} is stored largely in supercritical and dissolved phases. During the injection phase, CO{sub 2} is transport driven by pressure build up and CO{sub 2} buoyancy.
Juncosa, Ricardo; Samper, Javier; Navarro, Vicente; Delgado, Jorge
2002-01-01
En este artículo se presenta la formulación numérica del flujo multifásico no isotermo y del transporte reactivo de un sistema multicomponente de solutos en condiciones no isotermas. El modelo numérico ha sido implementado en un código (FADES-CORE c ?) el cual ha sido verificado y validado. En este artículo se describe el esquema de resolución utilizado y las distintas variantes del mismo. Para la discretización temporal se ha formulado un algoritmo de optimización del paso de tiempo au...
Three-Dimensional Neutral Transport Simulations of Gas Puff Imaging Experiments
International Nuclear Information System (INIS)
Stotler, D.P.; DIppolito, D.A.; LeBlanc, B.; Maqueda, R.J.; Myra, J.R.; Sabbagh, S.A.; Zweben, S.J.
2003-01-01
Gas Puff Imaging (GPI) experiments are designed to isolate the structure of plasma turbulence in the plane perpendicular to the magnetic field. Three-dimensional aspects of this diagnostic technique as used on the National Spherical Torus eXperiment (NSTX) are examined via Monte Carlo neutral transport simulations. The radial width of the simulated GPI images are in rough agreement with observations. However, the simulated emission clouds are angled approximately 15 degrees with respect to the experimental images. The simulations indicate that the finite extent of the gas puff along the viewing direction does not significantly degrade the radial resolution of the diagnostic. These simulations also yield effective neutral density data that can be used in an approximate attempt to infer two-dimensional electron density and temperature profiles from the experimental images
Dynamics Modeling and Simulation of Large Transport Airplanes in Upset Conditions
Foster, John V.; Cunningham, Kevin; Fremaux, Charles M.; Shah, Gautam H.; Stewart, Eric C.; Rivers, Robert A.; Wilborn, James E.; Gato, William
2005-01-01
As part of NASA's Aviation Safety and Security Program, research has been in progress to develop aerodynamic modeling methods for simulations that accurately predict the flight dynamics characteristics of large transport airplanes in upset conditions. The motivation for this research stems from the recognition that simulation is a vital tool for addressing loss-of-control accidents, including applications to pilot training, accident reconstruction, and advanced control system analysis. The ultimate goal of this effort is to contribute to the reduction of the fatal accident rate due to loss-of-control. Research activities have involved accident analyses, wind tunnel testing, and piloted simulation. Results have shown that significant improvements in simulation fidelity for upset conditions, compared to current training simulations, can be achieved using state-of-the-art wind tunnel testing and aerodynamic modeling methods. This paper provides a summary of research completed to date and includes discussion on key technical results, lessons learned, and future research needs.
UEDGE simulations of He transport in DIII-D progress report FY 1996
International Nuclear Information System (INIS)
Fenstermacher, M. E.; Hill, D.N.
1997-01-01
In this report we present the status of numerical simulations of helium exhaust efficiency in the DIII-D tokamak. These computations are intended to serve eventually as a benchmark for simulations carried out for the ITER divertor geometry. Helium ash removal is an important issue for ITER since the helium ash can dilute the central fuel concentration and reduce the fusion power. Present experiments have shown that helium transport in the core plasma is sufficiently rapid to limit the ash buildup to acceptable levels if sufficient helium pumping can be maintained in the divertor. The question of pumping helium gas from the divertor has also been addressed in tokamak experiments, where it was found that the helium concentration in the divertor was about 5-10x lower than in the core plasma (deenrichment). Even so, the exhaust rate was adequate to meet the ITER requirements for central helium concentration. However, the experiments did not reproduce the anticipated ITER divertor geometry or operating conditions. Therefore, the predicted helium exhaust for ITER is still based on numerical simulation. In order to increase the confidence level in the simulations of helium exhaust in ITER, we decided to test the ability of the UEDGE code to simulate the measured enrichment of divertor helium in the DIII-D pumping plenum. Section II presents a description of the experimental discharge used for comparison with the present UEDGE simulations. The UEDGE runs which most closely match the data are presented in Section III including simulations with and without carbon impurity. Section IV presents UEDGE simulations of helium transport and comparison with the helium measurements for these discharges. Conclusions and plans for future work, to complete the detailed benchmarking of UEDGE helium transport models, are given in Section V. 6 refs., 26 figs., 1 tab
Internal transport barrier formation and pellet injection simulation in helical and tokamak reactors
International Nuclear Information System (INIS)
Higashiyama, You; Yamazaki, Kozo; Arimoto, Hideki; Garcia, Jeronimo
2008-01-01
In the future fusion reactor, plasma density peaking is important for increase in the fusion power gain and for achievement of confinement improvement mode. Density control and internal transport barrier (ITB) formation due to pellet injection have been simulated in tokamak and helical reactors using the toroidal transport linkage code TOTAL. First, pellet injection simulation is carried out, including the neutral gas shielding model and the mass relocation model in the TOTAL code, and the effectiveness of high-field side (HFS) pellet injection is clarified. Second, ITB simulation with pellet injection is carried out with the confinement improvement model based on the E x B shear effects, and it is found that deep pellet penetration is helpful for ITB formation as well as plasma core fuelling in the reversed-shear tokamak and helical reactors. (author)
Timetable-based simulation method for choice set generation in large-scale public transport networks
DEFF Research Database (Denmark)
Rasmussen, Thomas Kjær; Anderson, Marie Karen; Nielsen, Otto Anker
2016-01-01
The composition and size of the choice sets are a key for the correct estimation of and prediction by route choice models. While existing literature has posed a great deal of attention towards the generation of path choice sets for private transport problems, the same does not apply to public...... transport problems. This study proposes a timetable-based simulation method for generating path choice sets in a multimodal public transport network. Moreover, this study illustrates the feasibility of its implementation by applying the method to reproduce 5131 real-life trips in the Greater Copenhagen Area...... and to assess the choice set quality in a complex multimodal transport network. Results illustrate the applicability of the algorithm and the relevance of the utility specification chosen for the reproduction of real-life path choices. Moreover, results show that the level of stochasticity used in choice set...
Transportation system modeling and simulation in support of logistics and operations
International Nuclear Information System (INIS)
Yoshimura, R.H.; Kjeldgaard, E.A.; Turnquist, M.A.; List, G.F.
1997-12-01
Effective management of DOE's transportation operations requires better data than are currently available, a more integrated management structure for making transportation decisions, and decision support tools to provide needed analysis capabilities. This paper describes a vision of an advanced logistics management system for DOE, and the rationale for developing improved modeling and simulation capability as an integral part of that system. The authors illustrate useful types of models through four examples, addressing issues of transportation package allocation, fleet sizing, routing/scheduling, and emergency responder location. The overall vision for the advanced logistics management system, and the specific examples of potential capabilities, provide the basis for a conclusion that such a system would meet a critical DOE need in the area of radioactive material and waste transportation
Introducing FACETS, the Framework Application for Core-Edge Transport Simulations
International Nuclear Information System (INIS)
Cary, John R.; Candy, Jeff; Cohen, Ronald H.; Krasheninnikov, Sergei I.; McCune, Douglas C.; Estep, Donald J.; Larson, Jay W.; Malony, Allen; Worley, Patrick H.; Carlsson, Johann Anders; Hakim, A.H.; Hamill, P.; Kruger, Scott E.; Muzsala, S.; Pletzer, Alexander; Shasharina, Svetlana; Wade-Stein, D.; Wang, N.; McInnes, Lois C.; Wildey, T.; Casper, T.A.; Diachin, Lori A.; Epperly, Thomas; Rognlien, T.D.; Fahey, Mark R.; Kuehn, Jeffery A.; Morris, A.; Shende, Sameer; Feibush, E.; Hammett, Gregory W.; Indireshkumar, K.; Ludescher, C.; Randerson, L.; Stotler, D.; Pigarov, A.; Bonoli, P.; Chang, C.S.; D'Ippolito, D.A.; Colella, Philip; Keyes, David E.; Bramley, R.
2007-01-01
The FACETS (Framework Application for Core-Edge Transport Simulations) project began in January 2007 with the goal of providing core to wall transport modeling of a tokamak fusion reactor. This involves coupling previously separate computations for the core, edge, and wall regions. Such a coupling is primarily through connection regions of lower dimensionality. The project has started developing a component-based coupling framework to bring together models for each of these regions. In the first year, the core model will be a 1 dimensional model (1D transport across flux surfaces coupled to a 2D equilibrium) with fixed equilibrium. The initial edge model will be the fluid model, UEDGE, but inclusion of kinetic models is planned for the out years. The project also has an embedded Scientific Application Partnership that is examining embedding a full-scale turbulence model for obtaining the crosssurface fluxes into a core transport code.
Transportation system modeling and simulation in support of logistics and operations
International Nuclear Information System (INIS)
Yoshimura, R.H.; Kjeldgaard, E.A.; Turnquist, M.A.; List, G.F.
1998-01-01
Effective management of DOE's transportation operations requires better data than are currently available, a more integrated management structure for making transportation decisions, and decision support tools to provide needed analysis capabilities. This paper describes a vision of an advanced logistics management system for DOE, and the rationale for developing improved modeling and simulation capability as an integral part of that system. We illustrate useful types of models through four examples, addressing issues of transportation package allocation, fleet sizing, routing/Scheduling, and emergency responder location. The overall vision for the advanced logistics management system, and the specific examples of potential capabilities, provide the basis for a conclusion that such a system would meet a critical DOE need in the area of radioactive material and waste transportation. (authors)
Railway optimal network simulation for the development of regional transport-logistics system
Directory of Open Access Journals (Sweden)
Mikhail Borisovich Petrov
2013-12-01
Full Text Available The dependence of logistics on mineral fuel is a stable tendency of regions development, though when making strategic plans of logistics in the regions, it is necessary to provide the alternative possibilities of power-supply sources change together with population density, transport infrastructure peculiarities, and demographic changes forecast. On the example of timber processing complex of the Sverdlovsk region, the authors suggest the algorithm of decision of the optimal logistics infrastructure allocation. The problem of regional railway network organization at the stage of slow transition from the prolonged stagnation to the new development is carried out. The transport networks’ configurations of countries on the Pacific Rim, which successfully developed nowadays, are analyzed. The authors offer some results of regional transport network simulation on the basis of artificial intelligence method. These methods let to solve the task with incomplete data. The ways of the transport network improvement in the Sverdlovsk region are offered.
Simulation of reactive geochemical transport in groundwater using a semi-analytical screening model
McNab, Walt W.
1997-10-01
A reactive geochemical transport model, based on a semi-analytical solution to the advective-dispersive transport equation in two dimensions, is developed as a screening tool for evaluating the impact of reactive contaminants on aquifer hydrogeochemistry. Because the model utilizes an analytical solution to the transport equation, it is less computationally intensive than models based on numerical transport schemes, is faster, and it is not subject to numerical dispersion effects. Although the assumptions used to construct the model preclude consideration of reactions between the aqueous and solid phases, thermodynamic mineral saturation indices are calculated to provide qualitative insight into such reactions. Test problems involving acid mine drainage and hydrocarbon biodegradation signatures illustrate the utility of the model in simulating essential hydrogeochemical phenomena.
Directory of Open Access Journals (Sweden)
Xiaosheng Lin
2016-03-01
Full Text Available Riparian buffers can influence water quality in downstream lakes or rivers by buffering non-point source pollution in upstream agricultural fields. With increasing nitrogen (N pollution in small agricultural watersheds, a major function of riparian buffers is to retain N in the soil. A series of field experiments were conducted to monitor pollutant transport in riparian buffers of small watersheds, while numerical model-based analysis is scarce. In this study, we set up a field experiment to monitor the retention rates of total N in different widths of buffer strips and used a finite element model (HYDRUS 2D/3D to simulate the total N transport in the riparian buffer of an agricultural non-point source polluted area in the Liaohe River basin. The field experiment retention rates for total N were 19.4%, 26.6%, 29.5%, and 42.9% in 1,3,4, and 6m-wide buffer strips, respectively. Throughout the simulation period, the concentration of total N of the 1mwide buffer strip reached a maximum of 1.27 mg/cm3 at 30 min, decreasing before leveling off. The concentration of total N about the 3mwide buffer strip consistently increased, with a maximum of 1.05 mg/cm3 observed at 60 min. Under rainfall infiltration, the buffer strips of different widths showed a retention effect on total N transport, and the optimum effect was simulated in the 6mwide buffer strip. A comparison between measured and simulated data revealed that finite element simulation could simulate N transport in the soil of riparian buffer strips.
SU-E-T-558: Monte Carlo Photon Transport Simulations On GPU with Quadric Geometry
International Nuclear Information System (INIS)
Chi, Y; Tian, Z; Jiang, S; Jia, X
2015-01-01
Purpose: Monte Carlo simulation on GPU has experienced rapid advancements over the past a few years and tremendous accelerations have been achieved. Yet existing packages were developed only in voxelized geometry. In some applications, e.g. radioactive seed modeling, simulations in more complicated geometry are needed. This abstract reports our initial efforts towards developing a quadric geometry module aiming at expanding the application scope of GPU-based MC simulations. Methods: We defined the simulation geometry consisting of a number of homogeneous bodies, each specified by its material composition and limiting surfaces characterized by quadric functions. A tree data structure was utilized to define geometric relationship between different bodies. We modified our GPU-based photon MC transport package to incorporate this geometry. Specifically, geometry parameters were loaded into GPU’s shared memory for fast access. Geometry functions were rewritten to enable the identification of the body that contains the current particle location via a fast searching algorithm based on the tree data structure. Results: We tested our package in an example problem of HDR-brachytherapy dose calculation for shielded cylinder. The dose under the quadric geometry and that under the voxelized geometry agreed in 94.2% of total voxels within 20% isodose line based on a statistical t-test (95% confidence level), where the reference dose was defined to be the one at 0.5cm away from the cylinder surface. It took 243sec to transport 100million source photons under this quadric geometry on an NVidia Titan GPU card. Compared with simulation time of 99.6sec in the voxelized geometry, including quadric geometry reduced efficiency due to the complicated geometry-related computations. Conclusion: Our GPU-based MC package has been extended to support photon transport simulation in quadric geometry. Satisfactory accuracy was observed with a reduced efficiency. Developments for charged
SU-E-T-558: Monte Carlo Photon Transport Simulations On GPU with Quadric Geometry
Energy Technology Data Exchange (ETDEWEB)
Chi, Y; Tian, Z; Jiang, S; Jia, X [The University of Texas Southwestern Medical Ctr, Dallas, TX (United States)
2015-06-15
Purpose: Monte Carlo simulation on GPU has experienced rapid advancements over the past a few years and tremendous accelerations have been achieved. Yet existing packages were developed only in voxelized geometry. In some applications, e.g. radioactive seed modeling, simulations in more complicated geometry are needed. This abstract reports our initial efforts towards developing a quadric geometry module aiming at expanding the application scope of GPU-based MC simulations. Methods: We defined the simulation geometry consisting of a number of homogeneous bodies, each specified by its material composition and limiting surfaces characterized by quadric functions. A tree data structure was utilized to define geometric relationship between different bodies. We modified our GPU-based photon MC transport package to incorporate this geometry. Specifically, geometry parameters were loaded into GPU’s shared memory for fast access. Geometry functions were rewritten to enable the identification of the body that contains the current particle location via a fast searching algorithm based on the tree data structure. Results: We tested our package in an example problem of HDR-brachytherapy dose calculation for shielded cylinder. The dose under the quadric geometry and that under the voxelized geometry agreed in 94.2% of total voxels within 20% isodose line based on a statistical t-test (95% confidence level), where the reference dose was defined to be the one at 0.5cm away from the cylinder surface. It took 243sec to transport 100million source photons under this quadric geometry on an NVidia Titan GPU card. Compared with simulation time of 99.6sec in the voxelized geometry, including quadric geometry reduced efficiency due to the complicated geometry-related computations. Conclusion: Our GPU-based MC package has been extended to support photon transport simulation in quadric geometry. Satisfactory accuracy was observed with a reduced efficiency. Developments for charged
Simulation of business processes of processing and distribution of orders in transportation
Directory of Open Access Journals (Sweden)
Ольга Ігорівна Проніна
2017-06-01
Full Text Available Analyzing modern passenger transportation in Ukraine, we can conclude that with the increasing number of urban population the necessity to develop passenger traffic, as well as to improve the quality of transport services is increasing too. The paper examines the three existing models of private passenger transportation (taxi: a model with the use of dispatching service, without dispatching service model and a mixed model. An algorithm of getting an order, processing it, and its implementation according to the given model has been considered. Several arrangements schemes that characterize the operation of the system have been shown in the work as well. The interrelation of the client making an order and the driver who receives the order and executes it has been represented, the server being a connecting link between the customer and the driver and regulating the system as a whole. Business process of private passenger transportation without dispatching service was simulated. Basing on the simulation results it was proposed to supplement the model of private transportation by the making advice system, as well as improving the car selection algorithm. Advice system provides the optimum choice of the car, taking into account a lot of factors. And it will also make it possible to use more efficiently the specific additional services provided by the drivers. Due to the optimization of the order handling process it becomes possible to increase the capacity of the drivers thus increasing their profits. Passenger transportation without the use of dispatching service has some weak points and they were identified. Application of the system will improve transport structure in modern conditions, and improve the transportation basing on modern operating system
Energy Technology Data Exchange (ETDEWEB)
Ploeger, Felix
2011-07-06
The chemical and dynamical processes in the tropical tropopause layer (TTL) control the amount of radiatively active species like water vapour and ozone in the stratosphere, and hence turn out to be crucial for atmospheric trends and climate change. Chemistry transport models and chemistry climate models are suitable tools to understand these processes. But model results are subject to uncertainties arising from the parametrization of model physics. In this thesis the sensitivity of model predictions to the choice of the vertical transport representation will be analysed. Therefore, backtrajectories are calculated in the TTL, based on different diabatic and kinematic transport representations using ERA-Interim and operational ECMWF data. For diabatic transport on potential temperature levels, the vertical velocity is deduced from the ERA-Interim diabatic heat budget. For kinematic transport on pressure levels, the vertical wind is used as vertical velocity. It is found that all terms in the diabatic heat budget are necessary to cause transport from the troposphere to the stratosphere. In particular, clear-sky heating rates alone miss very important processes. Many characteristics of transport in the TTL turn out to depend very sensitively on the choice of the vertical transport representation. Timescales for tropical troposphere-to-stratosphere transport vary between one and three months, with respect to the chosen representation. Moreover, for diabatic transport ascent is found throughout the upper TTL, whereas for kinematic transport regions of mean subsidence occur, particularly above the maritime continent. To investigate the sensitivity of simulated trace gas distributions in the TTL to the transport representation, a conceptual approach is presented to predict water vapour and ozone concentrations from backtrajectories, based on instantaneous freeze-drying and photochemical ozone production. It turns out that ozone predictions and vertical dispersion of the
COMSOL-PHREEQC: a tool for high performance numerical simulation of reactive transport phenomena
International Nuclear Information System (INIS)
Nardi, Albert; Vries, Luis Manuel de; Trinchero, Paolo; Idiart, Andres; Molinero, Jorge
2012-01-01
Document available in extended abstract form only. Comsol Multiphysics (COMSOL, from now on) is a powerful Finite Element software environment for the modelling and simulation of a large number of physics-based systems. The user can apply variables, expressions or numbers directly to solid and fluid domains, boundaries, edges and points, independently of the computational mesh. COMSOL then internally compiles a set of equations representing the entire model. The availability of extremely powerful pre and post processors makes COMSOL a numerical platform well known and extensively used in many branches of sciences and engineering. On the other hand, PHREEQC is a freely available computer program for simulating chemical reactions and transport processes in aqueous systems. It is perhaps the most widely used geochemical code in the scientific community and is openly distributed. The program is based on equilibrium chemistry of aqueous solutions interacting with minerals, gases, solid solutions, exchangers, and sorption surfaces, but also includes the capability to model kinetic reactions with rate equations that are user-specified in a very flexible way by means of Basic statements directly written in the input file. Here we present COMSOL-PHREEQC, a software interface able to communicate and couple these two powerful simulators by means of a Java interface. The methodology is based on Sequential Non Iterative Approach (SNIA), where PHREEQC is compiled as a dynamic subroutine (iPhreeqc) that is called by the interface to solve the geochemical system at every element of the finite element mesh of COMSOL. The numerical tool has been extensively verified by comparison with computed results of 1D, 2D and 3D benchmark examples solved with other reactive transport simulators. COMSOL-PHREEQC is parallelized so that CPU time can be highly optimized in multi-core processors or clusters. Then, fully 3D detailed reactive transport problems can be readily simulated by means of
Stovern, Michael; Felix, Omar; Csavina, Janae; Rine, Kyle P.; Russell, MacKenzie R.; Jones, Robert M.; King, Matt; Betterton, Eric A.; Sáez, A. Eduardo
2014-01-01
Mining operations are potential sources of airborne particulate metal and metalloid contaminants through both direct smelter emissions and wind erosion of mine tailings. The warmer, drier conditions predicted for the Southwestern US by climate models may make contaminated atmospheric dust and aerosols increasingly important, due to potential deleterious effects on human health and ecology. Dust emissions and dispersion of dust and aerosol from the Iron King Mine tailings in Dewey-Humboldt, Arizona, a Superfund site, are currently being investigated through in situ field measurements and computational fluid dynamics modeling. These tailings are heavily contaminated with lead and arsenic. Using a computational fluid dynamics model, we model dust transport from the mine tailings to the surrounding region. The model includes gaseous plume dispersion to simulate the transport of the fine aerosols, while individual particle transport is used to track the trajectories of larger particles and to monitor their deposition locations. In order to improve the accuracy of the dust transport simulations, both regional topographical features and local weather patterns have been incorporated into the model simulations. Results show that local topography and wind velocity profiles are the major factors that control deposition. PMID:25621085
Stovern, Michael; Felix, Omar; Csavina, Janae; Rine, Kyle P; Russell, MacKenzie R; Jones, Robert M; King, Matt; Betterton, Eric A; Sáez, A Eduardo
2014-09-01
Mining operations are potential sources of airborne particulate metal and metalloid contaminants through both direct smelter emissions and wind erosion of mine tailings. The warmer, drier conditions predicted for the Southwestern US by climate models may make contaminated atmospheric dust and aerosols increasingly important, due to potential deleterious effects on human health and ecology. Dust emissions and dispersion of dust and aerosol from the Iron King Mine tailings in Dewey-Humboldt, Arizona, a Superfund site, are currently being investigated through in situ field measurements and computational fluid dynamics modeling. These tailings are heavily contaminated with lead and arsenic. Using a computational fluid dynamics model, we model dust transport from the mine tailings to the surrounding region. The model includes gaseous plume dispersion to simulate the transport of the fine aerosols, while individual particle transport is used to track the trajectories of larger particles and to monitor their deposition locations. In order to improve the accuracy of the dust transport simulations, both regional topographical features and local weather patterns have been incorporated into the model simulations. Results show that local topography and wind velocity profiles are the major factors that control deposition.
Finite element simulation of moisture movement and solute transport in a large caisson
International Nuclear Information System (INIS)
Huyakorn, P.S.; Jones, B.G.; Parker, J.C.; Wadsworth, T.D.; White, H.O. Jr.
1987-01-01
The results of the solute transport experiments performed on compacted, crushed Bandelier Tuff in caisson B of the experimental cluster described by DePoorter (1981) are simulated. Both one- and three-dimensional simulations of solute transport have been performed using two selected finite element codes. Results of bromide and iodide tracer experiments conducted during near-steady flow conditions have been analyzed for pulse additions made on December 6, 1984, and followed over a period of up to 60 days. In addition, a pulse addition of nonconservative strontium tracer on September 28, 1984, during questionably steady flow conditions has been analyzed over a period of 240 days. One-dimensional finite element flow and transport simulations were carried out assuming the porous medium to be homogeneous and the injection source uniformly distributed. To evaluate effects of the nonuniform source distribution and also to investigate effects of inhomogeneous porous medium properties, three dimensional finite element analyses of transport were carried out. Implications of the three-dimensional effects for the design and analysis of future tracer studies are discussed
Zhang, Kai; Wang, Feng-hui; Lu, Yong-jun
2018-01-01
It is necessary to understand and predict the behavior of continuous nanoflow, especially inside the nanochannel with uneven wettability. Because the properties of fluid confined in the nanochannel are different from the macroscopic fluid, molecular level understanding is critical for future applications. In this work, a series of molecular dynamics simulations were executed to investigate the effect of the wettability gradient on the continuous nanofluid. In the simulations, different osmotic pressures were applied to make the water transport through different nanochannels. Simulation data was analyzed to obtain water flow rate, shear viscosity, capillary force, density distributions along the height directions of channel and apparent friction factor. Results show that the uneven wettability has a significant effect on the transportation of confined water only under the proper applied osmotic pressure and the height of channel. Under the appropriate conditions, the uneven wettability has a promotion on the transportation of water when it is at the exit of channel. When the uneven wettability locates in the entrance and middle of the channel, the uneven wettability will hinder the transportation of water. Especially, it is worth mentioning that there is a special phenomenon when the height of the nanochannel becomes 0.8 nm. Depending on the applied osmotic pressure, the uneven wettability has a double-sided effect on the confined fluid inside the channel with H = 0.8 nm. Our work may contribute to the design of nanochannels.
International Nuclear Information System (INIS)
Carleson, T.E.; Drown, D.C.; Hart, R.E.; Peterson, M.E.
1987-09-01
The Department of Chemical Engineering at the University of Idaho conducted research on the transport and resuspension of a simulated high-level nuclear waste slurry. In the United States, the reference process for treating both defense and civilian HLLW is vitrification using the liquid-fed ceramic melter process. The non-Newtonian behavior of the slurry complicates the evaluation of the transport and resuspension characteristics of the slurry. The resuspension of a simulated (nonradioactive) melter feed slurry was evaluated using a slurry designated as WV-205. The simulated slurry was developed for the West Valley Demonstration Project and was used during a pilot-scale ceramic melter (PSCM) experiment conducted at PNL in July 1985 (PSCM-21). This study involved determining the transport characteristics of a fully suspended slurry and the resuspension characteristics of settled solids in a pilot-scale pipe loop. The goal was to predict the transport and resuspension of a full-scale system based on rheological data for a specific slurry. The rheological behavior of the slurry was evaluated using a concentric cylinder rotational viscometer, a capillary tube viscometer, and the pilot-scale pipe loop. The results obtained from the three approaches were compared. 40 refs., 74 figs., 15 tabs
International Nuclear Information System (INIS)
Kanaroglou, P.; Maoh, H.; Woudsma, C.; Marshall, S.
2008-01-01
Extreme weather events resulting from climate change will have a significant impact of the performance of the Canadian transportation system. This presentation described a simulation tool designed to investigate the potential ramifications of future climate change on transportation and the economy. The CLIMATE-C tool was designed to simulate future weather scenarios for the years 2020 and 2050 using weather parameters obtained from a global general circulation model. The model accounted for linkages between weather, transportation, and economic systems. A random utility-based multi-regional input-output model was used to predict inter-regional trade flows by truck and rail in Canada. Simulated weather scenarios were used to describe predicted changes in demographic, social, economic, technological and environmental developments to 2100. Various changes in population and economic growth were considered. Six additional scenarios were formulated to consider moderate and high rainfall events, moderate, high and extreme snowfall, and cold temperatures. Results of the preliminary analysis indicated that the model is sensitive to changes in weather events. Future research is needed to evaluate future weather scenarios and analyze weather-transport data in order to quantify travel speed reduction parameters. tabs., figs.
Energy Technology Data Exchange (ETDEWEB)
Park, G.; Jeon, Y.; Kim, J., E-mail: gypark@nfri.re.kr [NFRI, Daejeon (Korea, Republic of); Chang, C. [Princeton Plasma Physics Laboratory, Princeton (United States)
2012-09-15
Full text: Control of the edge localized modes (ELMs) is one of the most critical issues for a more successful operation of ITER and the future tokamak fusion reactors. This paper reports ITER relevant simulation results from the XGC0 drift-kinetic code, with respect to the collisionality, plasma density, and rotation dependence of the RMP penetration and the RMP-driven transport in diverted DIII-D geometry with neutral recycling. The simulation results are consistent with the experimental results, and contribute to the physics understanding needed for more confident extrapolation of the present RMP experiments to ITER. It is found that plasma-responded stochasticity becomes weaker as the collisionality gets higher and RMP-driven transport (i.e., density pump-out) is much weaker in the high collisionality case compared with that in the low collisionality one, which is consistent with the recent experimental results on DIII-D and ASDEX-U tokamaks. As for rotation effect, low rotation is found not to affect the stochasticity much in the edge region, while high rotation significantly suppresses the RMPs in the core. The clear difference in RMP behavior between the low and high collisionality regimes can be understood by examining the perturbed current Fourier amplitude profiles within the range of resonant poloidal mode numbers (m = 8 - 15, n = 3). It can be seen that primary shielding currents are strongly concentrated around the steep pedestal region just inside the separatrix, which naturally produces very strong suppression of RMPs there, in low collisionality case. However, in high collisionality case, primary shielding currents are very weak and accumulating toward inner radii leading to the shielding of RMPs further into the plasma. Our kinetic simulation method is also applied to the modeling of RMP ELM control experiments on KSTAR tokamak and the results will be presented together. (author)
Parkhurst, David L.; Kipp, Kenneth L.; Engesgaard, Peter; Charlton, Scott R.
2004-01-01
The computer program PHAST simulates multi-component, reactive solute transport in three-dimensional saturated ground-water flow systems. PHAST is a versatile ground-water flow and solute-transport simulator with capabilities to model a wide range of equilibrium and kinetic geochemical reactions. The flow and transport calculations are based on a modified version of HST3D that is restricted to constant fluid density and constant temperature. The geochemical reactions are simulated with the geochemical model PHREEQC, which is embedded in PHAST. PHAST is applicable to the study of natural and contaminated ground-water systems at a variety of scales ranging from laboratory experiments to local and regional field scales. PHAST can be used in studies of migration of nutrients, inorganic and organic contaminants, and radionuclides; in projects such as aquifer storage and recovery or engineered remediation; and in investigations of the natural rock-water interactions in aquifers. PHAST is not appropriate for unsaturated-zone flow, multiphase flow, density-dependent flow, or waters with high ionic strengths. A variety of boundary conditions are available in PHAST to simulate flow and transport, including specified-head, flux, and leaky conditions, as well as the special cases of rivers and wells. Chemical reactions in PHAST include (1) homogeneous equilibria using an ion-association thermodynamic model; (2) heterogeneous equilibria between the aqueous solution and minerals, gases, surface complexation sites, ion exchange sites, and solid solutions; and (3) kinetic reactions with rates that are a function of solution composition. The aqueous model (elements, chemical reactions, and equilibrium constants), minerals, gases, exchangers, surfaces, and rate expressions may be defined or modified by the user. A number of options are available to save results of simulations to output files. The data may be saved in three formats: a format suitable for viewing with a text editor; a
Convective transport in ATM simulations and its relation to the atmospheric stability conditions
Kusmierczyk-Michulec, Jolanta
2017-04-01
The International Monitoring System (IMS) developed by the Comprehensive Nuclear-Test-Ban Treaty Organization (CTBTO) is a global system of monitoring stations, using four complementary technologies: seismic, hydroacoustic, infrasound and radionuclide. Data from all stations, belonging to IMS, are collected and transmitted to the International Data Centre (IDC) in Vienna, Austria. The radionuclide network comprises 80 stations, of which more than 60 are certified. The aim of radionuclide stations is a global monitoring of radioactive aerosols and radioactive noble gases, in particular xenon isotopes, supported by the atmospheric transport modeling (ATM). One of the important noble gases, monitored on a daily basis, is radioxenon. It can be produced either during a nuclear explosion with a high fission yield, and thus be considered as an important tracer to prove the nuclear character of an explosion, or be emitted from nuclear power plants (NPPs) or from isotope production facilities (IPFs). To investigate the transport of xenon emissions, the Provisional Technical Secretariat (PTS) operates an Atmospheric Transport Modelling (ATM) system based on the Lagrangian Particle Dispersion Model FLEXPART. To address the question whether including the convective transport in ATM simulations will change the results significantly, the differences between the outputs with the convective transport turned off and turned on, were computed and further investigated taking into account the atmospheric stability conditions. For that purpose series of 14 days forward simulations, with convective transport and without it, released daily in the period January 2011 to February 2012, were analysed. The release point was at the ANSTO facility in Australia. The unique opportunity of having access to both daily emission values for ANSTO as well as measured Xe-133 activity concentration (AC) values at the IMS stations, gave a chance to validate the simulations.
Energy Technology Data Exchange (ETDEWEB)
Phelan, J.M.; Webb, S.W.
1997-06-01
The fate and transport of chemical signature molecules that emanate from buried landmines is strongly influenced by physical chemical properties and by environmental conditions of the specific chemical compounds. Published data have been evaluated as the input parameters that are used in the simulation of the fate and transport processes. A one-dimensional model developed for screening agricultural pesticides was modified and used to simulate the appearance of a surface flux above a buried landmine, estimate the subsurface total concentration, and show the phase specific concentrations at the ground surface. The physical chemical properties of TNT cause a majority of the mass released to the soil system to be bound to the solid phase soil particles. The majority of the transport occurs in the liquid phase with diffusion and evaporation driven advection of soil water as the primary mechanisms for the flux to the ground surface. The simulations provided herein should only be used for initial conceptual designs of chemical pre-concentration subsystems or complete detection systems. The physical processes modeled required necessary simplifying assumptions to allow for analytical solutions. Emerging numerical simulation tools will soon be available that should provide more realistic estimates that can be used to predict the success of landmine chemical detection surveys based on knowledge of the chemical and soil properties, and environmental conditions where the mines are buried. Additional measurements of the chemical properties in soils are also needed before a fully predictive approach can be confidently applied.
Benchmark test of drift-kinetic and gyrokinetic codes through neoclassical transport simulations
International Nuclear Information System (INIS)
Satake, S.; Sugama, H.; Watanabe, T.-H.; Idomura, Yasuhiro
2009-09-01
Two simulation codes that solve the drift-kinetic or gyrokinetic equation in toroidal plasmas are benchmarked by comparing the simulation results of neoclassical transport. The two codes are the drift-kinetic δf Monte Carlo code (FORTEC-3D) and the gyrokinetic full- f Vlasov code (GT5D), both of which solve radially-global, five-dimensional kinetic equation with including the linear Fokker-Planck collision operator. In a tokamak configuration, neoclassical radial heat flux and the force balance relation, which relates the parallel mean flow with radial electric field and temperature gradient, are compared between these two codes, and their results are also compared with the local neoclassical transport theory. It is found that the simulation results of the two codes coincide very well in a wide rage of plasma collisionality parameter ν * = 0.01 - 10 and also agree with the theoretical estimations. The time evolution of radial electric field and particle flux, and the radial profile of the geodesic acoustic mode frequency also coincide very well. These facts guarantee the capability of GT5D to simulate plasma turbulence transport with including proper neoclassical effects of collisional diffusion and equilibrium radial electric field. (author)
Srna - Monte Carlo codes for proton transport simulation in combined and voxelized geometries
Directory of Open Access Journals (Sweden)
Ilić Radovan D.
2002-01-01
Full Text Available This paper describes new Monte Carlo codes for proton transport simulations in complex geometrical forms and in materials of different composition. The SRNA codes were developed for three dimensional (3D dose distribution calculation in proton therapy and dosimetry. The model of these codes is based on the theory of proton multiple scattering and a simple model of compound nucleus decay. The developed package consists of two codes: SRNA-2KG and SRNA-VOX. The first code simulates proton transport in combined geometry that can be described by planes and second order surfaces. The second one uses the voxelized geometry of material zones and is specifically adopted for the application of patient computer tomography data. Transition probabilities for both codes are given by the SRNADAT program. In this paper, we will present the models and algorithms of our programs, as well as the results of the numerical experiments we have carried out applying them, along with the results of proton transport simulation obtained through the PETRA and GEANT programs. The simulation of the proton beam characterization by means of the Multi-Layer Faraday Cup and spatial distribution of positron emitters obtained by our program indicate the imminent application of Monte Carlo techniques in clinical practice.
International Nuclear Information System (INIS)
Lin, Z; Rewoldt, G; Ethier, S; Hahm, T S; Lee, W W; Lewandowski, J L V; Nishimura, Y; Wang, W X
2005-01-01
Recent progress in gyrokinetic particle-in-cell simulations of turbulent plasmas using the gyrokinetic toroidal code (GTC) is surveyed. In particular, recent results for electron temperature gradient (ETG) modes and their resulting transport are presented. Also, turbulence spreading, and the effects of the parallel nonlinearity, are described. The GTC code has also been generalized for non-circular plasma cross-section, and initial results are presented. In addition, two distinct methods of generalizing the GTC code to be electromagnetic are described, along with preliminary results. Finally, a related code, GTC-Neo, for calculating neoclassical fluxes, electric fields, and velocities, are described
Particle transport simulation for spaceborne, NaI gamma-ray spectrometers
International Nuclear Information System (INIS)
Dyer, C.S.; Truscott, P.R.; Sims, A.J.; Comber, C.; Hammond, N.D.A.
1988-11-01
Radioactivity induced in detectors by protons and secondary neutrons limits the sensitivity of spaceborne gamma-ray spectrometers. Three dimensional Monte Carlo transport codes have been employed to simulate particle transport of cosmic rays and inner-belt protons in various representations of the Gamma Ray Observatory Spacecraft and the Oriented Scintillation Spectrometer Experiment. Results are used to accurately quantify the contributions to the radioactive background, assess shielding options and examine the effect of detector and space-craft orientation in anisotropic trapped proton fluxes. (author)
Final Report for the "Fusion Application for Core-Edge Transport Simulations (FACETS)"
Energy Technology Data Exchange (ETDEWEB)
Cary, John R; Kruger, Scott
2014-10-02
The FACETS project over its lifetime developed the first self-consistent core-edge coupled capabilities, a new transport solver for modeling core transport in tokamak cores, developed a new code for modeling wall physics over long time scales, and significantly improved the capabilities and performance of legacy components, UEDGE, NUBEAM, GLF23, GYRO, and BOUT++. These improved capabilities leveraged the team’s expertise in applied mathematics (solvers and algorithms) and computer science (performance improvements and language interoperability). The project pioneered new methods for tackling the complexity of simulating the concomitant complexity of tokamak experiments.
Metropol: A computer code for the simulation of transport of contaminants with groundwater
International Nuclear Information System (INIS)
Sauter, F.J.; Hassanizadeh, S.M.; Leijnse, A.; Glasbergen, P.; Slot, A.F.M.
1990-01-01
In this report a description is given of the computer code Metropol. This code simulates the three-dimensional flow of groundwater with varying density and the simultaneous transport of contaminants in low concentration and is based on the finite element method. The basic equations for groundwater flow and transport are described as well as the mathematical techniques used to solve these equations. Pre-processing facilities for mesh generation and post-processing facilities such as particle tracking are also discussed. This work was part of the Community Mirage project Second phase, research area Calculation tools
Guide to the Revised Ground-Water Flow and Heat Transport Simulator: HYDROTHERM - Version 3
Kipp, Kenneth L.; Hsieh, Paul A.; Charlton, Scott R.
2008-01-01
The HYDROTHERM computer program simulates multi-phase ground-water flow and associated thermal energy transport in three dimensions. It can handle high fluid pressures, up to 1 ? 109 pascals (104 atmospheres), and high temperatures, up to 1,200 degrees Celsius. This report documents the release of Version 3, which includes various additions, modifications, and corrections that have been made to the original simulator. Primary changes to the simulator include: (1) the ability to simulate unconfined ground-water flow, (2) a precipitation-recharge boundary condition, (3) a seepage-surface boundary condition at the land surface, (4) the removal of the limitation that a specified-pressure boundary also have a specified temperature, (5) a new iterative solver for the linear equations based on a generalized minimum-residual method, (6) the ability to use time- or depth-dependent functions for permeability, (7) the conversion of the program code to Fortran 90 to employ dynamic allocation of arrays, and (8) the incorporation of a graphical user interface (GUI) for input and output. The graphical user interface has been developed for defining a simulation, running the HYDROTHERM simulator interactively, and displaying the results. The combination of the graphical user interface and the HYDROTHERM simulator forms the HYDROTHERM INTERACTIVE (HTI) program. HTI can be used for two-dimensional simulations only. New features in Version 3 of the HYDROTHERM simulator have been verified using four test problems. Three problems come from the published literature and one problem was simulated by another partially saturated flow and thermal transport simulator. The test problems include: transient partially saturated vertical infiltration, transient one-dimensional horizontal infiltration, two-dimensional steady-state drainage with a seepage surface, and two-dimensional drainage with coupled heat transport. An example application to a hypothetical stratovolcano system with unconfined
NMTC/JAM, Simulates High Energy Nuclear Reactions and Nuclear-Meson Transport Processes
International Nuclear Information System (INIS)
Furihata, Shiori
2002-01-01
1 - Description of program or function: NMTC/JAM is an upgraded version of the code system NMTC/JAERI97. NMTC/JAERI97 simulates high energy nuclear reactions and nucleon-meson transport processes. It implements an intra-nuclear cascade model taking account of the in-medium nuclear effects and the pre-equilibrium calculation model based on the exciton one. For treating the nucleon transport process, the nucleon-nucleus cross sections are revised to those derived by the systematics of Pearlstein. Moreover, the level density parameter derived by Ignatyuk is included as a new option for particle evaporation calculation. A geometry package based on the Combinatorial Geometry with multi-array system and the importance sampling technique is implemented in the code. Tally function is also employed for obtaining such physical quantities as neutron energy spectra, heat deposition and nuclide yield without editing a history file. The code can simulate both the primary spallation reaction and the secondary particle transport in the intermediate energy region from 20 MeV to 3.5 GeV by the use of the Monte Carlo technique. The code has been employed in combination with the neutron-photon transport codes available to the energy region below 20 MeV for neutronics calculation of accelerator-based subcritical reactors, analyses of thick target spallation experimented and so on. 2 - Methods: High energy nuclear reactions induced by incident high energy protons, neutrons and pions are simulated with the Monte Carlo Method by the intra-nuclear nucleon-nucleon reaction probabilities based on an intra-nuclear nucleon cascade model followed by the particle evaporation including high energy fission process. Jet-Aa Microscopic transport model (JAM) is employed to simulate high energy nuclear reactions in the energy range of GeV. All reaction channels are taken into account in the JAM calculation. An intra-nuclear cascade model (ISOBAR code) taking account of the in-medium nuclear effects
Thermodynamic and transport properties of nitrogen fluid: Molecular theory and computer simulations
Eskandari Nasrabad, A.; Laghaei, R.
2018-04-01
Computer simulations and various theories are applied to compute the thermodynamic and transport properties of nitrogen fluid. To model the nitrogen interaction, an existing potential in the literature is modified to obtain a close agreement between the simulation results and experimental data for the orthobaric densities. We use the Generic van der Waals theory to calculate the mean free volume and apply the results within the modified Cohen-Turnbull relation to obtain the self-diffusion coefficient. Compared to experimental data, excellent results are obtained via computer simulations for the orthobaric densities, the vapor pressure, the equation of state, and the shear viscosity. We analyze the results of the theory and computer simulations for the various thermophysical properties.
Simulation of tracer transport for the site characterization and validation site in the Stripa Mine
International Nuclear Information System (INIS)
Long, J.C.S.; Karasaki, K.
1992-01-01
This report describes a series of numerical simulations of tracer tests that were performed in a fracture zone (the H-zone) at the Stripa Mine in Sweden. The tracer simulations are bases on Equivalent Discontinuum models which were developed bases on geophysical measurements and hydraulic interference data (Long et al., 1992). The transport simulations are calibrated to one set of saline tracer breakthrough curves (from the first radar/saline experiment, RSI) and these calibrated models are used to predict another series of breakthrough curves. Predicted breakthrough curves can be compared to the actual data and simulated ''snapshots'' of concentration in the plan of the fracture zone can be compared to radar difference tomograms made during the saline tracer experiments
Sensitivity analysis of the titan hybrid deterministic transport code for SPECT simulation
International Nuclear Information System (INIS)
Royston, Katherine K.; Haghighat, Alireza
2011-01-01
Single photon emission computed tomography (SPECT) has been traditionally simulated using Monte Carlo methods. The TITAN code is a hybrid deterministic transport code that has recently been applied to the simulation of a SPECT myocardial perfusion study. For modeling SPECT, the TITAN code uses a discrete ordinates method in the phantom region and a combined simplified ray-tracing algorithm with a fictitious angular quadrature technique to simulate the collimator and generate projection images. In this paper, we compare the results of an experiment with a physical phantom with predictions from the MCNP5 and TITAN codes. While the results of the two codes are in good agreement, they differ from the experimental data by ∼ 21%. In order to understand these large differences, we conduct a sensitivity study by examining the effect of different parameters including heart size, collimator position, collimator simulation parameter, and number of energy groups. (author)
Energy Technology Data Exchange (ETDEWEB)
Fahey, Mark R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Candy, Jeff [General Atomics, San Diego, CA (United States)
2013-11-07
This project initiated the development of TGYRO - a steady-state Gyrokinetic transport code (SSGKT) that integrates micro-scale GYRO turbulence simulations into a framework for practical multi-scale simulation of conventional tokamaks as well as future reactors. Using a lightweight master transport code, multiple independent (each massively parallel) gyrokinetic simulations are coordinated. The capability to evolve profiles using the TGLF model was also added to TGYRO and represents a more typical use-case for TGYRO. The goal of the project was to develop a steady-state Gyrokinetic transport code (SSGKT) that integrates micro-scale gyrokinetic turbulence simulations into a framework for practical multi-scale simulation of a burning plasma core ? the International Thermonuclear Experimental Reactor (ITER) in particular. This multi-scale simulation capability will be used to predict the performance (the fusion energy gain, Q) given the H-mode pedestal temperature and density. At present, projections of this type rely on transport models like GLF23, which are based on rather approximate fits to the results of linear and nonlinear simulations. Our goal is to make these performance projections with precise nonlinear gyrokinetic simulations. The method of approach is to use a lightweight master transport code to coordinate multiple independent (each massively parallel) gyrokinetic simulations using the GYRO code. This project targets the practical multi-scale simulation of a reactor core plasma in order to predict the core temperature and density profiles given the H-mode pedestal temperature and density. A master transport code will provide feedback to O(16) independent gyrokinetic simulations (each massively parallel). A successful feedback scheme offers a novel approach to predictive modeling of an important national and international problem. Success in this area of fusion simulations will allow US scientists to direct the research path of ITER over the next two
International Nuclear Information System (INIS)
Onishi, Y.; Arnold, E.M.; Serne, R.J.; Cowan, C.E.; Thompson, F.L.; Mayer, D.W.
1979-01-01
Various pathways exist for exposure of humans and biota to radioactive materials released from nuclear facilities. Hydrologic transport (liquid pathway) is one element in the evaluation of the total radiation dose to man. Mathematical models supported by well-planned field data collection programs can be useful tools in assessing the hydrologic transport and ultimate fate of radionuclides. Radionuclides with high distribution coefficients or radionuclides in surface waters with high suspended sediment concentrations are, to a great extent, adsorbed by river and marine sediments. Thus, otherwise dilute contaminants are concentrated. Contaminated sediments may be deposited on the river and ocean beds creating a significant pathway to man. Contaminated bed sediment in turn may become a long-term source of pollution through desorption and resuspension. In order to assess migration and accumulation of radionuclides in surface waters, mathematical models must correctly simulate essential mechanisms of radionuclide transport. The objectives of this study were: (1) to conduct a critical review of (a) radionuclide transport models as well as sediment transport and representative water quality models in rivers, estuaries, oceans, lakes, and reservoirs, and (b) adsorption and desorption mechanisms of radionuclides with sediments in surface waters; (2) to synthesize a mathematical model capable of predicting short- and long-term transport and accumulation of radionuclides in marine environments
Monte Carlo simulation of radioactive contaminant transport in unsaturated porous media
International Nuclear Information System (INIS)
Giacobbo, F.; Patelli, E.; Zio, E.
2005-01-01
In the current proposed solutions of radioactive waste repositories, the protective function against the radionuclide water-driven transport back to the biosphere is to be provided by an integrated system of artificial and natural geologic barriers. The complexity of the transport process in the barriers' heterogeneous media forces approximations to the classical analytical-numerical models, thus reducing their adherence to reality. In an attempt to overcome these difficulties, in the present paper we adopt a Monte Carlo simulation approach, previously developed on the basis of the Kolmogorov and Dmitriev theory of branching stochastic processes. The approach is here extended for describing transport through unsaturated porous media under unsteady flow conditions. This generalization entails the determination of the functional dependence of the parameters of the proposed transport model from the water content, which changes in space and time during the water infiltration process. The approach is verified with respect to a case of non-reactive transport under transient unsaturated field conditions by a comparison with a standard code based on the classical advection-dispersion equations. An application regarding linear reactive transport is then presented. (authors)
Oxygen transport properties estimation by classical trajectory–direct simulation Monte Carlo
Energy Technology Data Exchange (ETDEWEB)
Bruno, Domenico, E-mail: domenico.bruno@cnr.it [Istituto di Metodologie Inorganiche e dei Plasmi, Consiglio Nazionale delle Ricerche– Via G. Amendola 122, 70125 Bari (Italy); Frezzotti, Aldo, E-mail: aldo.frezzotti@polimi.it; Ghiroldi, Gian Pietro, E-mail: gpghiro@gmail.com [Dipartimento di Scienze e Tecnologie Aerospaziali, Politecnico di Milano–Via La Masa 34, 20156 Milano (Italy)
2015-05-15
Coupling direct simulation Monte Carlo (DSMC) simulations with classical trajectory calculations is a powerful tool to improve predictive capabilities of computational dilute gas dynamics. The considerable increase in computational effort outlined in early applications of the method can be compensated by running simulations on massively parallel computers. In particular, Graphics Processing Unit acceleration has been found quite effective in reducing computing time of classical trajectory (CT)-DSMC simulations. The aim of the present work is to study dilute molecular oxygen flows by modeling binary collisions, in the rigid rotor approximation, through an accurate Potential Energy Surface (PES), obtained by molecular beams scattering. The PES accuracy is assessed by calculating molecular oxygen transport properties by different equilibrium and non-equilibrium CT-DSMC based simulations that provide close values of the transport properties. Comparisons with available experimental data are presented and discussed in the temperature range 300–900 K, where vibrational degrees of freedom are expected to play a limited (but not always negligible) role.
Penelope-2006: a code system for Monte Carlo simulation of electron and photon transport
International Nuclear Information System (INIS)
2006-01-01
The computer code system PENELOPE (version 2006) performs Monte Carlo simulation of coupled electron-photon transport in arbitrary materials for a wide energy range, from a few hundred eV to about 1 GeV. Photon transport is simulated by means of the standard, detailed simulation scheme. Electron and positron histories are generated on the basis of a mixed procedure, which combines detailed simulation of hard events with condensed simulation of soft interactions. A geometry package called PENGEOM permits the generation of random electron-photon showers in material systems consisting of homogeneous bodies limited by quadric surfaces, i.e. planes, spheres, cylinders, etc. This report is intended not only to serve as a manual of the PENELOPE code system, but also to provide the user with the necessary information to understand the details of the Monte Carlo algorithm. These proceedings contain the corresponding manual and teaching notes of the PENELOPE-2006 workshop and training course, held on 4-7 July 2006 in Barcelona, Spain. (author)
Simulation of neutron transport process, photons and charged particles within the Monte Carlo method
International Nuclear Information System (INIS)
Androsenko, A.A.; Androsenko, P.A.; Artamonov, S.N.; Bolonkina, G.V.; Lomtev, V.L.; Pupko, S.V.
1991-01-01
Description is given to the program system BRAND designed for the accurate solution of non-stationary transport equation of neutrons, photons and charged particles in the conditions of real three-dimensional geometry. An extensive set of local and non-local estimates provides an opportunity of calculating a great set of linear functionals normally being of interest in the calculation of reactors, radiation protection and experiment simulation. The process of particle interaction with substance is simulated on the basis of individual non-group data on each isotope of the composition. 24 refs
RANS-based simulation of turbulent wave boundary layer and sheet-flow sediment transport processes
DEFF Research Database (Denmark)
Fuhrman, David R.; Schløer, Signe; Sterner, Johanna
2013-01-01
A numerical model coupling the horizontal component of the incompressible Reynolds-averaged Navier–Stokes (RANS) equationswith two-equation k−ω turbulence closure is presented and used to simulate a variety of turbulent wave boundary layer processes. The hydrodynamic model is additionally coupled...... with bed and suspended load descriptions, the latter based on an unsteady turbulent-diffusion equation, for simulation of sheet-flow sediment transport processes. In addition to standard features common within such RANS-based approaches, the present model includes: (1) hindered settling velocities at high...
GLOBAL RANDOM WALK SIMULATIONS FOR SENSITIVITY AND UNCERTAINTY ANALYSIS OF PASSIVE TRANSPORT MODELS
Directory of Open Access Journals (Sweden)
Nicolae Suciu
2011-07-01
Full Text Available The Global Random Walk algorithm (GRW performs a simultaneoustracking on a fixed grid of huge numbers of particles at costscomparable to those of a single-trajectory simulation by the traditional Particle Tracking (PT approach. Statistical ensembles of GRW simulations of a typical advection-dispersion process in groundwater systems with randomly distributed spatial parameters are used to obtain reliable estimations of the input parameters for the upscaled transport model and of their correlations, input-output correlations, as well as full probability distributions of the input and output parameters.
PATH: a lumped-element beam-transport simulation program with space charge
International Nuclear Information System (INIS)
Farrell, J.A.
1983-01-01
PATH is a group of computer programs for simulating charged-particle beam-transport systems. It was developed for evaluating the effects of some aberrations without a time-consuming integration of trajectories through the system. The beam-transport portion of PATH is derived from the well-known program, DECAY TURTLE. PATH contains all features available in DECAY TURTLE (including the input format) plus additional features such as a more flexible random-ray generator, longitudinal phase space, some additional beamline elements, and space-charge routines. One of the programs also provides a simulation of an Alvarez linear accelerator. The programs, originally written for a CDC 7600 computer system, also are available on a VAX-VMS system. All of the programs are interactive with input prompting for ease of use
Fully-kinetic Ion Simulation of Global Electrostatic Turbulent Transport in C-2U
Fulton, Daniel; Lau, Calvin; Bao, Jian; Lin, Zhihong; Tajima, Toshiki; TAE Team
2017-10-01
Understanding the nature of particle and energy transport in field-reversed configuration (FRC) plasmas is a crucial step towards an FRC-based fusion reactor. The C-2U device at Tri Alpha Energy (TAE) achieved macroscopically stable plasmas and electron energy confinement time which scaled favorably with electron temperature. This success led to experimental and theoretical investigation of turbulence in C-2U, including gyrokinetic ion simulations with the Gyrokinetic Toroidal Code (GTC). A primary objective of TAE's new C-2W device is to explore transport scaling in an extended parameter regime. In concert with the C-2W experimental campaign, numerical efforts have also been extended in A New Code (ANC) to use fully-kinetic (FK) ions and a Vlasov-Poisson field solver. Global FK ion simulations are presented. Future code development is also discussed.
International Nuclear Information System (INIS)
Apisit, Patchimpattapong; Alireza, Haghighat; Shedlock, D.
2003-01-01
An expert system for generating an effective mesh distribution for the SN particle transport simulation has been developed. This expert system consists of two main parts: 1) an algorithm for generating an effective mesh distribution in a serial environment, and 2) an algorithm for inference of an effective domain decomposition strategy for parallel computing. For the first part, the algorithm prepares an effective mesh distribution considering problem physics and the spatial differencing scheme. For the second part, the algorithm determines a parallel-performance-index (PPI), which is defined as the ratio of the granularity to the degree-of-coupling. The parallel-performance-index provides expected performance of an algorithm depending on computing environment and resources. A large index indicates a high granularity algorithm with relatively low coupling among processors. This expert system has been successfully tested within the PENTRAN (Parallel Environment Neutral-Particle Transport) code system for simulating real-life shielding problems. (authors)
Energy Technology Data Exchange (ETDEWEB)
Apisit, Patchimpattapong [Electricity Generating Authority of Thailand, Office of Corporate Planning, Bangkruai, Nonthaburi (Thailand); Alireza, Haghighat; Shedlock, D. [Florida Univ., Department of Nuclear and Radiological Engineering, Gainesville, FL (United States)
2003-07-01
An expert system for generating an effective mesh distribution for the SN particle transport simulation has been developed. This expert system consists of two main parts: 1) an algorithm for generating an effective mesh distribution in a serial environment, and 2) an algorithm for inference of an effective domain decomposition strategy for parallel computing. For the first part, the algorithm prepares an effective mesh distribution considering problem physics and the spatial differencing scheme. For the second part, the algorithm determines a parallel-performance-index (PPI), which is defined as the ratio of the granularity to the degree-of-coupling. The parallel-performance-index provides expected performance of an algorithm depending on computing environment and resources. A large index indicates a high granularity algorithm with relatively low coupling among processors. This expert system has been successfully tested within the PENTRAN (Parallel Environment Neutral-Particle Transport) code system for simulating real-life shielding problems. (authors)
Tokamak electron heat transport by direct numerical simulation of small scale turbulence
International Nuclear Information System (INIS)
Labit, B.
2002-10-01
In a fusion machine, understanding plasma turbulence, which causes a degradation of the measured energy confinement time, would constitute a major progress in this field. In tokamaks, the measured ion and electron thermal conductivities are of comparable magnitude. The possible sources of turbulence are the temperature and density gradients occurring in a fusion plasma. Whereas the heat losses in the ion channel are reasonably well understood, the origin of the electron losses is more uncertain. In addition to the radial velocity associated to the fluctuations of the electric field, electrons are more affected than ions by the magnetic field fluctuations. In experiments, the confinement time can be conveniently expressed in terms of dimensionless parameters. Although still somewhat too imprecise, these scaling laws exhibit strong dependencies on the normalized pressure β or the normalized Larmor radius, ρ * . The present thesis assesses whether a tridimensional, electromagnetic, nonlinear fluid model of plasma turbulence driven by a specific instability can reproduce the dependence of the experimental electron heat losses on the dimensionless parameters β and ρ * . The investigated interchange instability is the Electron Temperature Gradient driven one (ETG). The model is built by using the set of Braginskii equations. The developed simulation code is global in the sense that a fixed heat flux is imposed at the inner boundary, leaving the gradients free to evolve. From the nonlinear simulations, we have put in light three characteristics for the ETG turbulence: the turbulent transport is essentially electrostatic; the potential and pressure fluctuations form radially elongated cells called streamers; the transport level is very low compared to the experimental values. The thermal transport dependence study has shown a very small role of the normalized pressure, which is in contradiction with the Ohkama's formula. On the other hand, the crucial role of the
International Nuclear Information System (INIS)
Hassan, Ashraf Aly; Li, Zhen; Sahle-Demessie, Endalkachew; Sorial, George A.
2013-01-01
Highlights: ► Breakthrough curves used to study fate of NPs in slow sand filters (SSF). ► CFD simulate transport, attachment/detachment of NPs in SSFs. ► CFD predicted spatial and temporal changes for transient concentrations of NPs. ► CFD predicts low concentrations and steady NP influx would not be retained by SSFs. ► Pulse input is retained with outlet concentration of 0.2% of the inlet. -- Abstract: Experimental and computational investigation of the transport parameters of nanoparticles (NPs) flowing through porous media has been made. This work intends to develop a simulation applicable to the transport and retention of NPs in saturated porous media for investigating the effect of process conditions and operating parameters such, as ion strength, and filtration efficiency. Experimental data obtained from tracer and nano-ceria, CeO 2 , breakthrough studies were used to characterize dispersion of nanoparticle with the flow and their interaction with sand packed columns with different heights. Nanoparticle transport and concentration dynamics were solved using the Eulerian computational fluid dynamics (CFD) solver ANSYS/FLUENT ® based on a scaled down flow model. A numerical study using the Navier–Stokes equation with second order interaction terms was used to simulate the process. Parameters were estimated by fitting tracer, experimental NP transport data, and interaction of NP with the sand media. The model considers different concentrations of steady state inflow of NPs and different amounts of spike concentrations. Results suggest that steady state flow of dispersant-coated NPs would not be retained by a sand filter, while spike concentrations could be dampened effectively. Unlike analytical solutions, the CFD allows estimating flow profiles for structures with complex irregular geometry and uneven packing
Energy Technology Data Exchange (ETDEWEB)
Hassan, Ashraf Aly [U.S. Environmental Protection Agency, Office of Research and Development, National Risk Management Research Laboratory, 26 W. Martin Luther King Drive, Cincinnati, OH 45268 (United States); Li, Zhen [School of Energy, Environmental, Biological, and Medical Engineering, Environmental Engineering Program, University of Cincinnati, Cincinnati, OH (United States); Sahle-Demessie, Endalkachew, E-mail: sahle-demessie.endalkachew@epa.gov [U.S. Environmental Protection Agency, Office of Research and Development, National Risk Management Research Laboratory, 26 W. Martin Luther King Drive, Cincinnati, OH 45268 (United States); Sorial, George A. [School of Energy, Environmental, Biological, and Medical Engineering, Environmental Engineering Program, University of Cincinnati, Cincinnati, OH (United States)
2013-01-15
Highlights: ► Breakthrough curves used to study fate of NPs in slow sand filters (SSF). ► CFD simulate transport, attachment/detachment of NPs in SSFs. ► CFD predicted spatial and temporal changes for transient concentrations of NPs. ► CFD predicts low concentrations and steady NP influx would not be retained by SSFs. ► Pulse input is retained with outlet concentration of 0.2% of the inlet. -- Abstract: Experimental and computational investigation of the transport parameters of nanoparticles (NPs) flowing through porous media has been made. This work intends to develop a simulation applicable to the transport and retention of NPs in saturated porous media for investigating the effect of process conditions and operating parameters such, as ion strength, and filtration efficiency. Experimental data obtained from tracer and nano-ceria, CeO{sub 2}, breakthrough studies were used to characterize dispersion of nanoparticle with the flow and their interaction with sand packed columns with different heights. Nanoparticle transport and concentration dynamics were solved using the Eulerian computational fluid dynamics (CFD) solver ANSYS/FLUENT{sup ®} based on a scaled down flow model. A numerical study using the Navier–Stokes equation with second order interaction terms was used to simulate the process. Parameters were estimated by fitting tracer, experimental NP transport data, and interaction of NP with the sand media. The model considers different concentrations of steady state inflow of NPs and different amounts of spike concentrations. Results suggest that steady state flow of dispersant-coated NPs would not be retained by a sand filter, while spike concentrations could be dampened effectively. Unlike analytical solutions, the CFD allows estimating flow profiles for structures with complex irregular geometry and uneven packing.
Simulation of W dust transport in the KSTAR tokamak, comparison with fast camera data
Directory of Open Access Journals (Sweden)
A. Autricque
2017-08-01
Full Text Available In this paper, dust transport in tokamak plasmas is studied through both experimental and modeling aspects. Image processing routines allowing dust tracking on CCD camera videos are presented. The DUMPRO (DUst Movie PROcessing code features a dust detection method and a trajectory reconstruction algorithm. In addition, a dust transport code named DUMBO (DUst Migration in a plasma BOundary is briefly described. It has been developed at CEA in order to simulate dust grains transport in tokamaks and to evaluate the contribution of dust to the impurity inventory of the plasma. Like other dust transport codes, DUMBO integrates the Orbital Motion Limited (OML approach for dust/plasma interactions modeling. OML gives direct expressions for plasma ions and electrons currents, forces and heat fluxes on a dust grain. The equation of motion is solved, giving access to the dust trajectory. An attempt of model validation is made through comparison of simulated and measured trajectories on the 2015 KSTAR dust injection experiment, where W dust grains were successfully injected in the plasma using a gun-type injector. The trajectories of the injected particles, estimated using the DUMPRO routines applied on videos from the fast CCD camera in KSTAR, show two distinct general dust behaviors, due to different dust sizes. Simulations were made with DUMBO to match the measurements. Plasma parameters were estimated using different diagnostics during the dust injection experiment plasma discharge. The experimental trajectories show longer lifetimes than the simulated ones. This can be due to the substitution of a boiling/sublimation point to the usual vaporization/sublimation cooling, OML limitations (eventual potential barriers in the vicinity of a dust grain are neglected and/or to the lack of a vapor shielding model in DUMBO.
Large-Eddy Simulation of Flow and Pollutant Transport in Urban Street Canyons with Ground Heating
Li, Xian-Xiang; Britter, Rex E.; Koh, Tieh Yong; Norford, Leslie Keith; Liu, Chun-Ho; Entekhabi, Dara; Leung, Dennis Y. C.
2009-01-01
Our study employed large-eddy simulation (LES) based on a one-equation subgrid-scale model to investigate the flow field and pollutant dispersion characteristics inside urban street canyons. Unstable thermal stratification was produced by heating the ground of the street canyon. Using the Boussinesq approximation, thermal buoyancy forces were taken into account in both the Navier–Stokes equations and the transport equation for subgrid-scale turbulent kinetic energy (TKE). The LESs were valida...
Shultz, Christopher D.; Bailey, Ryan T.; Gates, Timothy K.; Heesemann, Brent E.; Morway, Eric D.
2018-01-01
Elevated levels of selenium (Se) in aqueous environments can harm aquatic life and endanger livestock and human health. Although Se occurs naturally in the rocks and soils of many alluvial aquifers, mining and agricultural activities can increase its rate of mobilization and transport to surface waters. Attention is given here to regions where nonpoint source return flows from irrigated lands carry pollutant loads to aquifers and streams, contributing to concentrations that violate regulatory and performance standards. Of particular concern is the heightened level and mobilization of Se influenced by nitrate (NO3), a harmful pollutant in its own right. We present a numerical model that simulates the reactive transport of Se and nitrogen (N) species in a coupled groundwater-surface water system. Building upon a conceptual model that incorporates the major processes affecting Se and NO3 transport in an irrigated watershed, the model links the finite-difference models MODFLOW, UZF-RT3D, and OTIS, to simulate flow and reactive transport of multiple chemical species in both the aquifer and a stream network, with mass exchange between the two. The capability of the new model is showcased by calibration, testing, and application to a 500 km2 region in Colorado’s Lower Arkansas River Valley using a rich data set gathered over a 10-yr period. Simulation of spatial and temporal distributions of Se concentration reveals conditions that exceed standards in groundwater for approximately 20% of the area. For the Arkansas River, standards are exceeded by 290%–450%. Simulation indicates that river concentrations of NO3 alone are near the current interim standard for the total of all dissolved N species. These results indicate the need for future use of the developed model to investigate the prospects for land and water best management practices to decrease pollutant levels.
Simulation of tungsten erosion and transport near the divertor plate during ELMs by a kinetic method
Energy Technology Data Exchange (ETDEWEB)
Sun, Zhenyue; Sang, Chaofeng; Hu, Wanpeng; Du, Hailong; Wang, Dezhen, E-mail: wangdez@dlut.edu.cn
2016-11-01
Highlights: • A kinetic method is used to simulate tungsten erosion and transport during ELMs. • The erosion of tungsten plate by different species (deuterium and carbon ions) is shown. • The charge states of sputtered tungsten particles are given statistically. - Abstract: Tungsten (W) is fore seen as one of the most important candidates of the plasma-facing materials (PFM) for future fusion devices, due to its beneficial properties. However, the high-Z characteristic makes it a potential contamination to the core plasma. Divertor is the main component that directly contacts the plasma, therefore, it is very important to understand the erosion of W divertor plate and the corresponding transport of the eroded wall impurity, especially during edge localized modes (ELMs). In this work, a one-dimension-in-space and three-dimensions-in-velocity particle-in-cell code (EPPIC1D) is used to simulate the erosion of W divertor plate, and the transport of eroded W impurity near the divertor plate is studied by a Monte Carlo code. Benefiting from the kinetic simulation, energy/particle flux to the target could be calculated accurately, and the erosion of W plate by different species is simulated during ELMs. The trajectories and distributions of eroded W impurity particles are demonstrated, which shows us a basic idea of how these impurity particles are generated and transported. It is found that C{sup 3+} plays a dominated role on the erosion of W divertor plate during ELMs even when its concentration is low. Both W atoms and ions distribute mainly near the divertor plate, indicating only a very small fraction of W impurity particles could escape from divertor region and penetrate into the core plasma.
Baräo, Fernando; Nakagawa, Masayuki; Távora, Luis; Vaz, Pedro
2001-01-01
This book focusses on the state of the art of Monte Carlo methods in radiation physics and particle transport simulation and applications, the latter involving in particular, the use and development of electron--gamma, neutron--gamma and hadronic codes. Besides the basic theory and the methods employed, special attention is paid to algorithm development for modeling, and the analysis of experiments and measurements in a variety of fields ranging from particle to medical physics.
Shultz, Christopher D.; Bailey, Ryan T.; Gates, Timothy K.; Heesemann, Brent E.; Morway, Eric D.
2018-05-01
Elevated levels of selenium (Se) in aqueous environments can harm aquatic life and endanger livestock and human health. Although Se occurs naturally in the rocks and soils of many alluvial aquifers, mining and agricultural activities can increase its rate of mobilization and transport to surface waters. Attention is given here to regions where nonpoint source return flows from irrigated lands carry pollutant loads to aquifers and streams, contributing to concentrations that violate regulatory and performance standards. Of particular concern is the heightened level and mobilization of Se influenced by nitrate (NO3), a harmful pollutant in its own right. We present a numerical model that simulates the reactive transport of Se and nitrogen (N) species in a coupled groundwater-surface water system. Building upon a conceptual model that incorporates the major processes affecting Se and NO3 transport in an irrigated watershed, the model links the finite-difference models MODFLOW, UZF-RT3D, and OTIS, to simulate flow and reactive transport of multiple chemical species in both the aquifer and a stream network, with mass exchange between the two. The capability of the new model is showcased by calibration, testing, and application to a 500 km2 region in Colorado's Lower Arkansas River Valley using a rich data set gathered over a 10-yr period. Simulation of spatial and temporal distributions of Se concentration reveals conditions that exceed standards in groundwater for approximately 20% of the area. For the Arkansas River, standards are exceeded by 290%-450%. Simulation indicates that river concentrations of NO3 alone are near the current interim standard for the total of all dissolved N species. These results indicate the need for future use of the developed model to investigate the prospects for land and water best management practices to decrease pollutant levels.
Simulation of the tunnelling transport in ferromagnetic GaAs/ZnO heterojunctions
Energy Technology Data Exchange (ETDEWEB)
Comesana, E; Aldegunde, M; Garcia-Loureiro, A J [Department de Electronica e Computacion, Universidade de Santiago de Compostela, 15782 Spain (Spain); Gehring, G A, E-mail: enrique.comesana@usc.e [Department of Physics and Astronomy, University of Sheffield, Sheffield S3 7RH (United Kingdom)
2010-07-01
In this work we have implemented a numerical simulator and analytical model to study the dependence of the tunnelling current on the polarization ratio of the carrier spin for a degenerate and ferromagnetic heterojunction. We have applied these models to study the behaviour of a magnetically doped GaAs/ZnO PN junction and the current transport in a PN heterojunction where the polarization of the spin of the charge carriers is also a control variable.
The simulation of L-H transition in tokamak plasma using MMM95 transport model
International Nuclear Information System (INIS)
Intharat, P; Poolyarat, N; Chatthong, B; Onjun, T; Picha, R
2015-01-01
BALDUR integrative predictive modelling code together with a Multimode (MMM95) anomalous transport model is used to simulate the evolution profiles, including plasma current, temperature, density and energy in a tokamak reactor. It is found that a self - transition from low confinement mode (L-mode) to high confinement mode (H-mode) regimes can be achieved once a sufficient auxiliary heating applied to the plasma is reached. The result agrees with experimental observations from various tokamaks. A strong reduction of turbulent transport near the edge of plasma is also observed, which is related to the formation of steep radial electric field near the edge regime. From transport analysis, it appears that the resistive ballooning mode is the dominant term near the plasma edge regime, which is significantly reduced during the transition. (paper)
Application of Transaction Costs in Analyzing Transport Corridors Using Multi-Agent-Based Simulation
Directory of Open Access Journals (Sweden)
Lawrence E. Henesey
2006-03-01
Full Text Available In analyzing the freight transportation systems, such as thetransport of intermodal containers, often direct monetary costsassociated with transportation are used to evaluate or determinethe choice of transport corridor. In forming decisions ontransport co"idor choice, this paper proposes that transactioncosts can be considered as an additional determinant in conductingtransport corridor analysis. The application of transactioncosts theory in analyzing the organizations and the transactionsthat occur, assists in indicating as to which governancestructure results in higher efficiencies. Efficiency is seen as eitherthe minimisation on costs or the maximisation of customerservice levels. The use of multi-agent based simulation for modellingthe organisational structure and mechanisms provides anovel approach in understanding the relationships in a regionaltransport co"idor.
International Nuclear Information System (INIS)
Mueller, Bernhard
2009-01-01
In this thesis, we have presented the first multi-dimensional models of core-collapse supernovae that combine a detailed, up-to-date treatment of neutrino transport, the equation of state, and - in particular - general relativistic gravity. Building on the well-tested neutrino transport code VERTEX and the GR hydrodynamics code CoCoNuT, we developed and implemented a relativistic generalization of a ray-by-ray-plus method for energy-dependent neutrino transport. The result of these effort, the VERTEX-CoCoNuT code, also incorporates a number of improved numerical techniques that have not been used in the code components VERTEX and CoCoNuT before. In order to validate the VERTEX-CoCoNuT code, we conducted several test simulations in spherical symmetry, most notably a comparison with the one-dimensional relativistic supernova code AGILE-BOLTZTRAN and the Newtonian PROMETHEUSVERTEX code. (orig.)
Random walk, diffusion and mixing in simulations of scalar transport in fluid flows
International Nuclear Information System (INIS)
Klimenko, A Y
2008-01-01
Physical similarity and mathematical equivalence of continuous diffusion and particle random walk form one of the cornerstones of modern physics and the theory of stochastic processes. In many applied models used in simulation of turbulent transport and turbulent combustion, mixing between particles is used to reflect the influence of the continuous diffusion terms in the transport equations. We show that the continuous scalar transport and diffusion can be accurately specified by means of mixing between randomly walking Lagrangian particles with scalar properties and assess errors associated with this scheme. This gives an alternative formulation for the stochastic process which is selected to represent the continuous diffusion. This paper focuses on statistical errors and deals with relatively simple cases, where one-particle distributions are sufficient for a complete description of the problem.
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.
Energy Technology Data Exchange (ETDEWEB)
Mueller, Bernhard
2009-05-07
In this thesis, we have presented the first multi-dimensional models of core-collapse supernovae that combine a detailed, up-to-date treatment of neutrino transport, the equation of state, and - in particular - general relativistic gravity. Building on the well-tested neutrino transport code VERTEX and the GR hydrodynamics code CoCoNuT, we developed and implemented a relativistic generalization of a ray-by-ray-plus method for energy-dependent neutrino transport. The result of these effort, the VERTEX-CoCoNuT code, also incorporates a number of improved numerical techniques that have not been used in the code components VERTEX and CoCoNuT before. In order to validate the VERTEX-CoCoNuT code, we conducted several test simulations in spherical symmetry, most notably a comparison with the one-dimensional relativistic supernova code AGILE-BOLTZTRAN and the Newtonian PROMETHEUSVERTEX code. (orig.)
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.
Adapting HYDRUS-1D to Simulate Overland Flow and Reactive Transport During Sheet Flow Deviations
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
Simulation Study of Flap Effects on a Commercial Transport Airplane in Upset Conditions
Cunningham, Kevin; Foster, John V.; Shah, Gautam H.; Stewart, Eric C.; Ventura, Robin N.; Rivers, Robert A.; Wilborn, James E.; Gato, William
2005-01-01
As part of NASA's Aviation Safety and Security Program, a simulation study of a twinjet transport airplane crew training simulation was conducted to address fidelity for upset or loss of control conditions and to study the effect of flap configuration in those regimes. Piloted and desktop simulations were used to compare the baseline crew training simulation model with an enhanced aerodynamic model that was developed for high-angle-of-attack conditions. These studies were conducted with various flap configurations and addressed the approach-to-stall, stall, and post-stall flight regimes. The enhanced simulation model showed that flap configuration had a significant effect on the character of departures that occurred during post-stall flight. Preliminary comparisons with flight test data indicate that the enhanced model is a significant improvement over the baseline. Some of the unrepresentative characteristics that are predicted by the baseline crew training simulation for flight in the post-stall regime have been identified. This paper presents preliminary results of this simulation study and discusses key issues regarding predicted flight dynamics characteristics during extreme upset and loss-of-control flight conditions with different flap configurations.
Magnetically Modulated Heat Transport in a Global Simulation of Solar Magneto-convection
Energy Technology Data Exchange (ETDEWEB)
Cossette, Jean-Francois [Laboratory for Atmospheric and Space Physics, Campus Box 600, University of Colorado, Boulder, CO 80303 (United States); Charbonneau, Paul [Département de Physique, Université de Montréal, C.P. 6128, Succ. Centre-Ville, Montréal, QC H3C 3J7 (Canada); Smolarkiewicz, Piotr K. [European Centre for Medium-Range Weather Forecasts, Reading, RG2 9AX (United Kingdom); Rast, Mark P., E-mail: Jean-Francois.Cossette@lasp.colorado.edu, E-mail: paulchar@astro.umontreal.ca, E-mail: smolar@ecmwf.int, E-mail: Mark.Rast@lasp.colorado.edu [Department of Astrophysical and Planetary Sciences, Laboratory for Atmospheric and Space Physics, Campus Box 391, University of Colorado, Boulder, CO 80303 (United States)
2017-05-20
We present results from a global MHD simulation of solar convection in which the heat transported by convective flows varies in-phase with the total magnetic energy. The purely random initial magnetic field specified in this experiment develops into a well-organized large-scale antisymmetric component undergoing hemispherically synchronized polarity reversals on a 40 year period. A key feature of the simulation is the use of a Newtonian cooling term in the entropy equation to maintain a convectively unstable stratification and drive convection, as opposed to the specification of heating and cooling terms at the bottom and top boundaries. When taken together, the solar-like magnetic cycle and the convective heat flux signature suggest that a cyclic modulation of the large-scale heat-carrying convective flows could be operating inside the real Sun. We carry out an analysis of the entropy and momentum equations to uncover the physical mechanism responsible for the enhanced heat transport. The analysis suggests that the modulation is caused by a magnetic tension imbalance inside upflows and downflows, which perturbs their respective contributions to heat transport in such a way as to enhance the total convective heat flux at cycle maximum. Potential consequences of the heat transport modulation for solar irradiance variability are briefly discussed.
Monte-Carlo simulation of complex vapor-transport systems for RIB applications
International Nuclear Information System (INIS)
Zhang, Y.; Alton, G.D.
2005-01-01
In order to minimize decay losses of short-lived radioactive species at ISOL based RIB facilities, effusive-flow particle transit times between target and ion source must be as short as practically achievable. A Monte-Carlo code has been developed for simulating the effusive-flow of neutral particles through vapor-transport systems independent of materials of construction. The code provides average distance traveled and time information associated with the transit of individual particles through a system. It offers a cost effective and accurate means for arriving at vapor-transport system designs. In this report, the code will be described and results obtained by its use in evaluating several prototype vapor-transport systems using specular reflection, cosine and isotropic particle re-emission about the normal to the surface models following adsorption. Simulation results obtained with an isotropic distribution are in close agreement with experimental measurements of the properties of prototype vapor-transport systems fabricated at the Holifield Radioactive Ion Beam Facility
International Nuclear Information System (INIS)
Ross, D.W.
1988-06-01
An overview of the program has been given in the recent proposal. The principal objectives are to provide theoretical interpretation and computer modelling for the TEXT tokamak, and to advance the simulation studies of tokamaks generally, functioning as a national transport computation facility. We also carry out equilibrium and stability studies in support of the TEXT upgrade, and work continues, at low levels, on Alfven waves and MFEnet software development. The specific focus of the program is to lay the groundwork for detailed comparison with experiment of the various transport theories, so that physics understanding and confidence in predictions of future machine behavior will be enhanced. This involves to collect, in retrievable form, the data from TEXT and other tokamaks to make the data available through easy-to-use interfaces; to develop criteria for success in fitting models to the data; to maintain the Texas transport code, CHAPO, and make it available to users; to collect theoretical models and implement them in the transport code; and to carry out the simulation studies and evaluate the fits to the data. 37 refs
International Nuclear Information System (INIS)
Yamazaki, K.; Yamada, I.; Taniguchi, S.; Oishi, T.
2009-01-01
Full text: The high performance plasma behavior is required to realize economic and environmental-friendly fusion reactors compatible with conventional power plant systems. To improve plasma confinement, the formation of internal transport barrier (ITB) is anticipated, and its behavior is analyzed by the simulation code TOTAL (Toroidal Transport Linkage Analysis). This TOTAL code comprises a 2- or 3-dimensional equilibrium and 1-dimensional predictive transport code for both tokamak and helical systems. In the tokamak code TOTAL-T, the external current drive, bootstrap current, sawtooth oscillation, ballooning mode and neoclassical tearing mode (NTM) analyses are included. The steady-state burning plasma operation is achieved by the feedback control of pellet injection fuelling and external heating power control. The impurity dynamics of iron and tungsten is also included in this code. The NTM effects are evaluated using the modified Rutherford Model with the stabilization of the ECCD current drive. The excitation of m=2/n=1 NTM leads to the 20 % reduction in the central temperature in ITER-like reactors. Recently, the external non-resonant helical field application is analyzed and its stabilization properties are evaluated. The pellet injection effects on ITB formation is also clarified in tokamak and helical plasmas. Relationship between sawtooth oscillation and impurity ejection is recently simulated in comparison with experimental data. In this conference, we will show above-stated new results on MHD instability effects on burning plasma transport. (author)
Interface methods for hybrid Monte Carlo-diffusion radiation-transport simulations
International Nuclear Information System (INIS)
Densmore, Jeffery D.
2006-01-01
Discrete diffusion Monte Carlo (DDMC) is a technique for increasing the efficiency of Monte Carlo simulations in diffusive media. An important aspect of DDMC is the treatment of interfaces between diffusive regions, where DDMC is used, and transport regions, where standard Monte Carlo is employed. Three previously developed methods exist for treating transport-diffusion interfaces: the Marshak interface method, based on the Marshak boundary condition, the asymptotic interface method, based on the asymptotic diffusion-limit boundary condition, and the Nth-collided source technique, a scheme that allows Monte Carlo particles to undergo several collisions in a diffusive region before DDMC is used. Numerical calculations have shown that each of these interface methods gives reasonable results as part of larger radiation-transport simulations. In this paper, we use both analytic and numerical examples to compare the ability of these three interface techniques to treat simpler, transport-diffusion interface problems outside of a more complex radiation-transport calculation. We find that the asymptotic interface method is accurate regardless of the angular distribution of Monte Carlo particles incident on the interface surface. In contrast, the Marshak boundary condition only produces correct solutions if the incident particles are isotropic. We also show that the Nth-collided source technique has the capacity to yield accurate results if spatial cells are optically small and Monte Carlo particles are allowed to undergo many collisions within a diffusive region before DDMC is employed. These requirements make the Nth-collided source technique impractical for realistic radiation-transport calculations
Using travel times to simulate multi-dimensional bioreactive transport in time-periodic flows.
Sanz-Prat, Alicia; Lu, Chuanhe; Finkel, Michael; Cirpka, Olaf A
2016-04-01
In travel-time models, the spatially explicit description of reactive transport is replaced by associating reactive-species concentrations with the travel time or groundwater age at all locations. These models have been shown adequate for reactive transport in river-bank filtration under steady-state flow conditions. Dynamic hydrological conditions, however, can lead to fluctuations of infiltration velocities, putting the validity of travel-time models into question. In transient flow, the local travel-time distributions change with time. We show that a modified version of travel-time based reactive transport models is valid if only the magnitude of the velocity fluctuates, whereas its spatial orientation remains constant. We simulate nonlinear, one-dimensional, bioreactive transport involving oxygen, nitrate, dissolved organic carbon, aerobic and denitrifying bacteria, considering periodic fluctuations of velocity. These fluctuations make the bioreactive system pulsate: The aerobic zone decreases at times of low velocity and increases at those of high velocity. For the case of diurnal fluctuations, the biomass concentrations cannot follow the hydrological fluctuations and a transition zone containing both aerobic and obligatory denitrifying bacteria is established, whereas a clear separation of the two types of bacteria prevails in the case of seasonal velocity fluctuations. We map the 1-D results to a heterogeneous, two-dimensional domain by means of the mean groundwater age for steady-state flow in both domains. The mapped results are compared to simulation results of spatially explicit, two-dimensional, advective-dispersive-bioreactive transport subject to the same relative fluctuations of velocity as in the one-dimensional model. The agreement between the mapped 1-D and the explicit 2-D results is excellent. We conclude that travel-time models of nonlinear bioreactive transport are adequate in systems of time-periodic flow if the flow direction does not change
Lattice Boltzmann simulation of CO2 reactive transport in network fractured media
Tian, Zhiwei; Wang, Junye
2017-08-01
Carbon dioxide (CO2) geological sequestration plays an important role in mitigating CO2 emissions for climate change. Understanding interactions of the injected CO2 with network fractures and hydrocarbons is key for optimizing and controlling CO2 geological sequestration and evaluating its risks to ground water. However, there is a well-known, difficult process in simulating the dynamic interaction of fracture-matrix, such as dynamic change of matrix porosity, unsaturated processes in rock matrix, and effect of rock mineral properties. In this paper, we develop an explicit model of the fracture-matrix interactions using multilayer bounce-back treatment as a first attempt to simulate CO2 reactive transport in network fractured media through coupling the Dardis's LBM porous model for a new interface treatment. Two kinds of typical fracture networks in porous media are simulated: straight cross network fractures and interleaving network fractures. The reaction rate and porosity distribution are illustrated and well-matched patterns are found. The species concentration distribution and evolution with time steps are also analyzed and compared with different transport properties. The results demonstrate the capability of this model to investigate the complex processes of CO2 geological injection and reactive transport in network fractured media, such as dynamic change of matrix porosity.
Simulating pesticide transport from a sloped tropical soil to an adjacent stream.
Kahl, G; Ingwersen, J; Totrakool, S; Pansombat, K; Thavornyutikarn, P; Streck, T
2010-01-01
Preferential flow from stream banks is an important component of pesticide transport in the mountainous areas of northern Thailand. Models can help evaluate and interpret field data and help identify the most important transport processes. We developed a simple model to simulate the loss of pesticides from a sloped litchi (Litchi chinensis Sonn.) orchard to an adjacent stream. The water regime was modeled with a two-domain reservoir model, which accounts for rapid preferential flow simultaneously with slow flow processes in the soil matrix. Preferential flow is triggered when the topsoil matrix is saturated or the infiltration capacity exceeded. In addition, close to matrix saturation, rainfall events induce water release to the fractures and lead to desorption of pesticides from fracture walls and outflow to the stream. Pesticides undergo first order degradation and equilibrium sorption to soil matrix and fracture walls. The model was able to reproduce the dynamics of the discharge reasonably well (model efficiency [EF] = 0.56). The cumulative pesticide mass (EF = 0.91) and the pesticide concentration in the stream were slightly underestimated, but the deviation from measurement data is acceptable. Shape and timing of the simulated concentration peaks occurred in the same pattern as observed data. While the effect of surface runoff and preferential interflow on pesticide mass transport could not be absolutely clarified, according to our simulations, most concentration peaks in the stream are caused by preferential interflow pointing to the important role of this flow path in the hilly areas of northern Thailand.
Srna-Monte Carlo codes for proton transport simulation in combined and voxelized geometries
Ilic, R D; Stankovic, S J
2002-01-01
This paper describes new Monte Carlo codes for proton transport simulations in complex geometrical forms and in materials of different composition. The SRNA codes were developed for three dimensional (3D) dose distribution calculation in proton therapy and dosimetry. The model of these codes is based on the theory of proton multiple scattering and a simple model of compound nucleus decay. The developed package consists of two codes: SRNA-2KG and SRNA-VOX. The first code simulates proton transport in combined geometry that can be described by planes and second order surfaces. The second one uses the voxelized geometry of material zones and is specifically adopted for the application of patient computer tomography data. Transition probabilities for both codes are given by the SRNADAT program. In this paper, we will present the models and algorithms of our programs, as well as the results of the numerical experiments we have carried out applying them, along with the results of proton transport simulation obtaine...
A heuristic simulation model of Lake Ontario circulation and mass balance transport
McKenna, J.E.; Chalupnicki, M.A.
2011-01-01
The redistribution of suspended organisms and materials by large-scale currents is part of natural ecological processes in large aquatic systems but can contribute to ecosystem disruption when exotic elements are introduced into the system. Toxic compounds and planktonic organisms spend various lengths of time in suspension before settling to the bottom or otherwise being removed. We constructed a simple physical simulation model, including the influence of major tributaries, to qualitatively examine circulation patterns in Lake Ontario. We used a simple mass balance approach to estimate the relative water input to and export from each of 10 depth regime-specific compartments (nearshore vs. offshore) comprising Lake Ontario. Despite its simplicity, our model produced circulation patterns similar to those reported by more complex studies in the literature. A three-gyre pattern, with the classic large counterclockwise central lake circulation, and a simpler two-gyre system were both observed. These qualitative simulations indicate little offshore transport along the south shore, except near the mouths of the Niagara River and Oswego River. Complex flow structure was evident, particularly near the Niagara River mouth and in offshore waters of the eastern basin. Average Lake Ontario residence time is 8 years, but the fastest model pathway indicated potential transport of plankton through the lake in as little as 60 days. This simulation illustrates potential invasion pathways and provides rough estimates of planktonic larval dispersal or chemical transport among nearshore and offshore areas of Lake Ontario. ?? 2011 Taylor & Francis.
Energy Technology Data Exchange (ETDEWEB)
Cowee, Misa M [Los Alamos National Laboratory; Winske, Dan [Los Alamos National Laboratory; Gary, S Peter [Los Alamos National Laboratory
2009-01-01
Two-dimensional hybrid (kinetic ions, massless fluid electrons) simulations of the Kelvin Helmholtz Instability (KHI) for a magnetopause configuration with a magnetic shear across the boundary are carried out to examine how the transport of magnetosheath plasma into the magnetosphere is affected by the shear field. Low magnetic shear conditions where the magnetosheath magnetic field is within 30{sup o} of northward is included in the simulations because KHI is thought to be important for plasma transport only for northward or near-northward interplanetary magnetic field orientations. The simulations show that coherent vortices can grow for these near-northward angles, and that they are sometimes more coherent than for pure northward conditions because the turbulence which breaks-down these vortices is reduced when there are magnetic tension forces. With increasing magnetic shear angle, the growth rate is reduced, and the vortices do not grow to as large of size which reduces the plasma transport. By tracking the individual particle motions diffusion coefficients can be obtained for the system, where the diffusion is not classical in nature but instead has a time dependence resulting from both the increasingly large-scale vortex motion and the small-scale turbulence generated in the break-down of the instabilities. Results indicate that diffusion on the order of 10{sup 9} m{sup 2}/s could possibly be generated by KHI on the flanks of the magnetosphere.
Simulation of the Twin Lake tracer tests using different transport models
International Nuclear Information System (INIS)
Kaleris, V.; Klukas, M.; Moltyaner, G.L.
1990-01-01
The 1983 Twin Lake tracer test was simulated using two different sets of the aquifer parameters and three different numerical models. The purpose of the simulations was to identify the parameter set and the model most appropriate to describe the transport phenomena in the Twin Lake aquifer. It is shown that a reliable estimation of the aquifer parameters cannot be obtained from the flow model alone. Transport models must also be used to obtain a reliable estimate of parameters. The method-of-characteristics and random-walk models were used for this purpose. The sensitivity of the results to different execution parameters was evaluated and the required computational efforts were compared. Finally, results obtained by the method of characteristics were compared with the results of a finite element simulation carried out with the same spatial discretization. The comparison demonstrates the influence of the numerical dispersion on the results of the finite element method. Travel time calculations represent a simple way to test the accuracy of the aquifer parameters before transport modeling is done. (Author) (14 refs, 19 figs., 3 tabs.)
Lan, G.; Jiang, J.; Li, D. D.; Yi, W. S.; Zhao, Z.; Nie, L. N.
2013-12-01
The calculation of water-hammer pressure phenomenon of single-phase liquid is already more mature for a pipeline of uniform characteristics, but less research has addressed the calculation of slurry water hammer pressure in complex pipelines with slurry flows carrying solid particles. In this paper, based on the developments of slurry pipelines at home and abroad, the fundamental principle and method of numerical simulation of transient processes are presented, and several boundary conditions are given. Through the numerical simulation and analysis of transient processes of a practical engineering of long-distance slurry transportation pipeline system, effective protection measures and operating suggestions are presented. A model for calculating the water impact of solid and fluid phases is established based on a practical engineering of long-distance slurry pipeline transportation system. After performing a numerical simulation of the transient process, analyzing and comparing the results, effective protection measures and operating advice are recommended, which has guiding significance to the design and operating management of practical engineering of longdistance slurry pipeline transportation system.
International Nuclear Information System (INIS)
Lan, G; Jiang, J; Li, D D; Yi, W S; Zhao, Z; Nie, L N
2013-01-01
The calculation of water-hammer pressure phenomenon of single-phase liquid is already more mature for a pipeline of uniform characteristics, but less research has addressed the calculation of slurry water hammer pressure in complex pipelines with slurry flows carrying solid particles. In this paper, based on the developments of slurry pipelines at home and abroad, the fundamental principle and method of numerical simulation of transient processes are presented, and several boundary conditions are given. Through the numerical simulation and analysis of transient processes of a practical engineering of long-distance slurry transportation pipeline system, effective protection measures and operating suggestions are presented. A model for calculating the water impact of solid and fluid phases is established based on a practical engineering of long-distance slurry pipeline transportation system. After performing a numerical simulation of the transient process, analyzing and comparing the results, effective protection measures and operating advice are recommended, which has guiding significance to the design and operating management of practical engineering of longdistance slurry pipeline transportation system
Coupling of WRF and Building-resolved CFD Simulations for Greenhouse Gas Transport and Dispersion
Prasad, K.; Hu, H.; McDermott, R.; Lopez-Coto, I.; Davis, K. J.; Whetstone, J. R.; Lauvaux, T.
2014-12-01
The Indianapolis Flux Experiment (INFLUX) aims to use a top-down inversion methodology to quantify sources of Greenhouse Gas (GHG) emissions over an urban domain with high spatial and temporal resolution. Atmospheric transport of tracer gases from an emission source to a tower mounted receptor are usually conducted using the Weather Research and Forecasting (WRF) model. WRF is used extensively in the atmospheric community to simulate mesoscale atmospheric transport. For such simulations, WRF employs a parameterized turbulence model and does not resolve the fine scale dynamics that are generated by the flow around buildings and communities that are part of a large city. Since the model domain includes the city of Indianapolis, much of the flow of interest is over an urban topography. The NIST Fire Dynamics Simulator (FDS) is a computational fluid dynamics model to perform large eddy simulations of flow around buildings, but it has not been nested within a larger-scale atmospheric transport model such as WRF. FDS has the potential to evaluate the impact of complex urban topography on near-field dispersion and mixing that cannot be simulated with a mesoscale atmospheric model, and which may be important to determining urban GHG emissions using atmospheric measurements. A methodology has been developed to run FDS as a sub-grid scale model within a WRF simulation. The coupling is based on nudging the FDS flow field towards the one computed by WRF, and is currently limited to one way coupling performed in an off-line mode. Using the coupled WRF / FDS model, NIST will investigate the effects of the urban canopy at horizontal resolutions of 2-10 m. The coupled WRF-FDS simulations will be used to calculate the dispersion of tracer gases in an urban domain and to evaluate the upwind areas that contribute to tower observations, referred to in the inversion community as influence functions. Predicted mixing ratios will be compared with tower measurements and WRF simulations
International Nuclear Information System (INIS)
Satake, Shinsuke; Okamoto, Masao; Nakajima, Noriyoshi; Takamaru, Hisanori
2005-11-01
A neoclassical transport simulation code (FORTEC-3D) applicable to three-dimensional configurations has been developed using High Performance Fortran (HPF). Adoption of computing techniques for parallelization and a hybrid simulation model to the δf Monte-Carlo method transport simulation, including non-local transport effects in three-dimensional configurations, makes it possible to simulate the dynamism of global, non-local transport phenomena with a self-consistent radial electric field within a reasonable computation time. In this paper, development of the transport code using HPF is reported. Optimization techniques in order to achieve both high vectorization and parallelization efficiency, adoption of a parallel random number generator, and also benchmark results, are shown. (author)
Prasad, K.; Lopez-Coto, I.; Ghosh, S.; Mueller, K.; Whetstone, J. R.
2015-12-01
The North-East Corridor project aims to use a top-down inversion methodology to quantify sources of Greenhouse Gas (GHG) emissions over urban domains such as Washington DC / Baltimore with high spatial and temporal resolution. Atmospheric transport of tracer gases from an emission source to a tower mounted receptor are usually conducted using the Weather Research and Forecasting (WRF) model. For such simulations, WRF employs a parameterized turbulence model and does not resolve the fine scale dynamics generated by the flow around buildings and communities comprising a large city. The NIST Fire Dynamics Simulator (FDS) is a computational fluid dynamics model that utilizes large eddy simulation methods to model flow around buildings at length scales much smaller than is practical with WRF. FDS has the potential to evaluate the impact of complex urban topography on near-field dispersion and mixing difficult to simulate with a mesoscale atmospheric model. Such capabilities may be important in determining urban GHG emissions using atmospheric measurements. A methodology has been developed to run FDS as a sub-grid scale model within a WRF simulation. The coupling is based on nudging the FDS flow field towards that computed by WRF, and is currently limited to one way coupling performed in an off-line mode. Using the coupled WRF / FDS model, NIST will investigate the effects of the urban canopy at horizontal resolutions of 10-20 m in a domain of 12 x 12 km. The coupled WRF-FDS simulations will be used to calculate the dispersion of tracer gases in the North-East Corridor and to evaluate the upwind areas that contribute to tower observations, referred to in the inversion community as influence functions. Results of this study will provide guidance regarding the importance of explicit simulations of urban atmospheric turbulence in obtaining accurate estimates of greenhouse gas emissions and transport.
Heywood, Charles E.
2013-01-01
Vulnerability to contamination from manmade and natural sources can be characterized by the groundwater-age distribution measured in a supply well and the associated implications for the source depths of the withdrawn water. Coupled groundwater flow and transport models were developed to simulate the transport of the geochemical age-tracers carbon-14, tritium, and three chlorofluorocarbon species to public-supply wells in Albuquerque, New Mexico. A separate, regional-scale simulation of transport of carbon-14 that used the flow-field computed by a previously documented regional groundwater flow model was calibrated and used to specify the initial concentrations of carbon-14 in the local-scale transport model. Observations of the concentrations of each of the five chemical species, in addition to water-level observations and measurements of intra-borehole flow within a public-supply well, were used to calibrate parameters of the local-scale groundwater flow and transport models. The calibrated groundwater flow model simulates the mixing of “young” groundwater, which entered the groundwater flow system after 1950 as recharge at the water table, with older resident groundwater that is more likely associated with natural contaminants. Complexity of the aquifer system in the zone of transport between the water table and public-supply well screens was simulated with a geostatistically generated stratigraphic realization based upon observed lithologic transitions at borehole control locations. Because effective porosity was simulated as spatially uniform, the simulated age tracers are more efficiently transported through the portions of the simulated aquifer with relatively higher simulated hydraulic conductivity. Non-pumping groundwater wells with long screens that connect aquifer intervals having different hydraulic heads can provide alternate pathways for contaminant transport that are faster than the advective transport through the aquifer material. Simulation of
Charge transport in organic light-emitting diodes. Experiments and simulations
Energy Technology Data Exchange (ETDEWEB)
Schober, Matthias
2012-11-01
This thesis is about the development and validation of a numerical model for the simulation of the current-voltage characteristics of organic thin-film devices. The focus is on the analysis of a white organic light-emitting diode (OLED) with fluorescent blue and phosphorescent red and green emitters. The simulation model describes the charge transport as a one-dimensional drift-diffusion current and is developed on the basis of the Scharfetter-Gummel method. It incorporates modern theories for the charge transport in disordered organic materials, which are considered by means of special functions for the diffusion coefficient and the charge-carrier mobility. The algorithm is designed such that it can switch between different models for mobility and calculates both transient and steady-state solutions. In the analysis of the OLED, electron and hole transport are investigated separately in series of single-carrier devices. These test devices incorporate parts of the layers in the OLED between symmetrically arranged injection layers that are electrically doped. Thereby, the OLED layer sequence is reconstructed step by step. The analysis of the test devices allows to obtain the numerous parameters which are required for the simulation of the complete OLED and reveals many interesting features of the OLED. For instance, it is shown how the accumulation of charge carriers in front of an interface barrier increases the mobility and the transfer rate across the interface. Furthermore, it is demonstrated how to identify charge-trapping states. This leads to the detection of deep trap states in the emission zone of the OLED -- an interesting aspect, since these states can function as recombination centers and may cause non-radiative losses. Moreover, various other effects such as interface dipoles and a slight freeze-out of active electric dopants in the injection layers are observed. In the simulations of the numerous test devices, the parameters are consistently applied
Bailey, R. T.; Gates, T. K.
2011-12-01
The fate and transport of nitrogen (N) species in irrigated agricultural groundwater systems is governed by irrigation patterns, cultivation practices, aquifer-surface water exchanges, and chemical reactions such as oxidation-reduction, volatilization, and sorption, as well as the presence of dissolved oxygen (O2). We present results of applying the newly-developed numerical model RT3D-AG to a 50,400-ha regional study site within the Lower Arkansas River Valley in southeastern Colorado, where elevated concentrations of NO3 have been observed in both groundwater and surface water during the recent decade. Furthermore, NO3 has a strong influence on the fate and transport of other contaminants in the aquifer system such as selenium (Se) through inhibition of reduction of dissolved Se as well as oxidation of precipitate Se from outcropped and bedrock shale. RT3D-AG, developed by appending the multi-species reactive transport finite-difference model RT3D with modular packages that account for variably-saturated transport, the cycling of carbon (C) and N, and the fate and transport of O2 within the soil and aquifer system, simulates organic C and organic N decomposition and mineralization, oxidation-reduction reactions, and sorption. System sources/sinks consist of applied fertilizer and manure; crop uptake of ammonium (NH4) and NO3 during the growing season; mass of O2, NO3, and NH4 associated with irrigation water and canal seepage; mass of O2, NO3, and NH4 transferred to canals and the Arkansas River from the aquifer; and dead root mass and after-harvest stover mass incorporated into the soil organic matter at the end of the growing season. Chemical reactions are simulated using first-order Monod kinetics, wherein the rate of reaction is dependent on the concentration of the reactants as well as temperature and water content of the soil. Fertilizer and manure application timing and loading, mass of seasonal crop uptake, and end-of-season root mass and stover mass are
Numerical simulations of self-pinched transport of intense ion beams in low-pressure gases
International Nuclear Information System (INIS)
Rose, D.V.; Ottinger, P.F.; Welch, D.R.; Oliver, B.V.; Olson, C.L.
1999-01-01
The self-pinched transport of intense ion beams in low-pressure background gases is studied using numerical simulations and theoretical analysis. The simulations are carried out in a parameter regime that is similar to proton beam experiments being fielded on the Gamble II pulsed power generator [J. D. Shipman, Jr., IEEE Trans. Nucl. Sci. NS-18, 243 (1971)] at the Naval Research Laboratory. Simulation parameter variations provide information on scaling with background gas species, gas pressure, beam current, beam energy, injection angles, and boundaries. The simulation results compare well with simple analytic scaling arguments for the gas pressure at which the effective net current should peak and with estimates for the required confinement current. The analysis indicates that the self-pinched transport of intense proton beams produced on Gamble II (1.5 MeV, 100 kA, 3 cm radius) is expected to occur at gas pressures between 30 and 80 mTorr of He or between 3 and 10 mTorr of Ar. The significance of these results to ion-driven inertial confinement fusion is discussed. copyright 1999 American Institute of Physics
Premar-2: a Monte Carlo code for radiative transport simulation in atmospheric environments
International Nuclear Information System (INIS)
Cupini, E.
1999-01-01
The peculiarities of the PREMAR-2 code, aimed at radiation transport Monte Carlo simulation in atmospheric environments in the infrared-ultraviolet frequency range, are described. With respect to the previously developed PREMAR code, besides plane multilayers, spherical multilayers and finite sequences of vertical layers, each one with its own atmospheric behaviour, are foreseen in the new code, together with the refraction phenomenon, so that long range, highly slanted paths can now be more faithfully taken into account. A zenithal angular dependence of the albedo coefficient has moreover been introduced. Lidar systems, with spatially independent source and telescope, are allowed again to be simulated, and, in this latest version of the code, sensitivity analyses to be performed. According to this last feasibility, consequences on radiation transport of small perturbations in physical components of the atmospheric environment may be analyze and the related effects on searched results estimated. The availability of a library of physical data (reaction coefficients, phase functions and refraction indexes) is required by the code, providing the essential features of the environment of interest needed of the Monte Carlo simulation. Variance reducing techniques have been enhanced in the Premar-2 code, by introducing, for instance, a local forced collision technique, especially apt to be used in Lidar system simulations. Encouraging comparisons between code and experimental results carried out at the Brasimone Centre of ENEA, have so far been obtained, even if further checks of the code are to be performed [it
Simulation of photon and charge transport in X-ray imaging semiconductor sensors
Nilsson, H E; Hjelm, M; Bertilsson, K
2002-01-01
A fully stochastic model for the imaging properties of X-ray silicon pixel detectors is presented. Both integrating and photon counting configurations have been considered, as well as scintillator-coated structures. The model is based on three levels of Monte Carlo simulations; photon transport and absorption using MCNP, full band Monte Carlo simulation of charge transport and system level Monte Carlo simulation of the imaging performance of the detector system. In the case of scintillator-coated detectors, the light scattering in the detector layers has been simulated using a Monte Carlo method. The image resolution was found to be much lower in scintillator-coated systems due to large light spread in thick scintillator layers. A comparison between integrating and photon counting readout methods shows that the image resolution can be slightly enhanced using a photon-counting readout. In addition, the proposed model has been used to study charge-sharing effects on the energy resolution in photon counting dete...
Phast4Windows: A 3D graphical user interface for the reactive-transport simulator PHAST
Charlton, Scott R.; Parkhurst, David L.
2013-01-01
Phast4Windows is a Windows® program for developing and running groundwater-flow and reactive-transport models with the PHAST simulator. This graphical user interface allows definition of grid-independent spatial distributions of model properties—the porous media properties, the initial head and chemistry conditions, boundary conditions, and locations of wells, rivers, drains, and accounting zones—and other parameters necessary for a simulation. Spatial data can be defined without reference to a grid by drawing, by point-by-point definitions, or by importing files, including ArcInfo® shape and raster files. All definitions can be inspected, edited, deleted, moved, copied, and switched from hidden to visible through the data tree of the interface. Model features are visualized in the main panel of the interface, so that it is possible to zoom, pan, and rotate features in three dimensions (3D). PHAST simulates single phase, constant density, saturated groundwater flow under confined or unconfined conditions. Reactions among multiple solutes include mineral equilibria, cation exchange, surface complexation, solid solutions, and general kinetic reactions. The interface can be used to develop and run simple or complex models, and is ideal for use in the classroom, for analysis of laboratory column experiments, and for development of field-scale simulations of geochemical processes and contaminant transport.
Phast4Windows: a 3D graphical user interface for the reactive-transport simulator PHAST.
Charlton, Scott R; Parkhurst, David L
2013-01-01
Phast4Windows is a Windows® program for developing and running groundwater-flow and reactive-transport models with the PHAST simulator. This graphical user interface allows definition of grid-independent spatial distributions of model properties-the porous media properties, the initial head and chemistry conditions, boundary conditions, and locations of wells, rivers, drains, and accounting zones-and other parameters necessary for a simulation. Spatial data can be defined without reference to a grid by drawing, by point-by-point definitions, or by importing files, including ArcInfo® shape and raster files. All definitions can be inspected, edited, deleted, moved, copied, and switched from hidden to visible through the data tree of the interface. Model features are visualized in the main panel of the interface, so that it is possible to zoom, pan, and rotate features in three dimensions (3D). PHAST simulates single phase, constant density, saturated groundwater flow under confined or unconfined conditions. Reactions among multiple solutes include mineral equilibria, cation exchange, surface complexation, solid solutions, and general kinetic reactions. The interface can be used to develop and run simple or complex models, and is ideal for use in the classroom, for analysis of laboratory column experiments, and for development of field-scale simulations of geochemical processes and contaminant transport. Published 2012. This article is a U.S. Government work and is in the public domain in the USA.
FINAL REPORT:Observation and Simulations of Transport of Molecules and Ions Across Model Membranes
Energy Technology Data Exchange (ETDEWEB)
MURAD, SOHAIL [University of Illinois at Chicago; JAMESON, CYNTHIA J [University of Illinois at Chicago
2013-10-22
During the this new grant we developed a robust methodology for investigating a wide range of properties of phospho-lipid bilayers. The approach developed is unique because despite using periodic boundary conditions, we can simulate an entire experiment or process in detail. For example, we can follow the entire permeation process in a lipid-membrane. This includes transport from the bulk aqueous phase to the lipid surface; permeation into the lipid; transport inside the lipid; and transport out of the lipid to the bulk aqueous phase again. We studied the transport of small gases in both the lipid itself and in model protein channels. In addition, we have examined the transport of nanocrystals through the lipid membrane, with the main goal of understanding the mechanical behavior of lipids under stress including water and ion leakage and lipid flip flop. Finally we have also examined in detail the deformation of lipids when under the influence of external fields, both mechanical and electrostatic (currently in progress). The important observations and conclusions from our studies are described in the main text of the report
Directory of Open Access Journals (Sweden)
M. Righi
2013-10-01
Full Text Available We use the EMAC (ECHAM/MESSy Atmospheric Chemistry global model with the aerosol module MADE (Modal Aerosol Dynamics model for Europe, adapted for global applications to quantify the impact of transport emissions (land transport, shipping and aviation on the global aerosol. We consider a present-day (2000 scenario according to the CMIP5 (Climate Model Intercomparison Project Phase 5 emission data set developed in support of the IPCC (Intergovernmental Panel on Climate Change Fifth Assessment Report. The model takes into account particle mass and number emissions: The latter are derived from mass emissions under different assumptions on the size distribution of particles emitted by the three transport sectors. Additional sensitivity experiments are performed to quantify the effects of the uncertainties behind such assumptions. The model simulations show that the impact of the transport sectors closely matches the emission patterns. Land transport is the most important source of black carbon (BC pollution in the USA, Europe and the Arabian Peninsula, contributing up to 60–70% of the total surface-level BC concentration in these regions. Shipping contributes about 40–60% of the total aerosol sulfate surface-level concentration along the most-traveled routes of the northern Atlantic and northern Pacific oceans, with a significant impact (~ 10–20% along the coastlines. Aviation mostly affects aerosol number, contributing about 30–40% of the particle number concentration in the northern midlatitudes' upper troposphere (7–12 km, although significant effects are also simulated at the ground, due to the emissions from landing and take-off cycles. The transport-induced perturbations to the particle number concentrations are very sensitive to the assumptions on the size distribution of emitted particles, with the largest uncertainties (about one order of magnitude obtained for the land transport sector. The simulated climate impacts, due to
Method of transport simulation for electrons between 10eV and 30keV
International Nuclear Information System (INIS)
Terrissol, Michel.
1978-01-01
A transport simulation of low energy electrons in matter using a Monte-Carlo method and studying all the interactions of the electrons with atoms, molecules or assembly of them is described. Elastic scattering, ionization, excitation, plasmon creation, reorganization following inner-shell ionization, electron-hole pair creation ... are simulated individually by sampling of confirmed experimental or theoretical cross sections. So atomic and molecular gases, metals such as aluminium and liquid water have been studied. The simulation allows to follow the electrons until their energy reaches the atomic or molecular ionization potential of the irradiated matter. The entire trajectories of primary electron and of all secondaries set in motion are exactly reproduced. Several applications to multiple scattering, radiobiology, microdosimetry, electronic microscope are represented and some results are directly compared with experimental ones [fr
Particle-in-cell simulations of anomalous transport in a Penning discharge
Carlsson, Johan; Kaganovich, Igor; Powis, Andrew; Raitses, Yevgeny; Romadanov, Ivan; Smolyakov, Andrei
2018-06-01
Electrostatic particle-in-cell simulations of a Penning discharge are performed in order to investigate azimuthally asymmetric, spoke-like structures previously observed in experiments. Two-dimensional simulations show that for Penning-discharge conditions, a persistent nonlinear spoke-like structure forms readily and rotates in the direction of E × B and electron diamagnetic drifts. The azimuthal velocity is within about a factor of 2 of the ion acoustic speed. The spoke frequency follows the experimentally observed scaling with ion mass, which indicates the importance of ion inertia in spoke formation. The spoke provides enhanced (anomalous) radial electron transport, and the effective cross-field conductivity is several times larger than the classical (collisional) value. The level of anomalous current obtained in the simulations is in good agreement with the experimental data. The rotating spoke channels most of the radial current, observable by an edge probe as short pulses.
Interfacing MCNPX and McStas for simulation of neutron transport
DEFF Research Database (Denmark)
Klinkby, Esben Bryndt; Lauritzen, Bent; Nonbøl, Erik
2013-01-01
Stas[4, 5, 6, 7]. The coupling between the two simulation suites typically consists of providing analytical fits of MCNPX neutron spectra to McStas. This method is generally successful but has limitations, as it e.g. does not allow for re-entry of neutrons into the MCNPX regime. Previous work to resolve......Simulations of target-moderator-reflector system at spallation sources are conventionally carried out using Monte Carlo codes such as MCNPX[1] or FLUKA[2, 3] whereas simulations of neutron transport from the moderator and the instrument response are performed by neutron ray tracing codes such as Mc...... geometries, backgrounds, interference between beam-lines as well as shielding requirements along the neutron guides....
Data decomposition of Monte Carlo particle transport simulations via tally servers
International Nuclear Information System (INIS)
Romano, Paul K.; Siegel, Andrew R.; Forget, Benoit; Smith, Kord
2013-01-01
An algorithm for decomposing large tally data in Monte Carlo particle transport simulations is developed, analyzed, and implemented in a continuous-energy Monte Carlo code, OpenMC. The algorithm is based on a non-overlapping decomposition of compute nodes into tracking processors and tally servers. The former are used to simulate the movement of particles through the domain while the latter continuously receive and update tally data. A performance model for this approach is developed, suggesting that, for a range of parameters relevant to LWR analysis, the tally server algorithm should perform with minimal overhead on contemporary supercomputers. An implementation of the algorithm in OpenMC is then tested on the Intrepid and Titan supercomputers, supporting the key predictions of the model over a wide range of parameters. We thus conclude that the tally server algorithm is a successful approach to circumventing classical on-node memory constraints en route to unprecedentedly detailed Monte Carlo reactor simulations
International Nuclear Information System (INIS)
Chattaraj, D.; Dash, Smruti
2013-01-01
The thermal conductivity and coefficient of shear viscosity of molten sodium fluoride were calculated using Green-Kubo equilibrium molecular dynamics (EMD) simulation. The Green-Kubo method is an equilibrium technique based on the fluctuation-dissipation theorem of statistical thermodynamics. The canonical ensemble (N, V, T) was used in the MD simulation to obtain the transport properties of molten NaF. In this simulation, several state points were investigated using the Born-Meyer-Huggins-Tosi-Fumi interionic potential model. The electrostatic interactions present in this ionic fluid were calculated through the Ewald method. The results obtained in this study were found to be in good agreement with the reported experimental data. (author)
Simulation of the Intercontinental Transport, Aging, and Removal of a Boreal Fire Smoke Plume
Ghan, S. J.; Chapman, E. G.; Easter, R. C.; Reid, J. S.; Justice, C.
2003-12-01
Back trajectories suggest that an elevated absorbing aerosol plume observed over Oklahoma in May 2003 can be traced to intense forest fires in Siberia two weeks earlier. The Fire Locating and Modeling of Burning Emissions (FLAMBE) product is used to estimate smoke emissions from those fires. The Model for Integrated Research on Atmospheric Model Exchanges (MIRAGE) is used to simulate the transport, aging, radiative properties, and removal of the aerosol. The simulated aerosol optical depth is compared with satellite retrievals, and the vertical structure of the plume is compared with in situ measurements. Sensitivity experiments are performed to determine the sensitivity of the simulated plume to uncertainty in the emissions vertical profile, mass flux, size distribution, and composition.
International Nuclear Information System (INIS)
Mo Zeyao
2004-11-01
Multiphysics parallel numerical simulations are usually essential to simplify researches on complex physical phenomena in which several physics are tightly coupled. It is very important on how to concatenate those coupled physics for fully scalable parallel simulation. Meanwhile, three objectives should be balanced, the first is efficient data transfer among simulations, the second and the third are efficient parallel executions and simultaneously developments of those simulation codes. Two concatenating algorithms for multiphysics parallel numerical simulations coupling radiation hydrodynamics with neutron transport on unstructured grid are presented. The first algorithm, Fully Loosely Concatenation (FLC), focuses on the independence of code development and the independence running with optimal performance of code. The second algorithm. Two Level Tightly Concatenation (TLTC), focuses on the optimal tradeoffs among above three objectives. Theoretical analyses for communicational complexity and parallel numerical experiments on hundreds of processors on two parallel machines have showed that these two algorithms are efficient and can be generalized to other multiphysics parallel numerical simulations. In especial, algorithm TLTC is linearly scalable and has achieved the optimal parallel performance. (authors)
Theory and computer simulation of structure, transport, and flow of fluid in micropores
International Nuclear Information System (INIS)
Davis, H.T.; Bitsanis, I.; Vanderlick, T.K.; Tirrell, M.V.
1987-01-01
An overview is given of recent progress made in our laboratory on this topic. The density profiles of fluid in micropores are found by solving numerically an approximate Yvon-Born-Green equation. A related local average density model (LADM) allows prediction of transport and flow in inhomogeneous fluids from density profiles. A rigorous extension of the Enskog theory of transport is also outlined. Simple results of this general approach for the tracer diffusion and Couette flow between planar micropore walls are presented. Equilibrium and flow (molecular dynamics) simulations are compared with the theoretical predictions. Simulated density profiles of the micropore fluid exhibit substantial fluid layering. The number and sharpness of fluid layers depend sensitively on the pore width. The solvation force and the pore average density and diffusivity are oscillating functions of the pore width. The theoretical predictions for these quantities agree qualitatively with the simulation results. The flow simulations indicate that the flow does not affect the fluid structure and diffusivity even at extremely high shear rates (10/sup 10/s/sup -1/). The fluid structure induces large deviations of the shear stress and the effective viscosity from the bulk fluid values. The flow velocity profiles are correlated with the density profiles and differ from those of a bulk fluid. The LADM and extended Enskog theory predictions for the velocity profiles and the pore average diffusivity agree very well with each other and with the simulation results. The LADM predictions for the shear stress and the effective viscosity agrees fairly well with the simulation results
International Nuclear Information System (INIS)
Nigrey, P.J.; Dickens, T.G.
1997-01-01
Based on regulatory requirements for Type A and B radioactive material packaging, a Testing Program was developed to evaluate the effects of mixed wastes on plastic materials which could be used as liners and seals in transportation containers. The plastics evaluated in this program were butadiene-acrylonitrile copolymer (Nitrile rubber), cross-linked polyethylene, epichlorohydrin, ethylene-propylene rubber (EPDM), fluorocarbons, high-density polyethylene (HDPE), butyl rubber, polypropylene, polytetrafluoroethylene, and styrene-butadiene rubber (SBR). These plastics were first screened in four simulant mixed wastes. The liner materials were screened using specific gravity measurements and seal materials by vapor transport rate (VTR) measurements. For the screening of liner materials, Kel-F, HDPE, and XLPE were found to offer the greatest resistance to the combination of radiation and chemicals. The tests also indicated that while all seal materials passed exposure to the aqueous simulant mixed waste, EPDM and SBR had the lowest VTRs. In the chlorinated hydrocarbon simulant mixed waste, only Viton passed the screening tests. In both the simulant scintillation fluid mixed waste and the ketone mixture waste, none of the seal materials met the screening criteria. Those materials which passed the screening tests were subjected to further comprehensive testing in each of the simulant wastes. The materials were exposed to four different radiation doses followed by exposure to a simulant mixed waste at three temperatures and four different exposure times (7, 14, 28, 180 days). Materials were tested by measuring specific gravity, dimensional, hardness, stress cracking, VTR, compression set, and tensile properties. The second phase of this Testing Program involving the comprehensive testing of plastic liner has been completed and for seal materials is currently in progress
International Nuclear Information System (INIS)
Orozco, Gustavo A.; Nieto-Draghi, Carlos; Lachet, Veronique; Mackie, Allan D.
2014-01-01
Using molecular simulation techniques such as Monte Carlo (MC) and molecular dynamics (MD), we present several simulation results of thermodynamic and transport properties for primary, secondary and tertiary amines. These calculations are based on a recently proposed force field for amines that follows the Anisotropic United Atom approach (AUA). Different amine molecules have been studied, including n-Butylamine, di-n-Butylamine, tri-n-Butylamine and 1,4-Butanediamine for primary, secondary, tertiary and multi-functional amines respectively. For the transport properties, we have calculated the viscosity coefficients as a function of temperature using the isothermal-isobaric (NPT) ensemble. In the case of the pure components, we have investigated different thermodynamic properties using NVT Gibbs ensemble simulations such as liquid-vapor phase equilibrium diagrams, vaporization enthalpies, vapor pressures, normal boiling points, critical temperatures and critical densities. We have also calculated the excess enthalpies for water-n-Butylamine and n-heptane-n-Butylamine mixtures using Monte Carlo simulations in the NPT ensemble. In addition, we present the calculation of liquid-vapor surface tensions of n-Butylamine using a two-phase NVT simulation as well as the radial distribution functions. Finally, we have investigated the physical Henry constants of nitrous oxide (N 2 O) and nitrogen (N 2 ) in an aqueous solutions of n-Butylamine. In general, we found a good agreement between the available experimental information and our simulation results for all the studied properties, ratifying the predictive capability of the AUA force field for amines. (authors)
Vadose Zone Fate and Transport Simulation of Chemicals Associated with Coal Seam Gas Extraction
Simunek, J.; Mallants, D.; Jacques, D.; Van Genuchten, M.
2017-12-01
The HYDRUS-1D and HYDRUS (2D/3D) computer software packages are widely used finite element models for simulating the one-, and two- or three-dimensional movement of water, heat, and multiple solutes in variably-saturated media, respectively. While the standard HYDRUS models consider only the fate and transport of individual solutes or solutes subject to first-order degradation reactions, several specialized HYDRUS add-on modules can simulate far more complex biogeochemical processes. The objective of this presentation is to provide an overview of the HYDRUS models and their add-on modules, and to demonstrate applications of the software to the subsurface fate and transport of chemicals involved in coal seam gas extraction and water management operations. One application uses the standard HYDRUS model to evaluate the natural soil attenuation potential of hydraulic fracturing chemicals and their transformation products in case of an accidental release. By coupling the processes of retardation, first-order degradation and convective-dispersive transport of the biocide bronopol and its degradation products, we demonstrated how natural attenuation reduces initial concentrations by more than a factor of hundred in the top 5 cm of the vadose zone. A second application uses the UnsatChem module to explore the possible use of coal seam gas produced water for sustainable irrigation. Simulations with different irrigation waters (untreated, amended with surface water, and reverse osmosis treated) provided detailed results regarding chemical indicators of soil and plant health, notably SAR, EC and sodium concentrations. A third application uses the coupled HYDRUS-PHREEQC module to analyze trace metal transport involving cation exchange and surface complexation sorption reactions in the vadose zone leached with coal seam gas produced water following some accidental water release scenario. Results show that the main process responsible for trace metal migration is complexation of
International Nuclear Information System (INIS)
Washburn, J.F.; Kaszeta, F.E.; Simmons, C.S.; Cole, C.R.
1980-07-01
This report presents the results of the development of a one-dimensional radionuclide transport code, MMT2D (Multicomponent Mass Transport), for the AEGIS Program. Multicomponent Mass Transport is a numerical solution technique that uses the discrete-parcel-random-wald (DPRW) method to directly simulate the migration of radionuclides. MMT1D accounts for: convection;dispersion; sorption-desorption; first-order radioactive decay; and n-membered radioactive decay chains. Comparisons between MMT1D and an analytical solution for a similar problem show that: MMT1D agrees very closely with the analytical solution; MMT1D has no cumulative numerical dispersion like that associated with solution techniques such as finite differences and finite elements; for current AEGIS applications, relatively few parcels are required to produce adequate results; and the power of MMT1D is the flexibility of the code in being able to handle complex problems for which analytical solution cannot be obtained. Multicomponent Mass Transport (MMT1D) codes were developed at Pacific Northwest Laboratory to predict the movement of radiocontaminants in the saturated and unsaturated sediments of the Hanford Site. All MMT models require ground-water flow patterns that have been previously generated by a hydrologic model. This report documents the computer code and operating procedures of a third generation of the MMT series: the MMT differs from previous versions by simulating the mass transport processes in systems with radionuclide decay chains. Although MMT is a one-dimensional code, the user is referred to the documentation of the theoretical and numerical procedures of the three-dimensional MMT-DPRW code for discussion of expediency, verification, and error-sensitivity analysis
Simulation of organ patterning on the floral meristem using a polar auxin transport model.
Directory of Open Access Journals (Sweden)
Simon van Mourik
Full Text Available An intriguing phenomenon in plant development is the timing and positioning of lateral organ initiation, which is a fundamental aspect of plant architecture. Although important progress has been made in elucidating the role of auxin transport in the vegetative shoot to explain the phyllotaxis of leaf formation in a spiral fashion, a model study of the role of auxin transport in whorled organ patterning in the expanding floral meristem is not available yet. We present an initial simulation approach to study the mechanisms that are expected to play an important role. Starting point is a confocal imaging study of Arabidopsis floral meristems at consecutive time points during flower development. These images reveal auxin accumulation patterns at the positions of the organs, which strongly suggests that the role of auxin in the floral meristem is similar to the role it plays in the shoot apical meristem. This is the basis for a simulation study of auxin transport through a growing floral meristem, which may answer the question whether auxin transport can in itself be responsible for the typical whorled floral pattern. We combined a cellular growth model for the meristem with a polar auxin transport model. The model predicts that sepals are initiated by auxin maxima arising early during meristem outgrowth. These form a pre-pattern relative to which a series of smaller auxin maxima are positioned, which partially overlap with the anlagen of petals, stamens, and carpels. We adjusted the model parameters corresponding to properties of floral mutants and found that the model predictions agree with the observed mutant patterns. The predicted timing of the primordia outgrowth and the timing and positioning of the sepal primordia show remarkable similarities with a developing flower in nature.
International Nuclear Information System (INIS)
Jewer, S.; Buchan, A.G.; Pain, C.C.; Cacuci, D.G.
2014-01-01
Highlights: • A new method of coupled radiation transport, heat and momentum exchanges on fluids, and heat transfer simulations. • Simulation of the thermal hydraulics and radiative properties within whole PWR assemblies. • An immersed body method for modelling complex solid domains on practical computational meshes. - Abstract: A recently developed immersed body method is adapted and used to model a typical pressurised water reactor (PWR) fuel assembly. The approach is implemented with the numerical framework of the finite element, transient criticality code, FETCH which is composed of the neutron transport code, EVENT, and the CFD code, FLUIDITY. Within this framework the neutron transport equation, Navier–Stokes equations and a fluid energy conservation equation are solved in a coupled manner on a coincident structured or unstructured mesh. The immersed body method has been used to model the solid fuel pins. The key feature of this method is that the fluid/neutronic domain and the solid domain are represented by overlapping and non-conforming meshes. The main difficulty of this approach, for which a solution is proposed in this work, is the conservative mapping of the energy and momentum exchange between the fluid/neutronic mesh and the solid fuel pin mesh. Three numerical examples are presented which include a validation of the fuel pin submodel against an analytical solution; an uncoupled (no neutron transport solution) PWR fuel assembly model with a specified power distribution which was validated against the COBRA-EN subchannel analysis code; and finally a coupled model of a PWR fuel assembly with reflective neutron boundary conditions. Coupling between the fluid and neutron transport solutions is through the nuclear cross sections dependence on Doppler fuel temperature, coolant density and temperature, which was taken into account by using pre-calculated cross-section lookup tables generated using WIMS9a. The method was found to show good agreement
Energy Technology Data Exchange (ETDEWEB)
Flores O, F.E.; Mireles G, F.; Davila R, J.I.; Pinedo V, J.L.; Risorios M, C.; Lopez del Rio, H. [UAZ, Unidad Academica de Estudios Nucleares, 98068 Zacatecas (Mexico)
2008-07-01
The MCNP code is used to simulate the radiation transport taking as tools the transport physics of each particle, either photon, neutron or electron, and the generation of random numbers. Developed in the Los Alamos National Laboratory, this code has been used thoroughly with great success, because the results of the simulations are broadly validated with representative experiments. In the one present work the room of radiotherapy of the Institute Zacatecano of the Tumor it is simulated, located in the city of Zacatecas where one is Theratron 780C machine manufactured by MSD Nordion, with the purpose of estimating the contribution to the dose that would be received in different points of the structure, included three directly under the source. Three results of analytical calculations for points located at different distances from the source are presented, and they are compared against those obtained by the simulation. Its are also presented results for the simulation of 10 points more distributed around the source. (Author)
Comparison of heavy-ion transport simulations: Collision integral in a box
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
Wei, Xiaohui; Li, Weishan; Tian, Hailong; Li, Hongliang; Xu, Haixiao; Xu, Tianfu
2015-07-01
The numerical simulation of multiphase flow and reactive transport in the porous media on complex subsurface problem is a computationally intensive application. To meet the increasingly computational requirements, this paper presents a parallel computing method and architecture. Derived from TOUGHREACT that is a well-established code for simulating subsurface multi-phase flow and reactive transport problems, we developed a high performance computing THC-MP based on massive parallel computer, which extends greatly on the computational capability for the original code. The domain decomposition method was applied to the coupled numerical computing procedure in the THC-MP. We designed the distributed data structure, implemented the data initialization and exchange between the computing nodes and the core solving module using the hybrid parallel iterative and direct solver. Numerical accuracy of the THC-MP was verified through a CO2 injection-induced reactive transport problem by comparing the results obtained from the parallel computing and sequential computing (original code). Execution efficiency and code scalability were examined through field scale carbon sequestration applications on the multicore cluster. The results demonstrate successfully the enhanced performance using the THC-MP on parallel computing facilities.
MONTE CARLO SIMULATION MODEL OF ENERGETIC PROTON TRANSPORT THROUGH SELF-GENERATED ALFVEN WAVES
Energy Technology Data Exchange (ETDEWEB)
Afanasiev, A.; Vainio, R., E-mail: alexandr.afanasiev@helsinki.fi [Department of Physics, University of Helsinki (Finland)
2013-08-15
A new Monte Carlo simulation model for the transport of energetic protons through self-generated Alfven waves is presented. The key point of the model is that, unlike the previous ones, it employs the full form (i.e., includes the dependence on the pitch-angle cosine) of the resonance condition governing the scattering of particles off Alfven waves-the process that approximates the wave-particle interactions in the framework of quasilinear theory. This allows us to model the wave-particle interactions in weak turbulence more adequately, in particular, to implement anisotropic particle scattering instead of isotropic scattering, which the previous Monte Carlo models were based on. The developed model is applied to study the transport of flare-accelerated protons in an open magnetic flux tube. Simulation results for the transport of monoenergetic protons through the spectrum of Alfven waves reveal that the anisotropic scattering leads to spatially more distributed wave growth than isotropic scattering. This result can have important implications for diffusive shock acceleration, e.g., affect the scattering mean free path of the accelerated particles in and the size of the foreshock region.
International Nuclear Information System (INIS)
Tan, Xianhua; Zhu, Yiying; Shi, Tielin; Tang, Zirong; Liao, Guanglan
2016-01-01
We demonstrate spontaneous droplet transportation and water collection on wedge-shaped gradient surfaces consisting of alternating hydrophilic and hydrophobic regions. Droplets on the surfaces are modeled and simulated to analyze the Gibbs free energy and free energy gradient distributions. Big half-apex angle and great wettability difference result in considerable free energy gradient, corresponding to large driving force for spontaneous droplet transportation, thus causing the droplets to move towards the open end of the wedge-shaped hydrophilic regions, where the Gibbs free energy is low. Gradient surfaces are then fabricated and tested. Filmwise condensation begins on the hydrophilic regions, forming wedge-shaped tracks for water collection. Dropwise condensation occurs on the hydrophobic regions, where the droplet size distribution and departure diameters are controlled by the width of the regions. Condensate water from both the hydrophilic and hydrophobic regions are collected directionally to the open end of the wedge-shaped hydrophilic regions, agreeing with the simulations. Directional droplet transport and controllable departure diameters make the branched gradient surfaces more efficient than smooth surfaces for water collection, which proves that gradient surfaces are potential in water collection, microfluidic devices, anti-fogging and self-cleaning. (paper)
El-Amin, Mohamed
2012-09-03
Geological storage of anthropogenic CO2 emissions in deep saline aquifers has recently received tremendous attention in the scientific literature. Injected CO2 plume buoyantly accumulates at the top part of the deep aquifer under a sealing cap rock, and some concern that the high-pressure CO2 could breach the seal rock. However, CO2 will diffuse into the brine underneath and generate a slightly denser fluid that may induce instability and convective mixing. Onset times of instability and convective mixing performance depend on the physical properties of the rock and fluids, such as permeability and density contrast. The novel idea is to adding nanoparticles to the injected CO2 to increase density contrast between the CO2-rich brine and the underlying resident brine and, consequently, decrease onset time of instability and increase convective mixing. As far as it goes, only few works address the issues related to mathematical and numerical modeling aspects of the nanoparticles transport phenomena in CO2 storages. In the current work, we will present mathematical models to describe the nanoparticles transport carried by injected CO2 in porous media. Buoyancy and capillary forces as well as Brownian diffusion are important to be considered in the model. IMplicit Pressure Explicit Saturation-Concentration (IMPESC) scheme is used and a numerical simulator is developed to simulate the nanoparticles transport in CO2 storages.
Liu, Zhongqiu; Li, Linmin; Li, Baokuan; Jiang, Maofa
2014-07-01
The current study developed a coupled computational model to simulate the transient fluid flow, solidification, and particle transport processes in a slab continuous-casting mold. Transient flow of molten steel in the mold is calculated using the large eddy simulation. An enthalpy-porosity approach is used for the analysis of solidification processes. The transport of bubble and non-metallic inclusion inside the liquid pool is calculated using the Lagrangian approach based on the transient flow field. A criterion of particle entrapment in the solidified shell is developed using the user-defined functions of FLUENT software (ANSYS, Inc., Canonsburg, PA). The predicted results of this model are compared with the measurements of the ultrasonic testing of the rolled steel plates and the water model experiments. The transient asymmetrical flow pattern inside the liquid pool exhibits quite satisfactory agreement with the corresponding measurements. The predicted complex instantaneous velocity field is composed of various small recirculation zones and multiple vortices. The transport of particles inside the liquid pool and the entrapment of particles in the solidified shell are not symmetric. The Magnus force can reduce the entrapment ratio of particles in the solidified shell, especially for smaller particles, but the effect is not obvious. The Marangoni force can play an important role in controlling the motion of particles, which increases the entrapment ratio of particles in the solidified shell obviously.
Foucart, Francois
2018-04-01
General relativistic radiation hydrodynamic simulations are necessary to accurately model a number of astrophysical systems involving black holes and neutron stars. Photon transport plays a crucial role in radiatively dominated accretion discs, while neutrino transport is critical to core-collapse supernovae and to the modelling of electromagnetic transients and nucleosynthesis in neutron star mergers. However, evolving the full Boltzmann equations of radiative transport is extremely expensive. Here, we describe the implementation in the general relativistic SPEC code of a cheaper radiation hydrodynamic method that theoretically converges to a solution of Boltzmann's equation in the limit of infinite numerical resources. The algorithm is based on a grey two-moment scheme, in which we evolve the energy density and momentum density of the radiation. Two-moment schemes require a closure that fills in missing information about the energy spectrum and higher order moments of the radiation. Instead of the approximate analytical closure currently used in core-collapse and merger simulations, we complement the two-moment scheme with a low-accuracy Monte Carlo evolution. The Monte Carlo results can provide any or all of the missing information in the evolution of the moments, as desired by the user. As a first test of our methods, we study a set of idealized problems demonstrating that our algorithm performs significantly better than existing analytical closures. We also discuss the current limitations of our method, in particular open questions regarding the stability of the fully coupled scheme.
Computational simulation of water transport in PEM fuel cells using an improved membrane model
International Nuclear Information System (INIS)
Cao, J.; Djilali, N.
2000-01-01
Computational models and simulation tools can provide valuable insight and guidance for design, performance optimization, and cost reduction of fuel cells. In proton-exchange membrane fuel cells it is particularly important to maintain appropriate water content and temperature in the electrolyte membrane. In this paper we describe a mathematical model for the membrane that takes into account the diffusion of water, the pressure variation, and the electro-osmotic drag in the membrane. Applying conservation laws for water and current and using an empirical relationship between electro-osmotic drag and water content, we obtain a transport equation for water molar concentration and derive a new equation for the electric potential that accounts for variable water content and is more accurate than the conventionally employed Laplace's equation does. The model is coupled with a computational fluid dynamics model for diffusive transport in the electrodes and convective transport in the reactant flow channels. Simulations for a two-dimensional cell are performed over nominal current densities ranging form i=0.1 A/cm≅ to 1.2 A/cm≅. The impact and importance of temperature and pressure non-uniformity, and of two-dimensionality are assessed and discussed. (author)
Simulation analysis of dust-particle transport in the peripheral plasma in the Large Helical Device
International Nuclear Information System (INIS)
Shoji, Mamoru; Masuzaki, Suguru; Kawamura, Gakushi; Yamada, Hiroshi; Tanaka, Yasunori; Uesugi, Yoshihiko; Pigarov, Alexander Yu.; Smirnov, Roman D.
2014-01-01
The function of the peripheral plasma in the Large Helical Device (LHD) on transport of dusts is investigated using a dust transport simulation code (DUSTT) in a non-axisymmetric geometry. The simulation shows that the transport of the dusts is dominated by the plasma flow (mainly by ion drag force) formed in the peripheral plasma. The trajectories of dusts are investigated in two probable situations: release of spherical iron dusts from the inboard side of the torus, and drop of spherical carbon dusts from a divertor plate installed near an edge of an upper port. The trajectories in these two situations are calculated in various sized dust cases. From a viewpoint of protection of the main plasma from dust penetration, it proves that there are two functions in the LHD peripheral plasma. One is sweeping of dusts by the effect of the plasma flow in the divertor legs, and another one is evaporation/sublimation of dusts by heat load onto the dusts in the ergodic layer. (author)
Parkhurst, David L.; Kipp, Kenneth L.; Charlton, Scott R.
2010-01-01
The computer program PHAST (PHREEQC And HST3D) simulates multicomponent, reactive solute transport in three-dimensional saturated groundwater flow systems. PHAST is a versatile groundwater flow and solute-transport simulator with capabilities to model a wide range of equilibrium and kinetic geochemical reactions. The flow and transport calculations are based on a modified version of HST3D that is restricted to constant fluid density and constant temperature. The geochemical reactions are simulated with the geochemical model PHREEQC, which is embedded in PHAST. Major enhancements in PHAST Version 2 allow spatial data to be defined in a combination of map and grid coordinate systems, independent of a specific model grid (without node-by-node input). At run time, aquifer properties are interpolated from the spatial data to the model grid; regridding requires only redefinition of the grid without modification of the spatial data. PHAST is applicable to the study of natural and contaminated groundwater systems at a variety of scales ranging from laboratory experiments to local and regional field scales. PHAST can be used in studies of migration of nutrients, inorganic and organic contaminants, and radionuclides; in projects such as aquifer storage and recovery or engineered remediation; and in investigations of the natural rock/water interactions in aquifers. PHAST is not appropriate for unsaturated-zone flow, multiphase flow, or density-dependent flow. A variety of boundary conditions are available in PHAST to simulate flow and transport, including specified-head, flux (specified-flux), and leaky (head-dependent) conditions, as well as the special cases of rivers, drains, and wells. Chemical reactions in PHAST include (1) homogeneous equilibria using an ion-association or Pitzer specific interaction thermodynamic model; (2) heterogeneous equilibria between the aqueous solution and minerals, ion exchange sites, surface complexation sites, solid solutions, and gases; and
Efendiev, Yalchin R.; Iliev, Oleg; Kronsbein, C.
2013-01-01
In this paper, we propose multilevel Monte Carlo (MLMC) methods that use ensemble level mixed multiscale methods in the simulations of multiphase flow and transport. The contribution of this paper is twofold: (1) a design of ensemble level mixed
Ott, Lesley E.; Pickering, Kenneth E.; Stenchikov, Georgiy L.; Allen, Dale J.; DeCaria, Alex J.; Ridley, Brian; Lin, Ruei-Fong; Lang, Stephen; Tao, Wei-Kuo
2010-01-01
A three-dimensional (3-D) cloud-scale chemical transport model that includes a parameterized source of lightning NOx on the basis of observed flash rates has been used to simulate six midlatitude and subtropical thunderstorms observed during four
Fluid simulations of ∇Te-driven turbulence and transport in boundary plasmas
International Nuclear Information System (INIS)
Xu, X.Q.
1992-01-01
It is clear that the edge plasma plays a crucial role in global tokamak confinement. This paper is a report on simulations of a new drift wave type instability driven by the electron temperature gradient in tokamak scrapeoff-layers (SOL). A 2d fluid code has been developed in order to explore the anomalous transport in the boundary plasmas. The simulation consists of a set of fluid equations for the vorticity ∇ perpendicular 2 φ, the electron density n c and the temperature T c in a shearless plasma slab confined by a uniform, straight magnetic field B z with two divertor (or limiter) plates intercepting the magnetic field. The model has two regions separated by a magnetic separatrix: in the edge region inside the separatrix, the model is periodic along the magnetic field while in the SOL region outside the separatrix, the magnetic field is taken to be of finite length with model boundary conditions at diverter plates. The simulation results show that the observed linear instability agrees well with theory, and that a saturated state of turbulence is reached. In saturated turbulence, clear evidence of the expected long-wavelength mode penetration into the edge is seen, an inverse cascade of wave energy is observed. The simulation results also show that amplitudes of potential and the electron temperature fluctuations are somewhat above and the heat flux are somewhat below those of the simplest mixing-length estimates, and furthermore the large-scale radial structures of fluctuation quantities indicate that the cross-field transport is not diffusive. After saturation, the electron density and temperature profiles are flattened. A self-consistent simulation to determine the microturbulent SOL electron temperature profile has been done, the results of which reasonably agree with the experimental measurements
Simulation of decay processes and radiation transport times in radioactivity measurements
Energy Technology Data Exchange (ETDEWEB)
García-Toraño, E., E-mail: e.garciatorano@ciemat.es [Laboratorio de Metrología de Radiaciones Ionizantes, CIEMAT, Avda. Complutense 22, 28040 Madrid (Spain); Peyres, V. [Laboratorio de Metrología de Radiaciones Ionizantes, CIEMAT, Avda. Complutense 22, 28040 Madrid (Spain); Bé, M.-M.; Dulieu, C.; Lépy, M.-C. [CEA, LIST, Laboratoire National Henri Becquerel (LNE-LNHB), Bldg 602, PC111, 91191 Gif-sur-Yvette Cedex (France); Salvat, F. [Facultat de Física (FQA and ICC), Universitat de Barcelona, Diagonal 647, 08028 Barcelona (Spain)
2017-04-01
The Fortran subroutine package PENNUC, which simulates random decay pathways of radioactive nuclides, is described. The decay scheme of the active nuclide is obtained from the NUCLEIDE database, whose web application has been complemented with the option of exporting nuclear decay data (possible nuclear transitions, branching ratios, type and energy of emitted particles) in a format that is readable by the simulation subroutines. In the case of beta emitters, the initial energy of the electron or positron is sampled from the theoretical Fermi spectrum. De-excitation of the atomic electron cloud following electron capture and internal conversion is described using transition probabilities from the LLNL Evaluated Atomic Data Library and empirical or calculated energies of released X rays and Auger electrons. The time evolution of radiation showers is determined by considering the lifetimes of nuclear and atomic levels, as well as radiation propagation times. Although PENNUC is designed to operate independently, here it is used in conjunction with the electron-photon transport code PENELOPE, and both together allow the simulation of experiments with radioactive sources in complex material structures consisting of homogeneous bodies limited by quadric surfaces. The reliability of these simulation tools is demonstrated through comparisons of simulated and measured energy spectra from radionuclides with complex multi-gamma spectra, nuclides with metastable levels in their decay pathways, nuclides with two daughters, and beta plus emitters.
MSTS Multiphase Subsurface Transport Simulator User's Guide and Reference
Energy Technology Data Exchange (ETDEWEB)
Nichols, W.E.; White, M.D.
1993-05-01
This User's Guide and Reference provides information and instructions on the use of the Multiphase Subsurface Transport Simulator (MSTS) code and the associated MSTS Graphical Input. The MSTS code is used to simulate water flow, air flow, heat transfer, and dilute species mass transport in variably saturated geologic media for one, two, or three dimensions using an integrated finite-difference numerical scheme. Any or all of these processes may be simulated in a fully coupled manner. MSTS is a two-phase, two-component code with secondary processes that include binary diffusion and vapor pressure lowering. The geologic media may be homogeneous or heterogeneous, isotropic or anisotropic, and unfractured or highly fractured. A problem geometry may be described by either Cartesian or cylindrical coordinates. MSTS is written in FORTRAN 77, following the American National Standards Institute (ANSI) standards, and is machine-independent with the exception of some time and date calls required for quality control (provisions are made in the code for relatively easy adoption to a number of machines for these calls).
Turbulent transport coefficients in spherical wedge dynamo simulations of solar-like stars
Warnecke, J.; Rheinhardt, M.; Tuomisto, S.; Käpylä, P. J.; Käpylä, M. J.; Brandenburg, A.
2018-01-01
Aims: We investigate dynamo action in global compressible solar-like convective dynamos in the framework of mean-field theory. Methods: We simulate a solar-type star in a wedge-shaped spherical shell, where the interplay between convection and rotation self-consistently drives a large-scale dynamo. To analyze the dynamo mechanism we apply the test-field method for azimuthally (φ) averaged fields to determine the 27 turbulent transport coefficients of the electromotive force, of which six are related to the α tensor. This method has previously been used either in simulations in Cartesian coordinates or in the geodynamo context and is applied here for the first time to fully compressible simulations of solar-like dynamos. Results: We find that the φφ-component of the α tensor does not follow the profile expected from that of kinetic helicity. The turbulent pumping velocities significantly alter the effective mean flows acting on the magnetic field and therefore challenge the flux transport dynamo concept. All coefficients are significantly affected by dynamically important magnetic fields. Quenching as well as enhancement are being observed. This leads to a modulation of the coefficients with the activity cycle. The temporal variations are found to be comparable to the time-averaged values and seem to be responsible for a nonlinear feedback on the magnetic field generation. Furthermore, we quantify the validity of the Parker-Yoshimura rule for the equatorward propagation of the mean magnetic field in the present case.
Numerical Simulation of Plume Transport in Channel Bend with Different Sediment Diameters
Kim, H. S.; Chen, H. C.
2017-12-01
The flow and transport of suspended sediment particles, in the form of plume, were simulated using an in-house Computational Fluid Dynamics (CFD) solver FANS3D (Finite Analytic Navier-Stokes code for 3D flow). The motivation for this investigation is to provide a means to simulate and visualize dispersal systems in a complex flow environment. The physical domain considered is a 90-degrees channel bend with wingwall abutments, which induces complex, three-dimensional flow characteristics. At the inlet of the channel, a sediment plume with the volumetric concentration of 1,000 parts per million (ppm) was constantly supplied. For simplicity, it was assumed that neither deposition nor erosion takes place inside the channel and settling sediment was made to pass through the bed surface. The effect of the sediment particle size was also analyzed using two different median diameters: 0.10 mm and 0.20 mm. It was shown that flow acceleration and vortices cause strong mixing inside the channel. The three-dimensional time series from the simulation captured increasing suspended sediment concentration downstream of the abutments, along the outer bank. When the median diameter was varied, the sediment concentration at certain locations differed by orders of magnitude, indicating that the settling velocity dominates the transport process for larger diameters.
Application of State Quantization-Based Methods in HEP Particle Transport Simulation
Santi, Lucio; Ponieman, Nicolás; Jun, Soon Yung; Genser, Krzysztof; Elvira, Daniel; Castro, Rodrigo
2017-10-01
Simulation of particle-matter interactions in complex geometries is one of the main tasks in high energy physics (HEP) research. An essential aspect of it is an accurate and efficient particle transportation in a non-uniform magnetic field, which includes the handling of volume crossings within a predefined 3D geometry. Quantized State Systems (QSS) is a family of numerical methods that provides attractive features for particle transportation processes, such as dense output (sequences of polynomial segments changing only according to accuracy-driven discrete events) and lightweight detection and handling of volume crossings (based on simple root-finding of polynomial functions). In this work we present a proof-of-concept performance comparison between a QSS-based standalone numerical solver and an application based on the Geant4 simulation toolkit, with its default Runge-Kutta based adaptive step method. In a case study with a charged particle circulating in a vacuum (with interactions with matter turned off), in a uniform magnetic field, and crossing up to 200 volume boundaries twice per turn, simulation results showed speedups of up to 6 times in favor of QSS while it being 10 times slower in the case with zero volume boundaries.
Design and beam transport simulations of a multistage collector for the Israeli EA-FEM
Tecimer, M.; Canter, M.; Efimov, S.; Gover, A.; Sokolowski, J.
2001-12-01
A four stage asymmetric type depressed collector has been designed for the Israeli mm-wave FEM that is driven by a 1.4 MeV, 1.5 A electron beam. After leaving the interaction section the spent beam has an energy spread of 120 keV and 75 π mm mrad normalized beam emittance. Simulations of the beam transport system from the undulator exit through the decelerator tube into the collector have been carried out using EGUN and GPT codes. The latter has also been employed to study trajectories of the primary and scattered particles within the collector, optimizing the asymmetrical collector geometry and the electrode potentials at the presence of a deflecting magnetic field. The estimated overall system and collector efficiencies reach 50% and 70%, respectively, with a beam recovery of 99.6%. The design is aimed to attain millisecond long pulse operation and subsequently 1 kW average power. Simulation results are implemented in a mechanical design that leads to a simple, cost efficient assembly eliminating ceramic insulator rings between collector stages and the associated brazing in the manufacturing process. Instead, each copper plate is supported by insulating posts and freely displaceable within the vacuum chamber. We report on the simulation results of the beam transport and recovery systems and on the mechanical aspects of the multistage collector design.
Design and beam transport simulations of a multistage collector for the Israeli EA-FEM
Energy Technology Data Exchange (ETDEWEB)
Tecimer, M. E-mail: tecimer@post.tau.ac.il; Canter, M.; Efimov, S.; Gover, A.; Sokolowski, J
2001-12-21
A four stage asymmetric type depressed collector has been designed for the Israeli mm-wave FEM that is driven by a 1.4 MeV, 1.5 A electron beam. After leaving the interaction section the spent beam has an energy spread of 120 keV and 75 {pi} mm mrad normalized beam emittance. Simulations of the beam transport system from the undulator exit through the decelerator tube into the collector have been carried out using EGUN and GPT codes. The latter has also been employed to study trajectories of the primary and scattered particles within the collector, optimizing the asymmetrical collector geometry and the electrode potentials at the presence of a deflecting magnetic field. The estimated overall system and collector efficiencies reach 50% and 70%, respectively, with a beam recovery of 99.6%. The design is aimed to attain millisecond long pulse operation and subsequently 1 kW average power. Simulation results are implemented in a mechanical design that leads to a simple, cost efficient assembly eliminating ceramic insulator rings between collector stages and the associated brazing in the manufacturing process. Instead, each copper plate is supported by insulating posts and freely displaceable within the vacuum chamber. We report on the simulation results of the beam transport and recovery systems and on the mechanical aspects of the multistage collector design.
Design and beam transport simulations of a multistage collector for the Israeli EA-FEM
International Nuclear Information System (INIS)
Tecimer, M.; Canter, M.; Efimov, S.; Gover, A.; Sokolowski, J.
2001-01-01
A four stage asymmetric type depressed collector has been designed for the Israeli mm-wave FEM that is driven by a 1.4 MeV, 1.5 A electron beam. After leaving the interaction section the spent beam has an energy spread of 120 keV and 75 π mm mrad normalized beam emittance. Simulations of the beam transport system from the undulator exit through the decelerator tube into the collector have been carried out using EGUN and GPT codes. The latter has also been employed to study trajectories of the primary and scattered particles within the collector, optimizing the asymmetrical collector geometry and the electrode potentials at the presence of a deflecting magnetic field. The estimated overall system and collector efficiencies reach 50% and 70%, respectively, with a beam recovery of 99.6%. The design is aimed to attain millisecond long pulse operation and subsequently 1 kW average power. Simulation results are implemented in a mechanical design that leads to a simple, cost efficient assembly eliminating ceramic insulator rings between collector stages and the associated brazing in the manufacturing process. Instead, each copper plate is supported by insulating posts and freely displaceable within the vacuum chamber. We report on the simulation results of the beam transport and recovery systems and on the mechanical aspects of the multistage collector design
MSTS. Multiphase Subsurface Transport Simulator User`s Guide and Reference
Energy Technology Data Exchange (ETDEWEB)
Nichols, W.E.; White, M.D.
1993-05-01
This User`s Guide and Reference provides information and instructions on the use of the Multiphase Subsurface Transport Simulator (MSTS) code and the associated MSTS Graphical Input. The MSTS code is used to simulate water flow, air flow, heat transfer, and dilute species mass transport in variably saturated geologic media for one, two, or three dimensions using an integrated finite-difference numerical scheme. Any or all of these processes may be simulated in a fully coupled manner. MSTS is a two-phase, two-component code with secondary processes that include binary diffusion and vapor pressure lowering. The geologic media may be homogeneous or heterogeneous, isotropic or anisotropic, and unfractured or highly fractured. A problem geometry may be described by either Cartesian or cylindrical coordinates. MSTS is written in FORTRAN 77, following the American National Standards Institute (ANSI) standards, and is machine-independent with the exception of some time and date calls required for quality control (provisions are made in the code for relatively easy adoption to a number of machines for these calls).
Integrated simulation of ELM energy loss determined by pedestal MHD and SOL transport
International Nuclear Information System (INIS)
Hayashi, N.; Takizuka, T.; Ozeki, T.; Aiba, N.; Oyama, N.
2007-01-01
An integrated simulation code TOPICS-IB based on a transport code with a stability code for the peeling-ballooning modes and a scrape-off-layer (SOL) model has been developed to clarify self-consistent effects of edge localized modes (ELMs) and the SOL on the plasma performance. Experimentally observed collisionality dependence of the ELM energy loss is found to be caused by both the edge bootstrap current and the SOL transport. The bootstrap current decreases with an increase in collisionality and intensifies the magnetic shear at the pedestal region. The increase in the magnetic shear reduces the width of eigenfunctions of unstable modes, which results in the reduction of both the area of the ELM enhanced transport and the ELM enhanced transport near the separatrix. On the other hand, when an ELM crash occurs, the energy flows into the SOL and the SOL temperature rapidly increases. The increase in the SOL temperature lowers the ELM energy loss due to the flattening of the radial edge gradient. The parallel electron heat conduction determines how the SOL temperature increases. For higher collisionality, the conduction becomes lower and the SOL electron temperature increases more. By the above two mechanisms, the ELM energy loss decreases with increasing collisionality
5-D simulation study of suprathermal electron transport in non-axisymmetric plasmas
International Nuclear Information System (INIS)
Murakami, S.; Idei, H.; Kubo, S.; Nakajima, N.; Okamoto, M.; Gasparino, U.; Maassberg, H.; Rome, M.; Marushchenko, N.
2000-01-01
ECRH driven transport of suprathermal electrons is studied in non-axisymmetric plasmas using a new Monte Carlo simulation technique in 5-D phase space. Two different phases of the ECRH driven transport of suprathermal electrons can be seen. The first is a rapid convective phase due to the direct radial motion of trapped electrons and the second is a slower phase due to the collisional transport. The important role of the radial transport of suprathermal electrons in the broadening of the ECRH deposition profile in W7-AS is clarified. The ECRH driven flux is also evaluated and considered in relation to the 'electron root' feature recently observed in W7-AS. It is found that, at low collisionalities, the ECRH driven flux due to the suprathermal electrons can play a dominant role in the condition of ambipolarity, and thus the observed electron root feature in W7-AS is thought to be driven by the radial (convective) flux of ECRH generated suprathermal electrons. A possible scenario for this type of electron root is considered for the LHD plasma. (author)
Energy Technology Data Exchange (ETDEWEB)
Swaminathan-Gopalan, Krishnan; Stephani, Kelly A., E-mail: ksteph@illinois.edu [Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States)
2016-02-15
A systematic approach for calibrating the direct simulation Monte Carlo (DSMC) collision model parameters to achieve consistency in the transport processes is presented. The DSMC collision cross section model parameters are calibrated for high temperature atmospheric conditions by matching the collision integrals from DSMC against ab initio based collision integrals that are currently employed in the Langley Aerothermodynamic Upwind Relaxation Algorithm (LAURA) and Data Parallel Line Relaxation (DPLR) high temperature computational fluid dynamics solvers. The DSMC parameter values are computed for the widely used Variable Hard Sphere (VHS) and the Variable Soft Sphere (VSS) models using the collision-specific pairing approach. The recommended best-fit VHS/VSS parameter values are provided over a temperature range of 1000-20 000 K for a thirteen-species ionized air mixture. Use of the VSS model is necessary to achieve consistency in transport processes of ionized gases. The agreement of the VSS model transport properties with the transport properties as determined by the ab initio collision integral fits was found to be within 6% in the entire temperature range, regardless of the composition of the mixture. The recommended model parameter values can be readily applied to any gas mixture involving binary collisional interactions between the chemical species presented for the specified temperature range.
Thermal transport in nanocrystalline Si and SiGe by ab initio based Monte Carlo simulation.
Yang, Lina; Minnich, Austin J
2017-03-14
Nanocrystalline thermoelectric materials based on Si have long been of interest because Si is earth-abundant, inexpensive, and non-toxic. However, a poor understanding of phonon grain boundary scattering and its effect on thermal conductivity has impeded efforts to improve the thermoelectric figure of merit. Here, we report an ab-initio based computational study of thermal transport in nanocrystalline Si-based materials using a variance-reduced Monte Carlo method with the full phonon dispersion and intrinsic lifetimes from first-principles as input. By fitting the transmission profile of grain boundaries, we obtain excellent agreement with experimental thermal conductivity of nanocrystalline Si [Wang et al. Nano Letters 11, 2206 (2011)]. Based on these calculations, we examine phonon transport in nanocrystalline SiGe alloys with ab-initio electron-phonon scattering rates. Our calculations show that low energy phonons still transport substantial amounts of heat in these materials, despite scattering by electron-phonon interactions, due to the high transmission of phonons at grain boundaries, and thus improvements in ZT are still possible by disrupting these modes. This work demonstrates the important insights into phonon transport that can be obtained using ab-initio based Monte Carlo simulations in complex nanostructured materials.
Transport in aluminized RDX under shock compression explored using molecular dynamics simulations
International Nuclear Information System (INIS)
Losada, M; Chaudhuri, S
2014-01-01
Shock response of energetic materials is controlled by a combination of mechanical response, thermal, transport, and chemical properties. How these properties interplay in condensed-phase energetic materials is of fundamental interest for improving predictive capabilities. Due to unknown nature of chemistry during the evolution and growth of high-temperature regions within the energetic material (so called hot spots), the connection between reactive and unreactive equations of state contain a high degree of empiricism. In particular, chemistry in materials with high degree of heterogeneity such as aluminized HE is of interest. In order to identify shock compression states and transport properties in high-pressure/temperature (HP-HT) conditions, we use molecular dynamics (MD) simulations in conjunction with the multi-scale shock technique (MSST). Mean square displacement calculations enabled us to track the diffusivity of stable gas products. Among decomposition products, H 2 O and CO 2 are found to be the dominant diffusing species under compression conditions. Heat transport and diffusion rates in decomposed RDX are compared and the comparison shows that around 2000 K, transport can be a major contribution during propagation of the reaction front.
5D simulation study of suprathermal electron transport in non-axisymmetric plasmas
International Nuclear Information System (INIS)
Murakami, S.; Idei, H.; Kubo, S.; Nakajima, N.; Okamoto, M.; Gasparino, U.; Maassberg, H.; Rome, M.; Marushchenko, N.
1999-01-01
ECRH-driven transport of suprathermal electrons is studied in non-axisymmetric plasmas using a new Monte Carlo simulation technique in 5D phase space. Two different phases of the ECRH-driven transport of suprathermal electrons can be seen; one is a rapid convective phase due to the direct radial motion of trapped electrons and the other is a slower phase due to the collisional transport. The important role of the radial transport of suprathermal electrons in the broadening of the ECRH deposition profile is clarified in W7-AS. The ECRH driven flux is also evaluated and put in relation with the 'electron root' feature recently observed in W7-AS. It is found that, at low collisionalities, the ECRH driven flux due to the suprathermal electrons can play a dominant role in the condition of ambipolarity and, thus, the observed 'electron root' feature in W7-AS is thought to be driven by the radial (convective) flux of ECRH generated suprathermal electrons. The possible scenario of this 'ECRH-driven electron root' is considered in the LHD plasma. (author)
5D simulation study of suprathermal electron transport in non-axisymmetric plasmas
International Nuclear Information System (INIS)
Murakami, S.; Idei, H.; Kubo, S.; Nakajima, N.; Okamoto, M.; Gasparino, U.; Maassberg, H.; Rome, M.; Marushchenko, N.
2001-01-01
ECRH-driven transport of is studied in using a new Monte Carlo simulation technique in 5D phase space. Two different phases of the ECRH-driven transport of suprathermal electrons can be seen; one is a rapid convective phase due to the direct radial motion of trapped electrons and the other is a slower phase due to the collisional transport. The important role of the radial transport of suprathermal electrons in the broadening of the ECRH deposition profile is clarified in W7-AS. The ECRH driven flux is also evaluated and put in relation with the ''electron root'' feature recently observed in W7-AS. It is found that, at low collisionalities, the ECRH driven flux due to the suprathermal electrons can play a dominant role in the condition of ambipolarity and, thus, the observed ''electron root'' feature in W7-AS is thought to be driven by the radial (convective) flux of ECRH generated suprathermal electrons. The possible scenario of this ''ECRH-driven electron root'' is considered in the LHD plasma. (author)
Studies on the transportation dynamics of 60Co in simulated ecosystem
International Nuclear Information System (INIS)
Wei Jianpeng; Chen Chuanqun; Wang Shouxiang; Sun Zhiming; Wang Jiyan
1999-12-01
The isotope tracer techniques were applied to study the transportation, accumulation and distribution of 60 Co in the pot-cultivated tomato-soil, aquatic and terrestrial ecosystems. Based on the principle of tracer dynamic compartment models, the mathematical formulae were established via computer simulation to describe the 60 Co behavior patterns in ecosystems and thus provided some basic information for elucidating the behavior of 60 Co in the environment. The results are as follows: (1) When 60 Co was introduced into the tomato-soil system, 60 Co was transported and accumulated in the soil and adsorbed by tomato root quickly, then transported to the above-ground plant. (2) The behavior patterns of 60 Co in the tomato-soil system could be described using the opened two-compartment model. (3) When 60 Co was introduced into aquatic system in the form of 60 Co-CoCl 2 , it was transported and transformed via deposit, complexation with other ions, adsorption and absorption by aquatic living things and led to the distribution and accumulation in individual part of the living things. (4) The behavior pattern of 60 Co in the aquatic-terrestrial ecosystem could be described by using opened five-compartment model
Landazuri, Andrea C.
This dissertation focuses on aerosol transport modeling in occupational environments and mining sites in Arizona using computational fluid dynamics (CFD). The impacts of human exposure in both environments are explored with the emphasis on turbulence, wind speed, wind direction and particle sizes. Final emissions simulations involved the digitalization process of available elevation contour plots of one of the mining sites to account for realistic topographical features. The digital elevation map (DEM) of one of the sites was imported to COMSOL MULTIPHYSICSRTM for subsequent turbulence and particle simulations. Simulation results that include realistic topography show considerable deviations of wind direction. Inter-element correlation results using metal and metalloid size resolved concentration data using a Micro-Orifice Uniform Deposit Impactor (MOUDI) under given wind speeds and directions provided guidance on groups of metals that coexist throughout mining activities. Groups between Fe-Mg, Cr-Fe, Al-Sc, Sc-Fe, and Mg-Al are strongly correlated for unrestricted wind directions and speeds, suggesting that the source may be of soil origin (e.g. ore and tailings); also, groups of elements where Cu is present, in the coarse fraction range, may come from mechanical action mining activities and saltation phenomenon. Besides, MOUDI data under low wind speeds (Computational Fluid Dynamics can be used as a source apportionment tool to identify areas that have an effect over specific sampling points and susceptible regions under certain meteorological conditions, and these conclusions can be supported with inter-element correlation matrices and lead isotope analysis, especially since there is limited access to the mining sites. Additional results concluded that grid adaption is a powerful tool that allows to refine specific regions that require lots of detail and therefore better resolve flow detail, provides higher number of locations with monotonic convergence than the
Energy Technology Data Exchange (ETDEWEB)
McConnell, Paul E. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Koenig, Greg John [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Uncapher, William Leonard [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Grey, Carissa [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Engelhardt, Charles [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Saltzstein, Sylvia J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sorenson, Ken B. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
2016-05-01
This report describes the third set of tests (the “DCLa shaker tests”) of an instrumented surrogate PWR fuel assembly. The purpose of this set of tests was to measure strains and accelerations on Zircaloy-4 fuel rods when the PWR assembly was subjected to rail and truck loadings simulating normal conditions of transport when affixed to a multi-axis shaker. This is the first set of tests of the assembly simulating rail normal conditions of transport.
Energy Technology Data Exchange (ETDEWEB)
McConnell, Paul E. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Koenig, Greg John [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Uncapher, William Leonard [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Grey, Carissa [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Engelhardt, Charles [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Saltzstein, Sylvia J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sorenson, Ken B. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
2016-05-12
This report describes the third set of tests (the “DCL^{a} shaker tests”) of an instrumented surrogate PWR fuel assembly. The purpose of this set of tests was to measure strains and accelerations on Zircaloy-4 fuel rods when the PWR assembly was subjected to rail and truck loadings simulating normal conditions of transport when affixed to a multi-axis shaker. This is the first set of tests of the assembly simulating rail normal conditions of transport.
Transport appraisal and Monte Carlo simulation by use of the CBA-DK model
DEFF Research Database (Denmark)
Salling, Kim Bang; Leleur, Steen
2011-01-01
calculation, where risk analysis is carried out using Monte Carlo simulation. Special emphasis has been placed on the separation between inherent randomness in the modeling system and lack of knowledge. These two concepts have been defined in terms of variability (ontological uncertainty) and uncertainty......This paper presents the Danish CBA-DK software model for assessment of transport infrastructure projects. The assessment model is based on both a deterministic calculation following the cost-benefit analysis (CBA) methodology in a Danish manual from the Ministry of Transport and on a stochastic...... (epistemic uncertainty). After a short introduction to deterministic calculation resulting in some evaluation criteria a more comprehensive evaluation of the stochastic calculation is made. Especially, the risk analysis part of CBA-DK, with considerations about which probability distributions should be used...
International Nuclear Information System (INIS)
Whitehouse, J.C.; Burket, P.R.; Crowley, D.A.; Hansen, E.K.; Jantzen, C.M.; Smith, M.E.; Singer, R.P.; Young, S.R.; Zamecnik, J.R.; Overcamp, T.J.; Pence, I.W. Jr.
1996-01-01
The Transportable Vitrification System (TVS) is a large-scale, fully-integrated, transportable, vitrification system for the treatment of low-level nuclear and mixed wastes in the form of sludges, soils, incinerator ash, and similar waste streams. The TVS was built to demonstrate the vitrification of actual mixed waste at U. S. Department of Energy (DOE) sites. Currently, Westinghouse Savannah River Company (WSRC) is working with Lockheed Martin Energy Systems (LMES) to apply field scale vitrification to actual mixed waste at Oak Ridge Reservation's (ORR) K-25 Site. Prior to the application of the TVS to actual mixed waste it was tested on simulated K-25 B and C Pond waste at Clemson University. This paper describes the results of that testing and preparations for the demonstration on actual mixed waste
Wigner Transport Simulation of Resonant Tunneling Diodes with Auxiliary Quantum Wells
Lee, Joon-Ho; Shin, Mincheol; Byun, Seok-Joo; Kim, Wangki
2018-03-01
Resonant-tunneling diodes (RTDs) with auxiliary quantum wells ( e.g., emitter prewell, subwell, and collector postwell) are studied using a Wigner transport equation (WTE) discretized by a thirdorder upwind differential scheme. A flat-band potential profile is used for the WTE simulation. Our calculations revealed functions of the auxiliary wells as follows: The prewell increases the current density ( J) and the peak voltage ( V p ) while decreasing the peak-to-valley current ratio (PVCR), and the postwell decreases J while increasing the PVCR. The subwell affects J and PVCR, but its main effect is to decrease V p . When multiple auxiliary wells are used, each auxiliary well contributes independently to the transport without producing side effects.
Kinetic Simulation of Fast Electron Transport with Ionization Effects and Ion Acceleration
International Nuclear Information System (INIS)
Robinson, A. P. L.; Bell, A. R.; Kingham, R. J.
2005-01-01
The generation of relativistic electrons and multi-MeV ions is central to ultra intense (> 1018Wcm-2) laser-solid interactions. The production of energetic particles by lasers has a number of potential applications ranging from Fast Ignition ICF to medicine. In terms of the relativistic (fast) electrons the areas of interest can be divided into three areas. Firstly there is the absorption of laser energy into fast electrons and MeV ions. Secondly there is the transport of fast electrons through the solid target. Finally there is a transduction stage, where the fast electron energy is imparted. This may range from being the electrostatic acceleration of ions at a plasma-vacuum interface, to the heating of a compressed core (as in Fast Ignitor ICF).We have used kinetic simulation codes to study the transport stage and electrostatic ion acceleration. (Author)
Computer simulations for intense continuous beam transport in electrostatic lens systems
International Nuclear Information System (INIS)
Zhao Xiaosong; Lv Jianqin
2008-01-01
A code LEADS based on the Lie algebraic analysis for the continuous beam dynamics with space charge effect in beam transport has been developed. The program is used for the simulations of axial-symmetric and unsymmetrical intense continuous beam in the channels including drift spaces, electrostatic lenses and DC electrostatic accelerating tubes. In order to get the accuracy required, all elements are divided into many small segments, and the electric field in the segments is regarded as uniform field, and the dividing points are treated as thin lenses. Iteration procedures are adopted in the program to obtain self-consistent solutions. The code can be used in the designs of low energy beam transport systems, electrostatic accelerators and ion implantation machines. (authors)
Guideline of Monte Carlo calculation. Neutron/gamma ray transport simulation by Monte Carlo method
2002-01-01
This report condenses basic theories and advanced applications of neutron/gamma ray transport calculations in many fields of nuclear energy research. Chapters 1 through 5 treat historical progress of Monte Carlo methods, general issues of variance reduction technique, cross section libraries used in continuous energy Monte Carlo codes. In chapter 6, the following issues are discussed: fusion benchmark experiments, design of ITER, experiment analyses of fast critical assembly, core analyses of JMTR, simulation of pulsed neutron experiment, core analyses of HTTR, duct streaming calculations, bulk shielding calculations, neutron/gamma ray transport calculations of the Hiroshima atomic bomb. Chapters 8 and 9 treat function enhancements of MCNP and MVP codes, and a parallel processing of Monte Carlo calculation, respectively. An important references are attached at the end of this report.
Limit Theorems and Their Relation to Solute Transport in Simulated Fractured Media
Reeves, D. M.; Benson, D. A.; Meerschaert, M. M.
2003-12-01
Solute particles that travel through fracture networks are subject to wide velocity variations along a restricted set of directions. This may result in super-Fickian dispersion along a few primary scaling directions. The fractional advection-dispersion equation (FADE), a modification of the original advection-dispersion equation in which a fractional derivative replaces the integer-order dispersion term, has the ability to model rapid, non-Gaussian solute transport. The FADE assumes that solute particle motions converge to either α -stable or operator stable densities, which are modeled by spatial fractional derivatives. In multiple dimensions, the multi-fractional dispersion derivative dictates the order and weight of differentiation in all directions, which correspond to the statistics of large particle motions in all directions. This study numerically investigates the presence of super- Fickian solute transport through simulated two-dimensional fracture networks. An ensemble of networks is gen
Energy Technology Data Exchange (ETDEWEB)
Huang, Yanhui, E-mail: huangy12@rpi.edu; Schadler, Linda S. [Department of Material Science and Engineering, Rensselaer Polytechnic Institute, 110 8th street, Troy, New York 12180 (United States)
2016-08-07
The high field charge injection and transport properties in reinforced silicone dielectrics were investigated by measuring the time-dependent space charge distribution and the current under dc conditions up to the breakdown field and were compared with the properties of other dielectric polymers. It is argued that the energy and spatial distribution of localized electronic states are crucial in determining these properties for polymer dielectrics. Tunneling to localized states likely dominates the charge injection process. A transient transport regime arises due to the relaxation of charge carriers into deep traps at the energy band tails and is successfully verified by a Monte Carlo simulation using the multiple-hopping model. The charge carrier mobility is found to be highly heterogeneous due to the non-uniform trapping. The slow moving electron packet exhibits a negative field dependent drift velocity possibly due to the spatial disorder of traps.
Huang, Zhengfeng; Zheng, Pengjun; Ma, Yanqiang; Li, Xuan; Xu, Wenjun; Zhu, Wanlu
2016-01-01
The choice of investment strategy has a great impact on the performance of transport infrastructure. Positive projects such as the "Subway plus Property" model in Hong Kong have created sustainable financial profits for the public transport projects. Owing to a series of public debt and other constraints, public-private partnership (PPP) was introduced as an innovative investment model to address this issue and help develop transport infrastructure. Yet, few studies provide a deeper understanding of relationships between PPP strategy and the performance of such transport projects (particularly the whole transport system). This paper defines the research scope as a regional network of freeway. With a popular PPP model, travel demand prediction method, and relevant parameters as input, agents in a simulation framework can simulate the choice of PPP freeway over time. The simulation framework can be used to analyze the relationship between the PPP strategy and performance of the regional freeway network. This study uses the Freeway Network of Yangtze River Delta (FN-YRD) in China as the context. The results demonstrate the value of using simulation models of complex transportation systems to help decision makers choose the right PPP projects. Such a tool is viewed as particularly important given the ongoing transformation of functions of the Chinese transportation sector, including franchise rights of transport projects, and freeway charging mechanism.
DEFF Research Database (Denmark)
Rolsted, Kamilla; Rapin, Nicolas; Steffansen, Bente
2011-01-01
Substances that compete for the same saturable intestinal transporters may when dosed together lead to altered permeability and hence influence bioavailability. The aim was to simulate kinetic parameters, i.e. K(m) and J(max), for transporter mediated E(1)S permeability across Caco-2 cells...
DEFF Research Database (Denmark)
Koldsø, Heidi; Noer, Pernille Rimmer; Grouleff, Julie
2011-01-01
transporter has resulted in homology models of the monoamine transporters. Here we present extended molecular dynamics simulations of an experimentally supported homology model of hSERT with and without the natural substrate yielding a total of more than 1.5 µs of simulation of the protein dimer....... The simulations reveal a transition of hSERT from an outward-facing occluded conformation to an inward-facing conformation in a one-substrate-bound state. Simulations with a second substrate in the proposed symport effector site did not lead to conformational changes associated with translocation. The central...... substrate binding site becomes fully exposed to the cytoplasm leaving both the Na+-ion in the Na2-site and the substrate in direct contact with the cytoplasm through water interactions. The simulations reveal how sodium is released and show indications of early events of substrate transport. The notion...
Evaluation of the transport matrix method for simulation of ocean biogeochemical tracers
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
International Nuclear Information System (INIS)
Chen, H.H.
1980-01-01
Radionuclide transport by groundwater flow is an important pathway in the assessment of the environmental impact of radioactive waste disposal to the biosphere. A numerical model was developed to simulate radionuclide transport by groundwater flow and predict the radionuclide discharge rate to the biosphere. A sensitivity analysis methodology was developed to address the sensitivity of the input parameters of the radionuclide transport equation to the specified response of interest
International Nuclear Information System (INIS)
Xu Chang; Li Baoan
2010-01-01
Taking into account more accurately the isospin dependence of nucleon-nucleon interactions in the in-medium many-body force term of the Gogny effective interaction, new expressions for the single-nucleon potential and the symmetry energy are derived. Effects of both the spin (isospin) and the density dependence of nuclear effective interactions on the symmetry potential and the symmetry energy are examined. It is shown that they both play a crucial role in determining the symmetry potential and the symmetry energy at suprasaturation densities. The improved single-nucleon potential will be useful for more accurate simulation of nuclear reactions induced by rare-isotope beams within transport models.
Directory of Open Access Journals (Sweden)
S Hadji
2008-09-01
Full Text Available This study deals with the simulation of transport and interaction betweenbodies considered as a rectangular shape particles, in urban flow. We usedan hydrodynamic two-dimensional finite elements model coupled to theparticles model based on Maxey-Riley equations, and taking into accountof contact between bodies. The finite element discretization is based onthe velocity field richer than pressure field, and the particles displacementsare computed by using a rigid body motion method. A collision strategy isalso developed to handle cases in which bodies touch.
International Nuclear Information System (INIS)
Holst, Bastian; French, Martin; Redmer, Ronald
2011-01-01
Using Kubo's linear response theory, we derive expressions for the frequency-dependent electrical conductivity (Kubo-Greenwood formula), thermopower, and thermal conductivity in a strongly correlated electron system. These are evaluated within ab initio molecular dynamics simulations in order to study the thermoelectric transport coefficients in dense liquid hydrogen, especially near the nonmetal-to-metal transition region. We also observe significant deviations from the widely used Wiedemann-Franz law, which is strictly valid only for degenerate systems, and give an estimate for its valid scope of application toward lower densities.
Chiral Magnetic Effect and Anomalous Transport from Real-Time Lattice Simulations
International Nuclear Information System (INIS)
Müller, Niklas; Schlichting, Sören; Sharma, Sayantan
2016-01-01
Here, we present a first-principles study of anomaly induced transport phenomena by performing real-time lattice simulations with dynamical fermions coupled simultaneously to non-Abelian S U (N _c) and Abelian U (1) gauge fields. By investigating the behavior of vector and axial currents during a sphaleron transition in the presence of an external magnetic field, we demonstrate how the interplay of the chiral magnetic and chiral separation effect leads to the formation of a propagating wave. Furthermore, we analyze the dependence of the magnitude of the induced vector current and the propagation of the wave on the amount of explicit chiral symmetry breaking due to finite quark masses.
Numerical simulation of sediment transport from Ba Lat Mouth and the process of coastal morphology
International Nuclear Information System (INIS)
Chung, Dang Huu
2008-01-01
This paper presents an application of a 3D numerical model to simulate one vertical layer sediment transport and coastal morphodynamical process for the Hai Hau coastal area located in the north of Vietnam, where a very large amount of suspended sediment is carried into the sea from Ba Lat Mouth every year. Four simulations are based on the real data of waves supplied by the observation station close to Ba Lat Mouth. The conditions of wind and suspended sand concentration at Ba Lat Mouth are basically assumed from practice. The computed results show that the hydrodynamic factors strongly depend on the wind condition and these factors govern the direction and the range of suspended sand transport, especially in the shallow-water region. In the deep-water region this influence is not really clear when the wind force is not strong enough to modify the tidal current. In the area close to Ba Lat Mouth the flow velocity is very large with the maximum flood flow about 2.6 m s −1 and the maximum ebb flow about 1 m s −1 at the mouth, and this is one of the reasons for strong erosion. In the case of tidal flow only, the suspended sand concentration decreases resulting in local deposition. Therefore, the area influenced by suspended transport is small, about 12 km from the mouth. In the condition of wind and waves, the suspended sand transport reaches the end of the computation area within a few days, especially the cases with wind from the north-east-north. Through these simulation results, a common tendency of sediment movement from the north to the south is specified for the Hai Hau coastal area. In addition, the results also show that the coast suffers from strong erosion, especially the region near Ba Lat Mouth. From the simulation results it can be seen that the movement of the Red River sand along the Vietnamese coast is quite possible, which is an answer to a long-standing question. Furthermore, although the suspended sediment concentration is quite large, it is
Radiobiological application of simulation of low-energy electron transport in liquid water
International Nuclear Information System (INIS)
Eudaldo Puell, Teresa.
1979-01-01
A Monte-Carlo transport simulation method, so-called event-after-event method provide results about trajectories of low-energy electrons, slowing-down in liquid water. A radiosensitive target model constituted by water cylindrical volumes, like the ones which surround the DNA molecule, is taken into consideration. The results characterizing the primary physical stage of radiation action, such as, space ionization distributions, interionization distance distributions ..., are obtained in some configurations constituted by single or several targets, in order to approach the biological reality [fr
Liu, Yi-Chin; Fan, Jiwen; Zhang, Guang J.; Xu, Kuan-Man; Ghan, Steven J.
2015-04-01
Following Part I, in which 3-D cloud-resolving model (CRM) simulations of a squall line and mesoscale convective complex in the midlatitude continental and the tropical regions are conducted and evaluated, we examine the scale dependence of eddy transport of water vapor, evaluate different eddy transport formulations, and improve the representation of convective transport across all scales by proposing a new formulation that more accurately represents the CRM-calculated eddy flux. CRM results show that there are strong grid-spacing dependencies of updraft and downdraft fractions regardless of altitudes, cloud life stage, and geographical location. As for the eddy transport of water vapor, updraft eddy flux is a major contributor to total eddy flux in the lower and middle troposphere. However, downdraft eddy transport can be as large as updraft eddy transport in the lower atmosphere especially at the mature stage of midlatitude continental convection. We show that the single-updraft approach significantly underestimates updraft eddy transport of water vapor because it fails to account for the large internal variability of updrafts, while a single downdraft represents the downdraft eddy transport of water vapor well. We find that using as few as three updrafts can account for the internal variability of updrafts well. Based on the evaluation with the CRM simulated data, we recommend a simplified eddy transport formulation that considers three updrafts and one downdraft. Such formulation is similar to the conventional one but much more accurately represents CRM-simulated eddy flux across all grid scales.
International Nuclear Information System (INIS)
Densmore, Jeffery D.; Thompson, Kelly G.; Urbatsch, Todd J.
2012-01-01
Discrete Diffusion Monte Carlo (DDMC) is a technique for increasing the efficiency of Implicit Monte Carlo radiative-transfer simulations in optically thick media. In DDMC, particles take discrete steps between spatial cells according to a discretized diffusion equation. Each discrete step replaces many smaller Monte Carlo steps, thus improving the efficiency of the simulation. In this paper, we present an extension of DDMC for frequency-dependent radiative transfer. We base our new DDMC method on a frequency-integrated diffusion equation for frequencies below a specified threshold, as optical thickness is typically a decreasing function of frequency. Above this threshold we employ standard Monte Carlo, which results in a hybrid transport-diffusion scheme. With a set of frequency-dependent test problems, we confirm the accuracy and increased efficiency of our new DDMC method.
TMCC: a transient three-dimensional neutron transport code by the direct simulation method - 222
International Nuclear Information System (INIS)
Shen, H.; Li, Z.; Wang, K.; Yu, G.
2010-01-01
A direct simulation method (DSM) is applied to solve the transient three-dimensional neutron transport problems. DSM is based on the Monte Carlo method, and can be considered as an application of the Monte Carlo method in the specific type of problems. In this work, the transient neutronics problem is solved by simulating the dynamic behaviors of neutrons and precursors of delayed neutrons during the transient process. DSM gets rid of various approximations which are always necessary to other methods, so it is precise and flexible in the requirement of geometric configurations, material compositions and energy spectrum. In this paper, the theory of DSM is introduced first, and the numerical results obtained with the new transient analysis code, named TMCC (Transient Monte Carlo Code), are presented. (authors)
Transport simulation analysis of peripheral plasma with the open and the closed LHD divertor
International Nuclear Information System (INIS)
Kawamura, G.; Kobayashi, M.; Shoji, M.; Morisaki, T.; Masuzaki, S.; Feng, Y.
2014-10-01
Simulation modeling of the ergodic and divertor plasmas of the Large Helical Device (LHD) and its application to analysis of neutral particles, plasma, and impurity transport is presented. EMC3-EIRENE simulation with a new calculation mesh system is employed to evaluate effects of different divertor configurations: the open and the closed divertor. Qualitatively good agreement of neutral gas pressure with measurements was obtained, where the closed configuration causes roughly 20 times higher pressure under a dome structure than the open configuration. Effects of different configurations and gas pumping were investigated to understand recycling. Impurity accumulation and impurity screening in the ergodic region were investigated and differences caused by the configurations are evaluated. The closed configuration causes large impurity accumulation but the impurity screening effect suppress the accumulation at the same level of as the open configuration. (author)
Yu, Leiming; Nina-Paravecino, Fanny; Kaeli, David; Fang, Qianqian
2018-01-01
We present a highly scalable Monte Carlo (MC) three-dimensional photon transport simulation platform designed for heterogeneous computing systems. Through the development of a massively parallel MC algorithm using the Open Computing Language framework, this research extends our existing graphics processing unit (GPU)-accelerated MC technique to a highly scalable vendor-independent heterogeneous computing environment, achieving significantly improved performance and software portability. A number of parallel computing techniques are investigated to achieve portable performance over a wide range of computing hardware. Furthermore, multiple thread-level and device-level load-balancing strategies are developed to obtain efficient simulations using multiple central processing units and GPUs. (2018) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).
Crider, Dennis; Foster, John V.
2012-01-01
In-flight loss of control remains the leading contributor to aviation accident fatalities, with stall upsets being the leading causal factor. The February 12, 2009. Colgan Air, Inc., Continental Express flight 3407 accident outside Buffalo, New York, brought this issue to the forefront of public consciousness and resulted in recommendations from the National Transportation Safety Board to conduct training that incorporates stalls that are fully developed and develop simulator standards to support such training. In 2010, Congress responded to this accident with Public Law 11-216 (Section 208), which mandates full stall training for Part 121 flight operations. Efforts are currently in progress to develop recommendations on implementation of stall training for airline pilots. The International Committee on Aviation Training in Extended Envelopes (ICATEE) is currently defining simulator fidelity standards that will be necessary for effective stall training. These recommendations will apply to all civil transport aircraft including straight-wing turboprop aircraft. Government-funded research over the previous decade provides a strong foundation for stall/post-stall simulation for swept-wing, conventional tail jets to respond to this mandate, but turboprops present additional and unique modeling challenges. First among these challenges is the effect of power, which can provide enhanced flow attachment behind the propellers. Furthermore, turboprops tend to operate for longer periods in an environment more susceptible to ice. As a result, there have been a significant number of turboprop accidents as a result of the early (lower angle of attack) stalls in icing. The vulnerability of turboprop configurations to icing has led to studies on ice accumulation and the resulting effects on flight behavior. Piloted simulations of these effects have highlighted the important training needs for recognition and mitigation of icing effects, including the reduction of stall margins
Numerical simulation of two-phase multicomponent flow with reactive transport in porous media
International Nuclear Information System (INIS)
Vostrikov, Viatcheslav
2014-01-01
The subject of this thesis is the numerical simulation of water-gas flow in the subsurface together with chemical reactions. The subject has applications to various situations in environmental modeling, though we are mainly concerned with CO 2 storage in deep saline aquifers. In Carbon Capture and Storage studies, CO 2 is first captured from its sources of origin, transport in liquefied form and injected as gas under high pressure in deep saline aquifers. Numerical simulation is an essential tool to make sure that gaseous CO 2 will remain trapped for several hundreds or thousands of years. Several trapping mechanisms can be brought to bear to achieve this goal. Of particular interest in this thesis are solubility trapping (whereby gaseous CO 2 dissolves in the brine as it moves upward) and, on a longer term, mineral trapping (which causes CO 2 to react with the surrounding rock to form minerals such as calcite). Thus, understanding how CO 2 reacts chemically becomes an important issue for its long term fate. The thesis is composed of four chapters. The first chapter is an introduction to multicomponent two-phase flow in porous media, with or without chemical reactions. It presents a review of the existing literature, and gives an outline of the whole thesis. Chapter 2 presents a quantitative discussion of the physical and chemical phenomena involved, and of their mathematical modeling. The model we use is that of two-phase two-component flow in porous media, coupled to reactive transport. This model leads to a large set of partial differential equations, coupled to algebraic equations, describing the evolution of the concentration of each species at each grid point. A direct solution of this problem (a fully coupled solution) is possible, but presents many difficulties form the numerical point of view. Moreover, it makes it difficult to reuse codes already written, and validated, to simulate the simpler phenomena of (uncoupled) two-phase flow and reactive transport
International Nuclear Information System (INIS)
Chen, Zhenping; Song, Jing; Zheng, Huaqing; Wu, Bin; Hu, Liqin
2015-01-01
Highlights: • The subdivision combines both advantages of uniform and non-uniform schemes. • The grid models were proved to be more efficient than traditional CSG models. • Monte Carlo simulation performance was enhanced by Optimal Spatial Subdivision. • Efficiency gains were obtained for realistic whole reactor core models. - Abstract: Geometry navigation is one of the key aspects of dominating Monte Carlo particle transport simulation performance for large-scale whole reactor models. In such cases, spatial subdivision is an easily-established and high-potential method to improve the run-time performance. In this study, a dedicated method, named Optimal Spatial Subdivision, is proposed for generating numerically optimal spatial grid models, which are demonstrated to be more efficient for geometry navigation than traditional Constructive Solid Geometry (CSG) models. The method uses a recursive subdivision algorithm to subdivide a CSG model into non-overlapping grids, which are labeled as totally or partially occupied, or not occupied at all, by CSG objects. The most important point is that, at each stage of subdivision, a conception of quality factor based on a cost estimation function is derived to evaluate the qualities of the subdivision schemes. Only the scheme with optimal quality factor will be chosen as the final subdivision strategy for generating the grid model. Eventually, the model built with the optimal quality factor will be efficient for Monte Carlo particle transport simulation. The method has been implemented and integrated into the Super Monte Carlo program SuperMC developed by FDS Team. Testing cases were used to highlight the performance gains that could be achieved. Results showed that Monte Carlo simulation runtime could be reduced significantly when using the new method, even as cases reached whole reactor core model sizes
Neutral Transport Simulations of Gas Puff Imaging Experiments on Alcator C-Mod
International Nuclear Information System (INIS)
Stotler, D.P.; LaBombard, B.; Terry, J.L.; Zweben, S.J.
2002-01-01
Visible imaging of gas puffs has been used on the Alcator C-Mod tokamak to characterize edge plasma turbulence, yielding data that can be compared with plasma turbulence codes. Simulations of these experiments with the DEGAS 2 Monte Carlo neutral transport code have been carried out to explore the relationship between the plasma fluctuations and the observed light emission. By imposing two-dimensional modulations on the measured time-average plasma density and temperature profiles, we demonstrate that the spatial structure of the emission cloud reflects that of the underlying turbulence. However, the photon emission rate depends on the plasma density and temperature in a complicated way, and no simple scheme for inferring the plasma parameters directly from the light emission patterns is apparent. The simulations indicate that excited atoms generated by molecular dissociation are a significant source of photons, further complicating interpretation of the gas puff imaging results.Visibl e imaging of gas puffs has been used on the Alcator C-Mod tokamak to characterize edge plasma turbulence, yielding data that can be compared with plasma turbulence codes. Simulations of these experiments with the DEGAS 2 Monte Carlo neutral transport code have been carried out to explore the relationship between the plasma fluctuations and the observed light emission. By imposing two-dimensional modulations on the measured time-average plasma density and temperature profiles, we demonstrate that the spatial structure of the emission cloud reflects that of the underlying turbulence. However, the photon emission rate depends on the plasma density and temperature in a complicated way, and no simple scheme for inferring the plasma parameters directly from the light emission patterns is apparent. The simulations indicate that excited atoms generated by molecular dissociation are a significant source of photons, further complicating interpretation of the gas puff imaging results
International Nuclear Information System (INIS)
Sarkar, Sohini; Kosson, David S.; Brown, Kevin; Garrabrants, Andrew C.; Meeussen, Hans; Van der Sloot, Hans
2013-01-01
A numerical simulation framework is presented in this paper for estimating evolution of pH and release of major species from grout within high-level waste tanks after closure. This model was developed as part of the Cementitious Barriers Partnership. The reactive transport model consists of two parts - (1) transport of species, and (2) chemical reactions. The closure grout can be assumed to have varying extents of cracking and composition for performance assessment purposes. The partially or completely degraded grouted tank is idealized as a dual regime system comprising of a mobile region having solid materials with cracks and macro-pores, and an immobile/stagnant region having solid matrix with micropores. The transport profiles of the species are calculated by incorporating advection of species through the mobile region, diffusion of species through the immobile/stagnant region, and exchange of species between the mobile and immobile regions. A geochemical speciation code in conjunction with the pH dependent test data for a grout material is used to obtain a mineral set that best describes the trends in the test data of the major species. The dual regime reactive transport model predictions are compared with the release data from an up-flow column percolation test. The coupled model is then used to assess effects of crack state of the structure, rate and composition of the infiltrating water on the pH evolution at the grout-waste interface. The coupled reactive transport model developed in this work can be used as part of the performance assessment process for evaluating potential risks from leaching of a cracked tank containing elements of human health and environmental concern. (authors)
Energy Technology Data Exchange (ETDEWEB)
Sarkar, Sohini; Kosson, David S.; Brown, Kevin; Garrabrants, Andrew C. [Consortium for Risk Assessment with Stakeholder Participation - CRESP, Vanderbilt University, Nashville, TN (United States); Meeussen, Hans [Consortium for Risk Assessment with Stakeholder Participation - CRESP, Nuclear Research and Consultancy Group, Petten (Netherlands); Van der Sloot, Hans [Consortium for Risk Assessment with Stakeholder Participation - CRESP, Hans Van der Sloot Consultancy (Netherlands)
2013-07-01
A numerical simulation framework is presented in this paper for estimating evolution of pH and release of major species from grout within high-level waste tanks after closure. This model was developed as part of the Cementitious Barriers Partnership. The reactive transport model consists of two parts - (1) transport of species, and (2) chemical reactions. The closure grout can be assumed to have varying extents of cracking and composition for performance assessment purposes. The partially or completely degraded grouted tank is idealized as a dual regime system comprising of a mobile region having solid materials with cracks and macro-pores, and an immobile/stagnant region having solid matrix with micropores. The transport profiles of the species are calculated by incorporating advection of species through the mobile region, diffusion of species through the immobile/stagnant region, and exchange of species between the mobile and immobile regions. A geochemical speciation code in conjunction with the pH dependent test data for a grout material is used to obtain a mineral set that best describes the trends in the test data of the major species. The dual regime reactive transport model predictions are compared with the release data from an up-flow column percolation test. The coupled model is then used to assess effects of crack state of the structure, rate and composition of the infiltrating water on the pH evolution at the grout-waste interface. The coupled reactive transport model developed in this work can be used as part of the performance assessment process for evaluating potential risks from leaching of a cracked tank containing elements of human health and environmental concern. (authors)
Transport of three veterinary antimicrobials from feedlot pens via simulated rainfall runoff.
Sura, Srinivas; Degenhardt, Dani; Cessna, Allan J; Larney, Francis J; Olson, Andrew F; McAllister, Tim A
2015-07-15
Veterinary antimicrobials are introduced to wider environments by manure application to agricultural fields or through leaching or runoff from manure storage areas (feedlots, stockpiles, windrows, lagoons). Detected in manure, manure-treated soils, and surface and ground water near intensive cattle feeding operations, there is a concern that environmental contamination by these chemicals may promote the development of antimicrobial resistance in bacteria. Surface runoff and leaching appear to be major transport pathways by which veterinary antimicrobials eventually contaminate surface and ground water, respectively. A study was conducted to investigate the transport of three veterinary antimicrobials (chlortetracycline, sulfamethazine, tylosin), commonly used in beef cattle production, in simulated rainfall runoff from feedlot pens. Mean concentrations of veterinary antimicrobials were 1.4 to 3.5 times higher in surface material from bedding vs. non-bedding pen areas. Runoff rates and volumetric runoff coefficients were similar across all treatments but both were significantly higher from non-bedding (0.53Lmin(-1); 0.27) than bedding areas (0.40Lmin(-1); 0.19). In keeping with concentrations in pen surface material, mean concentrations of veterinary antimicrobials were 1.4 to 2.5 times higher in runoff generated from bedding vs. non-bedding pen areas. Water solubility and sorption coefficient of antimicrobials played a role in their transport in runoff. Estimated amounts of chlortetracycline, sulfamethazine, and tylosin that could potentially be transported to the feedlot catch basin during a one in 100-year precipitation event were 1.3 to 3.6ghead(-1), 1.9ghead(-1), and 0.2ghead(-1), respectively. This study demonstrates the magnitude of veterinary antimicrobial transport in feedlot pen runoff and supports the necessity of catch basins for runoff containment within feedlots. Crown Copyright © 2015. Published by Elsevier B.V. All rights reserved.
Simulating endosulfan transport in runoff from cotton fields in Australia with the GLEAMS model.
Connolly, R D; Kennedy, I R; Silburn, D M; Simpson, B W; Freebairn, D M
2001-01-01
Endosulfan (6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9methano-2,4,3-benzodioxathiepin 3-oxide), a pesticide that is highly toxic to aquatic organisms, is widely used in the cotton (Gossypium hirsutum L.) industry in Australia and is a risk to the downstream riverine environment. We used the GLEAMS model to evaluate the effectiveness of a range of management scenarios aimed at minimizing endosulfan transport in runoff at the field scale. The field management scenarios simulated were (i) Conventional, bare soil at the beginning of the cotton season and seven irrigations per season; (ii) Improved Irrigation, irrigation amounts reduced and frequency increased to reduce runoff from excess irrigation; (iii) Dryland, no irrigation; (iv) Stubble Retained, increased soil cover created by retaining residue from the previous crop or a specially planted winter cover crop; and (v) Reduced Sprays, a fewer number of sprays. Stubble Retained was the most effective scenario for minimizing endosulfan transport because infiltration was increased and erosion reduced, and the stubble intercepted and neutralized a proportion of the applied endosulfan. Reducing excess irrigation reduced annual export rates by 80 to 90%, but transport in larger storm events was still high. Reducing the number of pesticide applications only reduced transport when three or fewer sprays were applied. We conclude that endosulfan transport from cotton farms can be minimized with a combination of field management practices that reduce excess irrigation and concentration of pesticide on the soil at any point in time; however, discharges, probably with endosulfan concentrations exceeding guideline values, will still occur in storm events.
Impact of optimized mixing heights on simulated regional atmospheric transport of CO2
Directory of Open Access Journals (Sweden)
R. Kretschmer
2014-07-01
Full Text Available The mixing height (MH is a crucial parameter in commonly used transport models that proportionally affects air concentrations of trace gases with sources/sinks near the ground and on diurnal scales. Past synthetic data experiments indicated the possibility to improve tracer transport by minimizing errors of simulated MHs. In this paper we evaluate a method to constrain the Lagrangian particle dispersion model STILT (Stochastic Time-Inverted Lagrangian Transport with MH diagnosed from radiosonde profiles using a bulk Richardson method. The same method was used to obtain hourly MHs for the period September/October 2009 from the Weather Research and Forecasting (WRF model, which covers the European continent at 10 km horizontal resolution. Kriging with external drift (KED was applied to estimate optimized MHs from observed and modelled MHs, which were used as input for STILT to assess the impact on CO2 transport. Special care has been taken to account for uncertainty in MH retrieval in this estimation process. MHs and CO2 concentrations were compared to vertical profiles from aircraft in situ data. We put an emphasis on testing the consistency of estimated MHs to observed vertical mixing of CO2. Modelled CO2 was also compared with continuous measurements made at Cabauw and Heidelberg stations. WRF MHs were significantly biased by ~10–20% during day and ~40–60% during night. Optimized MHs reduced this bias to ~5% with additional slight improvements in random errors. The KED MHs were generally more consistent with observed CO2 mixing. The use of optimized MHs had in general a favourable impact on CO2 transport, with bias reductions of 5–45% (day and 60–90% (night. This indicates that a large part of the found CO2 model–data mismatch was indeed due to MH errors. Other causes for CO2 mismatch are discussed. Applicability of our method is discussed in the context of CO2 inversions at regional scales.
Impact of optimized mixing heights on simulated regional atmospheric transport of CO2
International Nuclear Information System (INIS)
Kretschmer, R.; Gerbig, C.; Karstens, U.; Biavati, G.; Vermeulen, A.; Vogel, E.; Hammer, S.; Totsche, K.U.
2014-01-01
The mixing height (MH) is a crucial parameter in commonly used transport models that proportionally affects air concentrations of trace gases with sources/sinks near the ground and on diurnal scales. Past synthetic data experiments indicated the possibility to improve tracer transport by minimizing errors of simulated MHs. In this paper we evaluate a method to constrain the Lagrangian particle dispersion model STILT (Stochastic Time-Inverted Lagrangian Transport) with MH diagnosed from radiosonde profiles using a bulk Richardson method. The same method was used to obtain hourly MHs for the period September/October 2009 from the Weather Research and Forecasting (WRF) model, which covers the European continent at 10 km horizontal resolution. Kriging with external drift (KED) was applied to estimate optimized MHs from observed and modelled MHs, which were used as input for STILT to assess the impact on CO 2 transport. Special care has been taken to account for uncertainty in MH retrieval in this estimation process.MHs and CO 2 concentrations were compared to vertical profiles from aircraft in situ data.We put an emphasis on testing the consistency of estimated MHs to observed vertical mixing of CO 2 . Modelled CO 2 was also compared with continuous measurements made at Cabauw and Heidelberg stations. WRF MHs were significantly biased by 10-20% during day and 40-60% during night. Optimized MHs reduced this bias to 5% with additional slight improvements in random errors. The KED MHs were generally more consistent with observed CO 2 mixing. The use of optimized MHs had in general a favourable impact on CO 2 transport, with bias reductions of 5-45% (day) and 60-90% (night). This indicates that a large part of the found CO 2 model-data mismatch was indeed due to MH errors. Other causes for CO 2 mismatch are discussed. Applicability of our method is discussed in the context of CO 2 inversions at regional scales. (authors)
International Nuclear Information System (INIS)
Hirata, Yosuke; Nakahara, Katsuhiko; Sano, Akira; Sato, Mitsuyoshi; Aoyama, Yoshio; Miyamoto, Yasuaki; Yamaguchi, Hiromi; Nanbu, Kenichi; Takahashi, Hiroyuki; Oda, Akinori
2007-01-01
An innovative alpha radioactivity monitor for clearance level inspection has been developed. This apparatus measures an ion current resulting from air ionization by alpha particles. Ions generated in the measurement chamber of about 1 m 3 in volume are transported by airflow to a sensor and measured. This paper presents computational estimation of ion transport efficiencies for two pipes with different lengths, the inner surfaces of which were covered with a thin layer of uranium. These ion transport efficiencies were compared with those experimentally obtained for the purpose of our model validation. Good agreement was observed between transport efficiencies from simulations and those experimentally estimated. Dependence of the transport efficiencies on the region of uranium coating was also examined, based on which anticipated errors arising from unclear positions of contamination are also discussed. (author)
Pore-Scale Simulation for Predicting Material Transport Through Porous Media
International Nuclear Information System (INIS)
Goichi Itoh; Jinya Nakamura; Koji Kono; Tadashi Watanabe; Hirotada Ohashi; Yu Chen; Shinya Nagasaki
2002-01-01
Microscopic models of real-coded lattice gas automata (RLG) method with a special boundary condition and lattice Boltzmann method (LBM) are developed for simulating three-dimensional fluid dynamics in complex geometry. Those models enable us to simulate pore-scale fluid dynamics that is an essential part for predicting material transport in porous media precisely. For large-scale simulation of porous media with high resolution, the RLG and LBM programs are designed for parallel computation. Simulation results of porous media flow by the LBM with different pressure gradient conditions show quantitative agreements with macroscopic relations of Darcy's law and Kozeny-Carman equation. As for the efficiency of parallel computing, a standard parallel computation by using MPI (Message Passing Interface) is compared with the hybrid parallel computation of MPI-node parallel technique. The benchmark tests conclude that in case of using large number of computing node, the parallel performance declines due to increase of data communication between nodes and the hybrid parallel computation totally shows better performance in comparison with the standard parallel computation. (authors)
The Premar Code for the Monte Carlo Simulation of Radiation Transport In the Atmosphere
International Nuclear Information System (INIS)
Cupini, E.; Borgia, M.G.; Premuda, M.
1997-03-01
The Montecarlo code PREMAR is described, which allows the user to simulate the radiation transport in the atmosphere, in the ultraviolet-infrared frequency interval. A plan multilayer geometry is at present foreseen by the code, witch albedo possibility at the lower boundary surface. For a given monochromatic point source, the main quantities computed by the code are the absorption spatial distributions of aerosol and molecules, together with the related atmospheric transmittances. Moreover, simulation of of Lidar experiments are foreseen by the code, the source and telescope fields of view being assigned. To build-up the appropriate probability distributions, an input data library is assumed to be read by the code. For this purpose the radiance-transmittance LOWTRAN-7 code has been conveniently adapted as a source of the library so as to exploit the richness of information of the code for a large variety of atmospheric simulations. Results of applications of the PREMAR code are finally presented, with special reference to simulations of Lidar system and radiometer experiments carried out at the Brasimone ENEA Centre by the Environment Department
Comparison of TITAN hybrid deterministic transport code and MCNP5 for simulation of SPECT
International Nuclear Information System (INIS)
Royston, K.; Haghighat, A.; Yi, C.
2010-01-01
Traditionally, Single Photon Emission Computed Tomography (SPECT) simulations use Monte Carlo methods. The hybrid deterministic transport code TITAN has recently been applied to the simulation of a SPECT myocardial perfusion study. The TITAN SPECT simulation uses the discrete ordinates formulation in the phantom region and a simplified ray-tracing formulation outside of the phantom. A SPECT model has been created in the Monte Carlo Neutral particle (MCNP)5 Monte Carlo code for comparison. In MCNP5 the collimator is directly modeled, but TITAN instead simulates the effect of collimator blur using a circular ordinate splitting technique. Projection images created using the TITAN code are compared to results using MCNP5 for three collimator acceptance angles. Normalized projection images for 2.97 deg, 1.42 deg and 0.98 deg collimator acceptance angles had maximum relative differences of 21.3%, 11.9% and 8.3%, respectively. Visually the images are in good agreement. Profiles through the projection images were plotted to find that the TITAN results followed the shape of the MCNP5 results with some differences in magnitude. A timing comparison on 16 processors found that the TITAN code completed the calculation 382 to 2787 times faster than MCNP5. Both codes exhibit good parallel performance. (author)
Directory of Open Access Journals (Sweden)
Nam Huynh
2015-10-01
Full Text Available Agent based modelling has been widely accepted as a promising tool for urban planning purposes thanks to its capability to provide sophisticated insights into the social behaviours and the interdependencies that characterise urban systems. In this paper, we report on an agent based model, called TransMob, which explicitly simulates the mutual dynamics between demographic evolution, transport demands, housing needs and the eventual change in the average satisfaction of the residents of an urban area. The ability to reproduce such dynamics is a unique feature that has not been found in many of the like agent based models in the literature. TransMob, is constituted by six major modules: synthetic population, perceived liveability, travel diary assignment, traffic micro-simulator, residential location choice, and travel mode choice. TransMob is used to simulate the dynamics of a metropolitan area in South East of Sydney, Australia, in 2006 and 2011, with demographic evolution. The results are favourably compared against survey data for the area in 2011, therefore validating the capability of TransMob to reproduce the observed complexity of an urban area. We also report on the application of TransMob to simulate various hypothetical scenarios of urban planning policies. We conclude with discussions on current limitations of TransMob, which serve as suggestions for future developments.
Davis, Bradley; Welch, Katherine; Walsh-Hart, Sharon; Hanseman, Dennis; Petro, Michael; Gerlach, Travis; Dorlac, Warren; Collins, Jocelyn; Pritts, Timothy
2014-08-01
Critical Care Air Transport Teams (CCATTs) are a critical component of the United States Air Force evacuation paradigm. This study was conducted to assess the incidence of task saturation in simulated CCATT missions and to determine if there are predictable performance domains. Sixteen CCATTs were studied over a 6-month period. Performance was scored using a tool assessing eight domains of performance. Teams were also assessed during critical events to determine the presence or absence of task saturation and its impact on patient care. Sixteen simulated missions were reviewed and 45 crisis events identified. Task saturation was present in 22/45 (49%) of crisis events. Scoring demonstrated that task saturation was associated with poor performance in teamwork (odds ratio [OR] = 1.96), communication (OR = 2.08), and mutual performance monitoring (OR = 1.9), but not maintenance of guidelines, task management, procedural skill, and equipment management. We analyzed the effect of task saturation on adverse patient outcomes during crisis events. Adverse outcomes occurred more often when teams were task saturated as compared to non-task-saturated teams (91% vs. 23%; RR 4.1, p < 0.0001). Task saturation is observed in simulated CCATT missions. Nontechnical skills correlate with task saturation. Task saturation is associated with worsening physiologic derangements in simulated patients. Reprint & Copyright © 2014 Association of Military Surgeons of the U.S.
The programme library for numerical simulation of charged particle dynamics in transportation lines
International Nuclear Information System (INIS)
Aleksandrov, V.S.; Shevtsov, V.F.; Shirkov, G.D.; Batygin, Yu.K.
1998-01-01
The description of a PC codes library to simulate the beam transportation of charged particles is presented. The codes are realized on IBM PC in Visual Basic common interface. It is destined for the simulation and optimization of beam dynamics and based on the successive and consistent use of two methods: the momentum method of distribution functions (RMS technique) and the particle-particle method (PP-Method). The library allows to calculate the RMS parameters of electron and ion beams, passing through a set of quadrupoles, solenoids, bends, accelerating sections. The RMS code is a fast code very suitable for the first test, design and optimization of the beam line parameters. The PP code requires more time for execution but provides a high accuracy of simulation taking into account the space charge effects, aberrations and beam losses. One of the main advantages of PP code presented here is an ability to simulate a real multicomponent beam of different masses and charged states of ions from ion sources
International Nuclear Information System (INIS)
Yamazawa, H.; Ohkura, T.; Iida, T.; Chino, M.; Nagai, H.
2003-01-01
Main functions of the Numerical Environment System (NES), as a part of the Information Technology Based Laboratory (ITBL) project implemented by Japan Atomic Energy Research Institute, became available for test use purposes although the development of the system is still underway. This system consists of numerical models of meteorology and atmospheric dispersion, database necessary for model simulations, post- and pre-processors such as data conversion and visualization, and a suite of system software which provide the users with system functions through a web page access. The system utilizes calculation servers such as vector- and scalar-parallel processors for numerical model execution, a EWS which serves as a hub of the system. This system provides users in the field of nuclear emergency preparedness and atmospheric environment with easy-to-use functions of atmospheric dispersion simulations including input meteorological data preparation and visualization of simulation results. The performance of numerical models in the system was examined with observation data of long-range transported radon-222. The models in the system reproduced quite well temporal variations in the observed radon-222 concentrations in air which were caused by changes in the meteorological field in the synoptic scale. By applying the NES models in combination with the idea of backward-in-time atmospheric dispersion simulation, seasonal shift of source areas of radon-222 in the eastern Asian regions affecting the concentrations in Japan was quantitatively illustrated. (authors)
Reduced-Order Direct Numerical Simulation of Solute Transport in Porous Media
Mehmani, Yashar; Tchelepi, Hamdi
2017-11-01
Pore-scale models are an important tool for analyzing fluid dynamics in porous materials (e.g., rocks, soils, fuel cells). Current direct numerical simulation (DNS) techniques, while very accurate, are computationally prohibitive for sample sizes that are statistically representative of the porous structure. Reduced-order approaches such as pore-network models (PNM) aim to approximate the pore-space geometry and physics to remedy this problem. Predictions from current techniques, however, have not always been successful. This work focuses on single-phase transport of a passive solute under advection-dominated regimes and delineates the minimum set of approximations that consistently produce accurate PNM predictions. Novel network extraction (discretization) and particle simulation techniques are developed and compared to high-fidelity DNS simulations for a wide range of micromodel heterogeneities and a single sphere pack. Moreover, common modeling assumptions in the literature are analyzed and shown that they can lead to first-order errors under advection-dominated regimes. This work has implications for optimizing material design and operations in manufactured (electrodes) and natural (rocks) porous media pertaining to energy systems. This work was supported by the Stanford University Petroleum Research Institute for Reservoir Simulation (SUPRI-B).
Waltz, R. E.; Waelbroeck, F. L.
2012-03-01
Static external resonant magnetic perturbations (RMPs) have been added to the δf gyrokinetic code GYRO. This allows nonlinear gyrokinetic simulations of the nonambipolar radial current flow jr and the corresponding plasma torque (density) R[jrBθ/c], induced by islands that break the toroidal symmetry of a tokamak. This extends previous GYRO simulations for the transport of toroidal angular momentum (TAM) [1,2]. The focus is on full torus radial slice electrostatic simulations of induced q=m/n=6/3 islands with widths 5% of the minor radius. The island torque scales with the radial electric field Er the island width w, and the intensity I of the high-n micro-turbulence, as wErI^1/2. The net island torque is null at zero Er rather than at zero toroidal rotation. This means that there is a small co-directed magnetic acceleration to the small diamagnetic co-rotation corresponding to the zero Er which can be called the residual stress [2] from an externally induced island. Finite-beta GYRO simulations of a core radial slice demonstrate island unlocking and the RMP screening. 6pt[1] R.E. Waltz, et al., Phys. Plasmas 14, 122507 (2007). [2] R.E. Waltz, et al., Phys. Plasmas 18, 042504 (2011).
Energy Technology Data Exchange (ETDEWEB)
Heidaryan, E. [Islamic Azad Univ., Tehran (Iran, Islamic Republic of). Masjidosolayman Branch; Enayati, M.; Mokhtari, B. [Iranian Offshore Oil Co., Tehran (Iran, Islamic Republic of)
2008-07-01
Over long time periods, geological sequestration in some systems shows mineralization effects or mineral sequestration of carbon dioxide, converting the carbon dioxide to a less mobile form. However, a detailed investigation of these geological systems is needed before disposing of carbon dioxide into these formations. Depleted oil and gas reservoirs and underground aquifers are proposed candidates for carbon dioxide injection. This paper presented an experimental investigation into the reactive transport module for handling aquifer sequestration of carbon dioxide and modeling of simultaneous geochemical reactions. Two cases of laboratory carbon dioxide sequestration experiments, conducted for different rock systems were modeled using the fully coupled geochemical compositional simulator. The relevant permeability relationships were compared to determine the best fit with the experimental results. The paper discussed the theory of modeling; geochemical reactions and mineral trapping of carbon dioxide; and application simulator for modeling including the remodeling of flow experiments. It was concluded that simulated changes in porosity and permeability could mimic experimental results to some extent. The study satisfactorily simulated the results of experimental observations and permeability results could be improved if the Kozeny-Carman equation was replaced by the Civan power law. 6 refs., 2 tabs., 21 figs.
SciDAC GSEP: Gyrokinetic Simulation of Energetic Particle Turbulence and Transport
Energy Technology Data Exchange (ETDEWEB)
Lin, Zhihong [Univ. of California, Irvine, CA (United States)
2017-12-30
Energetic particle (EP) confinement is a key physics issue for burning plasma experiment ITER, the crucial next step in the quest for clean and abundant energy, since ignition relies on self-heating by energetic fusion products (α-particles). Due to the strong coupling of EP with burning thermal plasmas, plasma confinement property in the ignition regime is one of the most uncertain factors when extrapolating from existing fusion devices to the ITER tokamak. EP population in current tokamaks are mostly produced by auxiliary heating such as neutral beam injection (NBI) and radio frequency (RF) heating. Remarkable progress in developing comprehensive EP simulation codes and understanding basic EP physics has been made by two concurrent SciDAC EP projects GSEP funded by the Department of Energy (DOE) Office of Fusion Energy Science (OFES), which have successfully established gyrokinetic turbulence simulation as a necessary paradigm shift for studying the EP confinement in burning plasmas. Verification and validation have rapidly advanced through close collaborations between simulation, theory, and experiment. Furthermore, productive collaborations with computational scientists have enabled EP simulation codes to effectively utilize current petascale computers and emerging exascale computers. We review here key physics progress in the GSEP projects regarding verification and validation of gyrokinetic simulations, nonlinear EP physics, EP coupling with thermal plasmas, and reduced EP transport models. Advances in high performance computing through collaborations with computational scientists that enable these large scale electromagnetic simulations are also highlighted. These results have been widely disseminated in numerous peer-reviewed publications including many Phys. Rev. Lett. papers and many invited presentations at prominent fusion conferences such as the biennial International Atomic Energy Agency (IAEA) Fusion Energy Conference and the annual meeting of the
Directory of Open Access Journals (Sweden)
Volodymyr O. Sistuk
2016-05-01
Full Text Available The prospect of training quality improving of bachelors and masters in «Automobile transport» and «Transport technologies» specialties was considered, basing on the use of simulation software in the educational process. A review of the software products market was prepared, with the result of the component PTV VISSIM pre-selection. The simulation model of a real crossroad was developed to demonstrate its capabilities. Based on the analysis of application functions aptness to the city transport network complex objects simulation requirements, the expediency of the solution use during vocational certificate credit courses of students of Transport Faculty of Kryvyi Rih National University was grounded.
Ranjan, R.; Menon, S.
2018-04-01
The two-level simulation (TLS) method evolves both the large-and the small-scale fields in a two-scale approach and has shown good predictive capabilities in both isotropic and wall-bounded high Reynolds number (Re) turbulent flows in the past. Sensitivity and ability of this modelling approach to predict fundamental features (such as backscatter, counter-gradient turbulent transport, small-scale vorticity, etc.) seen in high Re turbulent flows is assessed here by using two direct numerical simulation (DNS) datasets corresponding to a forced isotropic turbulence at Taylor's microscale-based Reynolds number Reλ ≈ 433 and a fully developed turbulent flow in a periodic channel at friction Reynolds number Reτ ≈ 1000. It is shown that TLS captures the dynamics of local co-/counter-gradient transport and backscatter at the requisite scales of interest. These observations are further confirmed through a posteriori investigation of the flow in a periodic channel at Reτ = 2000. The results reveal that the TLS method can capture both the large- and the small-scale flow physics in a consistent manner, and at a reduced overall cost when compared to the estimated DNS or wall-resolved LES cost.
International Nuclear Information System (INIS)
Cao, Duc; Moses, Gregory; Delettrez, Jacques
2015-01-01
An implicit, non-local thermal conduction algorithm based on the algorithm developed by Schurtz, Nicolai, and Busquet (SNB) [Schurtz et al., Phys. Plasmas 7, 4238 (2000)] for non-local electron transport is presented and has been implemented in the radiation-hydrodynamics code DRACO. To study the model's effect on DRACO's predictive capability, simulations of shot 60 303 from OMEGA are completed using the iSNB model, and the computed shock speed vs. time is compared to experiment. Temperature outputs from the iSNB model are compared with the non-local transport model of Goncharov et al. [Phys. Plasmas 13, 012702 (2006)]. Effects on adiabat are also examined in a polar drive surrogate simulation. Results show that the iSNB model is not only capable of flux-limitation but also preheat prediction while remaining numerically robust and sacrificing little computational speed. Additionally, the results provide strong incentive to further modify key parameters within the SNB theory, namely, the newly introduced non-local mean free path. This research was supported by the Laboratory for Laser Energetics of the University of Rochester
Energy Technology Data Exchange (ETDEWEB)
Cao, Duc; Moses, Gregory [University of Wisconsin—Madison, 1500 Engineering Drive, Madison, Wisconsin 53706 (United States); Delettrez, Jacques [Laboratory for Laser Energetics of the University of Rochester, 250 East River Road, Rochester, New York 14623 (United States)
2015-08-15
An implicit, non-local thermal conduction algorithm based on the algorithm developed by Schurtz, Nicolai, and Busquet (SNB) [Schurtz et al., Phys. Plasmas 7, 4238 (2000)] for non-local electron transport is presented and has been implemented in the radiation-hydrodynamics code DRACO. To study the model's effect on DRACO's predictive capability, simulations of shot 60 303 from OMEGA are completed using the iSNB model, and the computed shock speed vs. time is compared to experiment. Temperature outputs from the iSNB model are compared with the non-local transport model of Goncharov et al. [Phys. Plasmas 13, 012702 (2006)]. Effects on adiabat are also examined in a polar drive surrogate simulation. Results show that the iSNB model is not only capable of flux-limitation but also preheat prediction while remaining numerically robust and sacrificing little computational speed. Additionally, the results provide strong incentive to further modify key parameters within the SNB theory, namely, the newly introduced non-local mean free path. This research was supported by the Laboratory for Laser Energetics of the University of Rochester.
Non-local electron transport validation using 2D DRACO simulations
Cao, Duc; Chenhall, Jeff; Moll, Eli; Prochaska, Alex; Moses, Gregory; Delettrez, Jacques; Collins, Tim
2012-10-01
Comparison of 2D DRACO simulations, using a modified versionfootnotetextprivate communications with M. Marinak and G. Zimmerman, LLNL. of the Schurtz, Nicolai and Busquet (SNB) algorithmfootnotetextSchurtz, Nicolai and Busquet, ``A nonlocal electron conduction model for multidimensional radiation hydrodynamics codes,'' Phys. Plasmas 7, 4238(2000). for non-local electron transport, with direct drive shock timing experimentsfootnotetextT. Boehly, et. al., ``Multiple spherically converging shock waves in liquid deuterium,'' Phys. Plasmas 18, 092706(2011). and with the Goncharov non-local modelfootnotetextV. Goncharov, et. al., ``Early stage of implosion in inertial confinement fusion: Shock timing and perturbation evolution,'' Phys. Plasmas 13, 012702(2006). in 1D LILAC will be presented. Addition of an improved SNB non-local electron transport algorithm in DRACO allows direct drive simulations with no need for an electron conduction flux limiter. Validation with shock timing experiments that mimic the laser pulse profile of direct drive ignition targets gives a higher confidence level in the predictive capability of the DRACO code. This research was supported by the University of Rochester Laboratory for Laser Energetics.
Directory of Open Access Journals (Sweden)
Mohamed F. El-Amin
2018-01-01
Full Text Available Natural gas exists in considerable quantities in tight reservoirs. Tight formations are rocks with very tiny or poorly connected pors that make flow through them very difficult, i.e., the permeability is very low. The mixed finite element method (MFEM, which is locally conservative, is suitable to simulate the flow in porous media. This paper is devoted to developing a mixed finite element (MFE technique to simulate the gas transport in low permeability reservoirs. The mathematical model, which describes gas transport in low permeability formations, contains slippage effect, as well as adsorption and diffusion mechanisms. The apparent permeability is employed to represent the slippage effect in low-permeability formations. The gas adsorption on the pore surface has been described by Langmuir isotherm model, while the Peng-Robinson equation of state is used in the thermodynamic calculations. Important compatibility conditions must hold to guarantee the stability of the mixed method by adding additional constraints to the numerical discretization. The stability conditions of the MFE scheme has been provided. A theorem and three lemmas on the stability analysis of the mixed finite element method (MFEM have been established and proven. A semi-implicit scheme is developed to solve the governing equations. Numerical experiments are carried out under various values of the physical parameters.
Cao, Duc; Moses, Gregory; Delettrez, Jacques
2015-08-01
An implicit, non-local thermal conduction algorithm based on the algorithm developed by Schurtz, Nicolai, and Busquet (SNB) [Schurtz et al., Phys. Plasmas 7, 4238 (2000)] for non-local electron transport is presented and has been implemented in the radiation-hydrodynamics code DRACO. To study the model's effect on DRACO's predictive capability, simulations of shot 60 303 from OMEGA are completed using the iSNB model, and the computed shock speed vs. time is compared to experiment. Temperature outputs from the iSNB model are compared with the non-local transport model of Goncharov et al. [Phys. Plasmas 13, 012702 (2006)]. Effects on adiabat are also examined in a polar drive surrogate simulation. Results show that the iSNB model is not only capable of flux-limitation but also preheat prediction while remaining numerically robust and sacrificing little computational speed. Additionally, the results provide strong incentive to further modify key parameters within the SNB theory, namely, the newly introduced non-local mean free path. This research was supported by the Laboratory for Laser Energetics of the University of Rochester.
Energy Technology Data Exchange (ETDEWEB)
Lu, Tianfeng [Univ. of Connecticut, Storrs, CT (United States)
2017-02-16
The goal of the proposed research is to create computational flame diagnostics (CFLD) that are rigorous numerical algorithms for systematic detection of critical flame features, such as ignition, extinction, and premixed and non-premixed flamelets, and to understand the underlying physicochemical processes controlling limit flame phenomena, flame stabilization, turbulence-chemistry interactions and pollutant emissions etc. The goal has been accomplished through an integrated effort on mechanism reduction, direct numerical simulations (DNS) of flames at engine conditions and a variety of turbulent flames with transport fuels, computational diagnostics, turbulence modeling, and DNS data mining and data reduction. The computational diagnostics are primarily based on the chemical explosive mode analysis (CEMA) and a recently developed bifurcation analysis using datasets from first-principle simulations of 0-D reactors, 1-D laminar flames, and 2-D and 3-D DNS (collaboration with J.H. Chen and S. Som at Argonne, and C.S. Yoo at UNIST). Non-stiff reduced mechanisms for transportation fuels amenable for 3-D DNS are developed through graph-based methods and timescale analysis. The flame structures, stabilization mechanisms, local ignition and extinction etc., and the rate controlling chemical processes are unambiguously identified through CFLD. CEMA is further employed to segment complex turbulent flames based on the critical flame features, such as premixed reaction fronts, and to enable zone-adaptive turbulent combustion modeling.
Chung, Christopher A.; Marwaha, Shweta
2005-01-01
This paper describes an interactive multimedia simulator for air transportation bomb threat training. The objective of this project is to improve the air transportation sector s capability to respond to bomb threats received by commercial airports and aircraft. The simulator provides realistic training on receiving and responding to a variety of bomb threats that might not otherwise be possible due to time, cost, or operational constraints. Validation analysis indicates that the use of the simulator resulted in statistically significant increases in individual ability to respond to these types of bomb threats.
Directory of Open Access Journals (Sweden)
Shalini Kurapati
2018-02-01
Full Text Available Synchromodality is described as a network of well-synchronised and interconnected transportation modes. One of the most important advantages of synchromodality is the development of a sustainable transportation system. Given the numerous stakeholders and network interdependencies within freight transport corridors, achieving efficient coordination and management is complex. In this paper, we regard information exchange as one of the main enablers of collaboration between the infrastructure managers. We developed a digital single-player simulation game called “Modal Manager” comprising logistic service providers and infrastructure managers. Each player takes over the role of an infrastructure manager who must use information provision as a tool to control flows in a network where various planned and unplanned disruptions occur. We include the game in a session where participants are able to interact with the game and with each other. The first gameplay session with Dutch experts revealed that infrastructure managers perceive synchromodality as a way to cope with disruptions more efficiently. On the other hand, the concept of synchromodal corridor management is ambiguous and various legal and governance barriers exist that hinder its implementation.
New capabilities for Monte Carlo simulation of deuteron transport and secondary products generation
International Nuclear Information System (INIS)
Sauvan, P.; Sanz, J.; Ogando, F.
2010-01-01
Several important research programs are dedicated to the development of facilities based on deuteron accelerators. In designing these facilities, the definition of a validated computational approach able to simulate deuteron transport and evaluate deuteron interactions and production of secondary particles with acceptable precision is a very important issue. Current Monte Carlo codes, such as MCNPX or PHITS, when applied for deuteron transport calculations use built-in semi-analytical models to describe deuteron interactions. These models are found unreliable in predicting neutron and photon generated by low energy deuterons, typically present in those facilities. We present a new computational tool, resulting from an extension of the MCNPX code, which improve significantly the treatment of problems where any secondary product (neutrons, photons, tritons, etc.) generated by low energy deuterons reactions could play a major role. Firstly, it handles deuteron evaluated data libraries, which allow describing better low deuteron energy interactions. Secondly, it includes a reduction variance technique for production of secondary particles by charged particle-induced nuclear interactions, which allow reducing drastically the computing time needed in transport and nuclear response calculations. Verification of the computational tool is successfully achieved. This tool can be very helpful in addressing design issues such as selection of the dedicated neutron production target and accelerator radioprotection analysis. It can be also helpful to test the deuteron cross-sections under development in the frame of different international nuclear data programs.
International Nuclear Information System (INIS)
Warren, Kevin; Reed, Robert; Weller, Robert; Mendenhall, Marcus; Sierawski, Brian; Schrimpf, Ronald
2011-01-01
MRED (Monte Carlo Radiative Energy Deposition) is Vanderbilt University's Geant4 application for simulating radiation events in semiconductors. Geant4 is comprised of the best available computational physics models for the transport of radiation through matter. In addition to basic radiation transport physics contained in the Geant4 core, MRED has the capability to track energy loss in tetrahedral geometric objects, includes a cross section biasing and track weighting technique for variance reduction, and additional features relevant to semiconductor device applications. The crucial element of predicting Single Event Upset (SEU) parameters using radiation transport software is the creation of a dosimetry model that accurately approximates the net collected charge at transistor contacts as a function of deposited energy. The dosimetry technique described here is the multiple sensitive volume (MSV) model. It is shown to be a reasonable approximation of the charge collection process and its parameters can be calibrated to experimental measurements of SEU cross sections. The MSV model, within the framework of MRED, is examined for heavy ion and high-energy proton SEU measurements of a static random access memory.
Monte Carlo simulation of ballistic transport in high-mobility channels
Energy Technology Data Exchange (ETDEWEB)
Sabatini, G; Marinchio, H; Palermo, C; Varani, L; Daoud, T; Teissier, R [Institut d' Electronique du Sud (CNRS UMR 5214) - Universite Montpellier II (France); Rodilla, H; Gonzalez, T; Mateos, J, E-mail: sabatini@ies.univ-montp2.f [Departamento de Fisica Aplicada - Universidad de Salamanca (Spain)
2009-11-15
By means of Monte Carlo simulations coupled with a two-dimensional Poisson solver, we evaluate directly the possibility to use high mobility materials in ultra fast devices exploiting ballistic transport. To this purpose, we have calculated specific physical quantities such as the transit time, the transit velocity, the free flight time and the mean free path as functions of applied voltage in InAs channels with different lengths, from 2000 nm down to 50 nm. In this way the transition from diffusive to ballistic transport is carefully described. We remark a high value of the mean transit velocity with a maximum of 14x10{sup 5} m/s for a 50 nm-long channel and a transit time shorter than 0.1 ps, corresponding to a cutoff frequency in the terahertz domain. The percentage of ballistic electrons and the number of scatterings as functions of distance are also reported, showing the strong influence of quasi-ballistic transport in the shorter channels.
Monte Carlo simulation of ballistic transport in high-mobility channels
International Nuclear Information System (INIS)
Sabatini, G; Marinchio, H; Palermo, C; Varani, L; Daoud, T; Teissier, R; Rodilla, H; Gonzalez, T; Mateos, J
2009-01-01
By means of Monte Carlo simulations coupled with a two-dimensional Poisson solver, we evaluate directly the possibility to use high mobility materials in ultra fast devices exploiting ballistic transport. To this purpose, we have calculated specific physical quantities such as the transit time, the transit velocity, the free flight time and the mean free path as functions of applied voltage in InAs channels with different lengths, from 2000 nm down to 50 nm. In this way the transition from diffusive to ballistic transport is carefully described. We remark a high value of the mean transit velocity with a maximum of 14x10 5 m/s for a 50 nm-long channel and a transit time shorter than 0.1 ps, corresponding to a cutoff frequency in the terahertz domain. The percentage of ballistic electrons and the number of scatterings as functions of distance are also reported, showing the strong influence of quasi-ballistic transport in the shorter channels.
Integrated Radiation Transport and Nuclear Fuel Performance for Assembly-Level Simulations
Energy Technology Data Exchange (ETDEWEB)
Clarno, Kevin T [ORNL; Hamilton, Steven P [ORNL; Philip, Bobby [ORNL; Berrill, Mark A [ORNL; Sampath, Rahul S [ORNL; Allu, Srikanth [ORNL; Pugmire, Dave [ORNL; Dilts, Gary [Los Alamos National Laboratory (LANL); Banfield, James E [ORNL
2012-02-01
The Advanced Multi-Physics (AMP) Nuclear Fuel Performance code (AMPFuel) is focused on predicting the temperature and strain within a nuclear fuel assembly to evaluate the performance and safety of existing and advanced nuclear fuel bundles within existing and advanced nuclear reactors. AMPFuel was extended to include an integrated nuclear fuel assembly capability for (one-way) coupled radiation transport and nuclear fuel assembly thermo-mechanics. This capability is the initial step toward incorporating an improved predictive nuclear fuel assembly modeling capability to accurately account for source-terms and boundary conditions of traditional (single-pin) nuclear fuel performance simulation, such as the neutron flux distribution, coolant conditions, and assembly mechanical stresses. A novel scheme is introduced for transferring the power distribution from the Scale/Denovo (Denovo) radiation transport code (structured, Cartesian mesh with smeared materials within each cell) to AMPFuel (unstructured, hexagonal mesh with a single material within each cell), allowing the use of a relatively coarse spatial mesh (10 million elements) for the radiation transport and a fine spatial mesh (3.3 billion elements) for thermo-mechanics with very little loss of accuracy. In addition, a new nuclear fuel-specific preconditioner was developed to account for the high aspect ratio of each fuel pin (12 feet axially, but 1 4 inches in diameter) with many individual fuel regions (pellets). With this novel capability, AMPFuel was used to model an entire 17 17 pressurized water reactor fuel assembly with many of the features resolved in three dimensions (for thermo-mechanics and/or neutronics), including the fuel, gap, and cladding of each of the 264 fuel pins; the 25 guide tubes; the top and bottom structural regions; and the upper and lower (neutron) reflector regions. The final, full assembly calculation was executed on Jaguar using 40,000 cores in under 10 hours to model over 162
A hybrid transport-diffusion method for Monte Carlo radiative-transfer simulations
International Nuclear Information System (INIS)
Densmore, Jeffery D.; Urbatsch, Todd J.; Evans, Thomas M.; Buksas, Michael W.
2007-01-01
Discrete Diffusion Monte Carlo (DDMC) is a technique for increasing the efficiency of Monte Carlo particle-transport simulations in diffusive media. If standard Monte Carlo is used in such media, particle histories will consist of many small steps, resulting in a computationally expensive calculation. In DDMC, particles take discrete steps between spatial cells according to a discretized diffusion equation. Each discrete step replaces many small Monte Carlo steps, thus increasing the efficiency of the simulation. In addition, given that DDMC is based on a diffusion equation, it should produce accurate solutions if used judiciously. In practice, DDMC is combined with standard Monte Carlo to form a hybrid transport-diffusion method that can accurately simulate problems with both diffusive and non-diffusive regions. In this paper, we extend previously developed DDMC techniques in several ways that improve the accuracy and utility of DDMC for nonlinear, time-dependent, radiative-transfer calculations. The use of DDMC in these types of problems is advantageous since, due to the underlying linearizations, optically thick regions appear to be diffusive. First, we employ a diffusion equation that is discretized in space but is continuous in time. Not only is this methodology theoretically more accurate than temporally discretized DDMC techniques, but it also has the benefit that a particle's time is always known. Thus, there is no ambiguity regarding what time to assign a particle that leaves an optically thick region (where DDMC is used) and begins transporting by standard Monte Carlo in an optically thin region. Also, we treat the interface between optically thick and optically thin regions with an improved method, based on the asymptotic diffusion-limit boundary condition, that can produce accurate results regardless of the angular distribution of the incident Monte Carlo particles. Finally, we develop a technique for estimating radiation momentum deposition during the
Hall-Effect Thruster Simulations with 2-D Electron Transport and Hydrodynamic Ions
Mikellides, Ioannis G.; Katz, Ira; Hofer, Richard H.; Goebel, Dan M.
2009-01-01
A computational approach that has been used extensively in the last two decades for Hall thruster simulations is to solve a diffusion equation and energy conservation law for the electrons in a direction that is perpendicular to the magnetic field, and use discrete-particle methods for the heavy species. This "hybrid" approach has allowed for the capture of bulk plasma phenomena inside these thrusters within reasonable computational times. Regions of the thruster with complex magnetic field arrangements (such as those near eroded walls and magnets) and/or reduced Hall parameter (such as those near the anode and the cathode plume) challenge the validity of the quasi-one-dimensional assumption for the electrons. This paper reports on the development of a computer code that solves numerically the 2-D axisymmetric vector form of Ohm's law, with no assumptions regarding the rate of electron transport in the parallel and perpendicular directions. The numerical challenges related to the large disparity of the transport coefficients in the two directions are met by solving the equations in a computational mesh that is aligned with the magnetic field. The fully-2D approach allows for a large physical domain that extends more than five times the thruster channel length in the axial direction, and encompasses the cathode boundary. Ions are treated as an isothermal, cold (relative to the electrons) fluid, accounting for charge-exchange and multiple-ionization collisions in the momentum equations. A first series of simulations of two Hall thrusters, namely the BPT-4000 and a 6-kW laboratory thruster, quantifies the significance of ion diffusion in the anode region and the importance of the extended physical domain on studies related to the impact of the transport coefficients on the electron flow field.
Improved core-edge tokamak transport simulations with the CORSICA 2 code
International Nuclear Information System (INIS)
Tarditi, A.; Cohen, R.H.; Crotinger, J.A.
1996-01-01
The CORSICA 2 code models the nonlinear transport between the core and the edge of a tokamak plasma. The code couples a 2D axisymmetric edge/SOL model (UEDGE) to a 1D model for the radial core transport in toroidal flux coordinates (the transport module from the CORSICA 1 code). The core density and temperature profiles are joined to the flux-surface average profiles from the 2D code sufficiently inside the magnetic separatrix, at a flux surface on which the edge profiles are approximately constant. In the present version of the code, the deuterium density and electron and ion temperatures are coupled. The electron density is determined by imposing quasi-neutrality, both in the core and in the edge. The model allows the core-edge coupling of multiple ion densities while retaining a single temperature (corresponding to the equilibration value) for the all ion species. Applications of CORSICA 2 to modeling the DIII-D tokamak are discussed. This work will focus on the simulation of the L-H transition, coupling a single ion species (deuterium) and the two (electron and ion) temperatures. These simulations will employ a new self-consistent model for the L-H transition that is being implemented in the UEDGE code. Applications to the modeling of ITER ignition scenarios are also discussed. This will involve coupling a second density species (the thermal alphas), bringing the total number of coupled variables up to four. Finally, the progress in evolving the magnetic geometry is discussed. Currently, this geometry is calculated by CORSICA's MHD equilibrium module (TEQ) at the beginning of the run and fixed thereafter. However, CORSICA 1 can evolve this geometry quasistatically, and this quasistatic treatment is being extended to include the edge/SOL geometry. Recent improvements for code speed-up are also presented
Cao, Duc; Moses, Gregory; Delettrez, Jacques; Collins, Timothy
2014-10-01
A design process is presented for the nonlocal thermal transport iSNB (implicit Schurtz, Nicolai, and Busquet) model to provide reliable nonlocal thermal transport in polar-drive ICF simulations. Results from the iSNB model are known to be sensitive to changes in the SNB ``mean free path'' formula, and the latter's original form required modification to obtain realistic preheat levels. In the presented design process, SNB mean free paths are first modified until the model can match temperatures from Goncharov's thermal transport model in 1D temperature relaxation simulations. Afterwards the same mean free paths are tested in a 1D polar-drive surrogate simulation to match adiabats from Goncharov's model. After passing the two previous steps, the model can then be run in a full 2D polar-drive simulation. This research is supported by the University of Rochester Laboratory for Laser Energetics.
International Nuclear Information System (INIS)
Roncali, Emilie; Schmall, Jeffrey P; Viswanath, Varsha; Berg, Eric; Cherry, Simon R
2014-01-01
Current developments in positron emission tomography focus on improving timing performance for scanners with time-of-flight (TOF) capability, and incorporating depth-of-interaction (DOI) information. Recent studies have shown that incorporating DOI correction in TOF detectors can improve timing resolution, and that DOI also becomes more important in long axial field-of-view scanners. We have previously reported the development of DOI-encoding detectors using phosphor-coated scintillation crystals; here we study the timing properties of those crystals to assess the feasibility of providing some level of DOI information without significantly degrading the timing performance. We used Monte Carlo simulations to provide a detailed understanding of light transport in phosphor-coated crystals which cannot be fully characterized experimentally. Our simulations used a custom reflectance model based on 3D crystal surface measurements. Lutetium oxyorthosilicate crystals were simulated with a phosphor coating in contact with the scintillator surfaces and an external diffuse reflector (teflon). Light output, energy resolution, and pulse shape showed excellent agreement with experimental data obtained on 3 × 3 × 10 mm 3 crystals coupled to a photomultiplier tube. Scintillator intrinsic timing resolution was simulated with head-on and side-on configurations, confirming the trends observed experimentally. These results indicate that the model may be used to predict timing properties in phosphor-coated crystals and guide the coating for optimal DOI resolution/timing performance trade-off for a given crystal geometry. Simulation data suggested that a time stamp generated from early photoelectrons minimizes degradation of the timing resolution, thus making this method potentially more useful for TOF-DOI detectors than our initial experiments suggested. Finally, this approach could easily be extended to the study of timing properties in other scintillation crystals, with a
Pore-scale and Continuum Simulations of Solute Transport Micromodel Benchmark Experiments
Energy Technology Data Exchange (ETDEWEB)
Oostrom, Martinus; Mehmani, Yashar; Romero Gomez, Pedro DJ; Tang, Y.; Liu, H.; Yoon, Hongkyu; Kang, Qinjun; Joekar Niasar, Vahid; Balhoff, Matthew; Dewers, T.; Tartakovsky, Guzel D.; Leist, Emily AE; Hess, Nancy J.; Perkins, William A.; Rakowski, Cynthia L.; Richmond, Marshall C.; Serkowski, John A.; Werth, Charles J.; Valocchi, Albert J.; Wietsma, Thomas W.; Zhang, Changyong
2016-08-01
Four sets of micromodel nonreactive solute transport experiments were conducted with flow velocity, grain diameter, pore-aspect ratio, and flow focusing heterogeneity as the variables. The data sets were offered to pore-scale modeling groups to test their simulators. Each set consisted of two learning experiments, for which all results was made available, and a challenge experiment, for which only the experimental description and base input parameters were provided. The experimental results showed a nonlinear dependence of the dispersion coefficient on the Peclet number, a negligible effect of the pore-aspect ratio on transverse mixing, and considerably enhanced mixing due to flow focusing. Five pore-scale models and one continuum-scale model were used to simulate the experiments. Of the pore-scale models, two used a pore-network (PN) method, two others are based on a lattice-Boltzmann (LB) approach, and one employed a computational fluid dynamics (CFD) technique. The learning experiments were used by the PN models to modify the standard perfect mixing approach in pore bodies into approaches to simulate the observed incomplete mixing. The LB and CFD models used these experiments to appropriately discretize the grid representations. The continuum model use published non-linear relations between transverse dispersion coefficients and Peclet numbers to compute the required dispersivity input values. Comparisons between experimental and numerical results for the four challenge experiments show that all pore-scale models were all able to satisfactorily simulate the experiments. The continuum model underestimated the required dispersivity values and, resulting in less dispersion. The PN models were able to complete the simulations in a few minutes, whereas the direct models needed up to several days on supercomputers to resolve the more complex problems.
Fluid simulations of ∇Te-driven turbulence and transport in boundary plasmas
International Nuclear Information System (INIS)
Xu, X.Q.; Cohen, R.H.
1993-01-01
This paper is a report on simulations of a new drift wave type instability driven by the electron temperature gradient in tokamak scrapeoff-layers (SOL). A 2D(x,y) fluid code has been developed in order to explore the anomalous transport in the boundary plasmas. The simulation consists of a set of fluid equations (in the electrostatic limit) for the vorticity ∇ perpendicular 2 φ, the electron density n e and the temperature T e in a shearless plasma slab confined by a uniform, straight magnetic field B z with two diverter (or limiter) plates intercepting the magnetic field. The model has two regions separated by a magnetic separatrix: in the edge region inside the separatrix, the model is periodic along the magnetic field while in the SOL region outside the separatrix, the magnetic field is taken to be of finite length with model (logical sheath) boundary conditions at diverter (or limiter) plates. The simulation results show that the observed linear instability agrees well with theory, and that a saturated state of turbulence is reached. In saturated turbulence, clear evidence of the expected long-wavelength mode penetration into the edge is seen, an inverse cascade of wave energy (toward both long wavelengths and low frequencies) is observed. The simulation results also show that amplitudes of potential and the electron temperature fluctuations are somewhat above and the heat flux are somewhat below those of the simplest mixing-length estimates. The results from the self-consistent simulations to determine the microturbulent SOL electron temperature profile agree reasonably with the experimental measurements. The effects on the mode of neutral gas collisions at the divertor sheath and comparisons with the ionization driven turbulence are discussed
Simulating Landscape Sediment Transport Capacity by Using a Modified SWAT Model.
Bonumá, Nadia B; Rossi, Colleen G; Arnold, Jeffrey G; Reichert, José M; Minella, Jean P; Allen, Peter M; Volk, Martin
2014-01-01
Sediment delivery from hillslopes to rivers is spatially variable and may lead to long-term delays between initial erosion and related sediment yield at the watershed outlet. Consideration of spatial variability is important for developing sound strategies for water quality improvement and soil protection at the watershed scale. Hence, the Soil and Water Assessment Tool (SWAT) was modified and tested in this study to simulate the landscape transport capacity of sediment. The study area was the steeply sloped Arroio Lino watershed in southern Brazil. Observed sediment yield data at the watershed outlet were used to calibrate and validate a modified SWAT model. For the calibration period, the modified model performed better than the unaltered SWAT2009 version; the models achieved Nash-Sutcliffe efficiency (NSE) values of 0.7 and -0.1, respectively. Nash-Sutcliffe efficiencies were less for the validation period, but the modified model's NSE was higher than the unaltered model (-1.4 and -12.1, respectively). Despite the relatively low NSE values, the results of this first test are promising because the model modifications lowered the percent bias in sediment yield from 73 to 18%. Simulation results for the modified model indicated that approximately 60% of the mobilized soil is deposited along the landscape before it reaches the river channels. This research demonstrates the modified model's ability to simulate sediment yield in watersheds with steep slopes. The results suggest that integration of the sediment deposition routine in SWAT increases accuracy in steeper areas while significantly improving its ability to predict the spatial distribution of sediment deposition areas. Further work is needed regarding (i) improved strategies for spatially distributed sediment transport measurements (for improving process knowledge and model evaluation) and (ii) extensive model tests in other well instrumented experimental watersheds with differing topographic configurations
International Nuclear Information System (INIS)
Bacon, Diana H.; White, Mark D.; McGrail, B PETER
2004-01-01
The U.S. Department of Energy must approve a performance assessment (PA) to support the design, construction, approval, and closure of disposal facilities for immobilized low-activity waste (ILAW) currently stored in underground tanks at Hanford, Washington. A critical component of the PA is to provide quantitative estimates of radionuclide release rates from the engineered portion of the disposal facilities. Computer simulations are essential for this purpose because impacts on groundwater resources must be projected to periods of 10,000 years and longer. The computer code selected for simulating the radionuclide release rates is the Subsurface Transport Over Reactiv