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Sample records for microbial transport simulator

  1. A generic transport-reactive model for simulating microbially influenced mineral precipitation in porous medium

    NARCIS (Netherlands)

    Zhou, J.; Van Turnhout, A.G.; Heimovaara, T.J.; Afanasyev, M.

    2015-01-01

    The spatial and temporal distribution of precipitated minerals is one of the key factors governing various processes in the sub-surface environment, including microbially influenced corrosion (MIC) (Huang, 2002), bio-cementation (van Paassen et al., 2010) and sediment diagenesis (Paraska et al.,

  2. Accumulation and transport of microbial-size particles in a pressure protected model burn unit: CFD simulations and experimental evidence

    Directory of Open Access Journals (Sweden)

    Mimoun Maurice

    2011-03-01

    Full Text Available Abstract Background Controlling airborne contamination is of major importance in burn units because of the high susceptibility of burned patients to infections and the unique environmental conditions that can accentuate the infection risk. In particular the required elevated temperatures in the patient room can create thermal convection flows which can transport airborne contaminates throughout the unit. In order to estimate this risk and optimize the design of an intensive care room intended to host severely burned patients, we have relied on a computational fluid dynamic methodology (CFD. Methods The study was carried out in 4 steps: i patient room design, ii CFD simulations of patient room design to model air flows throughout the patient room, adjacent anterooms and the corridor, iii construction of a prototype room and subsequent experimental studies to characterize its performance iv qualitative comparison of the tendencies between CFD prediction and experimental results. The Electricité De France (EDF open-source software Code_Saturne® (http://www.code-saturne.org was used and CFD simulations were conducted with an hexahedral mesh containing about 300 000 computational cells. The computational domain included the treatment room and two anterooms including equipment, staff and patient. Experiments with inert aerosol particles followed by time-resolved particle counting were conducted in the prototype room for comparison with the CFD observations. Results We found that thermal convection can create contaminated zones near the ceiling of the room, which can subsequently lead to contaminate transfer in adjacent rooms. Experimental confirmation of these phenomena agreed well with CFD predictions and showed that particles greater than one micron (i.e. bacterial or fungal spore sizes can be influenced by these thermally induced flows. When the temperature difference between rooms was 7°C, a significant contamination transfer was observed to

  3. 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.)

  4. 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

  5. Kinetic modeling of microbially-driven redox chemistry of radionuclides in subsurface environments: Coupling transport, microbial metabolism and geochemistry

    Energy Technology Data Exchange (ETDEWEB)

    WANG,YIFENG; PAPENGUTH,HANS W.

    2000-05-04

    Microbial degradation of organic matter is a driving force in many subsurface geochemical systems, and therefore may have significant impacts on the fate of radionuclides released into subsurface environments. In this paper, the authors present a general reaction-transport model for microbial metabolism, redox chemistry, and radionuclide migration in subsurface systems. The model explicitly accounts for biomass accumulation and the coupling of radionuclide redox reactions with major biogeochemical processes. Based on the consideration that the biomass accumulation in subsurface environments is likely to achieve a quasi-steady state, they have accordingly modified the traditional microbial growth kinetic equation. They justified the use of the biogeochemical models without the explicit representation of biomass accumulation, if the interest of modeling is in the net impact of microbial reactions on geochemical processes. They then applied their model to a scenario in which an oxic water flow containing both uranium and completing organic ligands is recharged into an oxic aquifer in a carbonate formation. The model simulation shows that uranium can be reduced and therefore immobilized in the anoxic zone created by microbial degradation.

  6. Kinetic modeling of microbially-driven redox chemistry of radionuclides in subsurface environments: Coupling transport, microbial metabolism and geochemistry

    International Nuclear Information System (INIS)

    Wang, Yifeng; Papenguth, Hans W.

    2000-01-01

    Microbial degradation of organic matter is a driving force in many subsurface geochemical systems, and therefore may have significant impacts on the fate of radionuclides released into subsurface environments. In this paper, the authors present a general reaction-transport model for microbial metabolism, redox chemistry, and radionuclide migration in subsurface systems. The model explicitly accounts for biomass accumulation and the coupling of radionuclide redox reactions with major biogeochemical processes. Based on the consideration that the biomass accumulation in subsurface environments is likely to achieve a quasi-steady state, they have accordingly modified the traditional microbial growth kinetic equation. They justified the use of the biogeochemical models without the explicit representation of biomass accumulation, if the interest of modeling is in the net impact of microbial reactions on geochemical processes. They then applied their model to a scenario in which an oxic water flow containing both uranium and completing organic ligands is recharged into an oxic aquifer in a carbonate formation. The model simulation shows that uranium can be reduced and therefore immobilized in the anoxic zone created by microbial degradation

  7. Development of a transport model for the microbial degradation of ...

    African Journals Online (AJOL)

    A mathematical model for first order reaction rate under isothermal condition was developed for predicting the diffusivity and transport rate of anthracene and pyrene during biodegradation using two microbial strains (corynebacteria spp and pseudomonas putida) in a heterogeneous porous medium. The formulation ...

  8. Microbial transport : Adaptations to natural environments

    NARCIS (Netherlands)

    Konings, W.N

    2006-01-01

    The cytoplasmic membrane of bacteria is the matrix for metabolic energy transducing processes such as proton motive force generation and solute transport. Passive permeation of protons across the cytoplasmic membrane is a crucial determinant in the proton motive generating capacity of the organisms.

  9. Microbial transport : Adaptations to natural environments

    NARCIS (Netherlands)

    Konings, W.N

    The cytoplasmic membrane of bacteria is the matrix for metabolic energy transducing processes such as proton motive force generation and solute transport. Passive permeation of protons across the cytoplasmic membrane is a crucial determinant in the proton motive generating capacity of the organisms.

  10. Development and application of the microbial fate and transport module for the Agricultural Policy/Environmental eXtender (APEX) model

    Science.gov (United States)

    Hong, E.; Park, Y.; Muirhead, R.; Jeong, J.; Pachepsky, Y. A.

    2017-12-01

    Pathogenic microorganisms in recreational and irrigation waters remain the subject of concern. Water quality models are used to estimate microbial quality of water sources, to evaluate microbial contamination-related risks, to guide the microbial water quality monitoring, and to evaluate the effect of agricultural management on the microbial water quality. The Agricultural Policy/Environmental eXtender (APEX) is the watershed-scale water quality model that includes highly detailed representation of agricultural management. The APEX currently does not have microbial fate and transport simulation capabilities. The objective of this work was to develop the first APEX microbial fate and transport module that could use the APEX conceptual model of manure removal together with recently introduced conceptualizations of the in-stream microbial fate and transport. The module utilizes manure erosion rates found in the APEX. Bacteria survival in soil-manure mixing layer was simulated with the two-stage survival model. Individual survival patterns were simulated for each manure application date. Simulated in-stream microbial fate and transport processes included the reach-scale passive release of bacteria with resuspended bottom sediment during high flow events, the transport of bacteria from bottom sediment due to the hyporheic exchange during low flow periods, the deposition with settling sediment, and the two-stage survival. Default parameter values were available from recently published databases. The APEX model with the newly developed microbial fate and transport module was applied to simulate seven years of monitoring data for the Toenepi watershed in New Zealand. Based on calibration and testing results, the APEX with the microbe module reproduced well the monitored pattern of E. coli concentrations at the watershed outlet. The APEX with the microbial fate and transport module will be utilized for predicting microbial quality of water under various agricultural

  11. Microbial Enhanced Oil Recovery - Advanced Reservoir Simulation

    DEFF Research Database (Denmark)

    Nielsen, Sidsel Marie

    the water phase. The biofilm formation implies that the concentration of bacteria near the inlet increases. In combination with surfactant production, the biofilm results in a higher surfactant concentration in the initial part of the reservoir. The oil that is initially bypassed in connection...... simulator. In the streamline simulator, the effect of gravity is introduced using an operator splitting technique. The gravity effect stabilizes oil displacement causing markedly improvement of the oil recovery, when the oil density becomes relatively low. The general characteristics found for MEOR in one......-dimensional simulations are also demonstrated both in two and three dimensions. Overall, this MEOR process conducted in a heterogeneous reservoir also produces more oil compared to waterflooding, when the simulations are run in multiple dimensions. The work presented in this thesis has resulted in two publications so far....

  12. Impact of Microbial Growth on Subsurface Perfluoroalkyl Acid Transport

    Science.gov (United States)

    Weathers, T. S.; Higgins, C. P.; Sharp, J.

    2014-12-01

    The fate and transport of poly and perfluoroalkyl substances (PFASs) in the presence of active microbial communities has not been widely investigated. These emerging contaminants are commonly utilized in aqueous film-forming foams (AFFF) and have often been detected in groundwater. This study explores the transport of a suite of perfluorocarboxylic acids and perfluoroalkylsulfonates, including perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS), in microbially active settings. Single point organic carbon normalized sorption coefficients derived by exposing inactive cellular material to PFASs result in more than an order of magnitude increase in sorption compared to soil organic carbon sorption coefficients found in literature. For example, the sorption coefficients for PFOS are 4.05±0.07 L/kg and 2.80±0.08 L/kg for cellular organic carbon and soil organic carbon respectively. This increase in sorption, coupled with enhanced extracellular polymeric substance production observed during growth of a common hydrocarbon degrading soil microbe exposed to source-level concentrations of PFASs (10 mg/L of 11 analytes, 110 mg/L total) may result in PFAS retardation in situ. To address the upscaling of this phenomenon, flow-through columns packed with low-organic carbon sediment and biostimulated with 10 mg/L glucose were exposed to PFAS concentrations from 15 μg/L to 10 mg/L of each 11 analytes. Breakthrough and tailing of each analyte was measured and modeled with Hydrus-1D to explore sorption coefficients over time for microbially active columns.

  13. Microbial Enhanced Oil Recovery: 3D Simulation with Gravity Effects

    DEFF Research Database (Denmark)

    Nielsen, Sidsel Marie; Jessen, K.; Shapiro, Alexander

    2010-01-01

    Microbial enhanced oil recovery (MEOR) utilizes the activity of microorganisms, where microorganisms simultaneously grow in a reservoir and convert substrate into recovery enhancing products (usually, surfactants). In order to predict the performance of a MEOR process, a simulation tool is required...... using an operator splitting technique. To the best of our knowledge, this has resulted in the first full 3D MEOR streamline simulator. For verification purposes, we compare results from our streamline MEOR simulator to those of a conventional finite difference approach for 1D and 2D displacement...

  14. Dynamics of Coupled Contaminant and Microbial Transport in Heterogeneous Porous Media: Purdue Component

    Energy Technology Data Exchange (ETDEWEB)

    Cushman, J.H.; Madilyn Fletcher

    2000-06-01

    Dynamic microbial attachment/detachment occurs in subsurface systems in response to changing environmental conditions caused by contaminant movement and degradation. Understanding the environmental conditions and mechanisms by which anaerobic bacteria partition between aqueous and solid phases is a critical requirement for designing and evaluating in situ bioremediation efforts. This interdisciplinary research project, of which we report only the Purdue contribution, provides fundamental information on the attachment/detachment dynamics of bacteria in heterogeneous porous media. Fundamental results from the Purdue collaboration are: (a) development of a matched-index method for obtaining 3-D Lagrangian trajectories of microbial sized particles transporting within porous media or microflow cells, (b) application of advanced numerical methods to optimally design a microflow cell for studying anaerobic bacterial attachment/detachment phenomena, (c) development of two types of models for simulating bacterial movement and attachment/detachment in microflow cells and natural porous media, (d) application of stochastic analysis to upscale pore scale microbial attachment/detachment models to natural heterogeneous porous media, and (e) evaluation of the role nonlocality plays in microbial dynamics in heterogeneous porous media

  15. Dynamics of Coupled Contaminant and Microbial Transport in Heterogeneous Porous Media: Purdue Component. Final report

    International Nuclear Information System (INIS)

    Cushman, J.H.

    2000-01-01

    Dynamic microbial attachment/detachment occurs in subsurface systems in response to changing environmental conditions caused by contaminant movement and degradation. Understanding the environmental conditions and mechanisms by which anaerobic bacteria partition between aqueous and solid phases is a critical requirement for designing and evaluating in situ bioremediation efforts. This interdisciplinary research project, of which we report only the Purdue contribution, provides fundamental information on the attachment/detachment dynamics of bacteria in heterogeneous porous media. Fundamental results from the Purdue collaboration are: (a) development of a matched-index method for obtaining 3-D Lagrangian trajectories of microbial sized particles transporting within porous media or microflow cells, (b) application of advanced numerical methods to optimally design a microflow cell for studying anaerobic bacterial attachment/detachment phenomena, (c) development of two types of models for simulating bacterial movement and attachment/detachment in microflow cells and natural porous media, (d) application of stochastic analysis to upscale pore scale microbial attachment/detachment models to natural heterogeneous porous media, and (e) evaluation of the role nonlocality plays in microbial dynamics in heterogeneous porous media

  16. Dynamics of Coupled Contaminant and Microbial Transport in Heterogeneous Porous Media: Purdue Component

    Energy Technology Data Exchange (ETDEWEB)

    Cushman, J.H.

    2000-06-01

    Dynamic microbial attachment/detachment occurs in subsurface systems in response to changing environmental conditions caused by contaminant movement and degradation. Understanding the environmental conditions and mechanisms by which anaerobic bacteria partition between aqueous and solid phases is a critical requirement for designing and evaluating in situ bioremediation efforts. This interdisciplinary research project, of which we report only the Purdue contribution, provides fundamental information on the attachment/detachment dynamics of bacteria in heterogeneous porous media. Fundamental results from the Purdue collaboration are: (a) development of a matched-index method for obtaining 3-D Lagrangian trajectories of microbial sized particles transporting within porous media or microflow cells, (b) application of advanced numerical methods to optimally design a microflow cell for studying anaerobic bacterial attachment/detachment phenomena, (c) development of two types of models for simulating bacterial movement and attachment/detachment in microflow cells and natural porous media, (d) application of stochastic analysis to upscale pore scale microbial attachment/detachment models to natural heterogeneous porous media, and (e) evaluation of the role nonlocality plays in microbial dynamics in heterogeneous porous media.

  17. A Stochastic Multi-Media Model of Microbial Transport in Watersheds

    Science.gov (United States)

    Yeghiazarian, L.; Safwat, A.; Whiteaker, T.; Teklitz, A.; Nietch, C.; Maidment, D. R.; Best, E. P.

    2012-12-01

    Fecal contamination is the leading cause of surface-water impairment in the US, and fecal pathogens are capable of triggering massive outbreaks of gastrointestinal disease. The difficulty in prediction of water contamination has its roots in the stochastic variability of fecal pathogens in the environment, and in the complexity of microbial dynamics and interactions on the soil surface and in water. To address these challenges, we have developed a stochastic model whereby the transport of microorganisms in watersheds is considered in two broad categories: microorganisms that are attached to mineral or organic substrates in suspended sediment; and unattached microorganisms suspended in overland flow. The interactions of microorganisms with soil particles on the soil surface and in the overland flow lead to transitions of microorganisms between solid and aqueous media. The strength of attachment of microorganisms to soil particles is determined by the chemical characteristics of soils which are highly correlated with the particle size. The particle size class distribution in the suspended sediment is predicted by the Water Erosion Prediction Project (WEPP). The model is integrated with ArcGIS, resulting in a general transport-modeling framework applicable to a variety of biological and chemical surface water contaminants. Simulations are carried out for a case study of contaminant transport in the East Fork Little Miami River Watershed in Ohio. Model results include the spatial probability distribution of microbes in the watershed and can be used for assessment of (1) mechanisms dominating microbial transport, and (2) time and location of highest likelihood of microbial occurrence, thus yielding information on best water sampling strategies.

  18. Simulated Carbon Cycling in a Model Microbial Mat.

    Science.gov (United States)

    Decker, K. L.; Potter, C. S.

    2006-12-01

    We present here the novel addition of detailed organic carbon cycling to our model of a hypersaline microbial mat ecosystem. This ecosystem model, MBGC (Microbial BioGeoChemistry), simulates carbon fixation through oxygenic and anoxygenic photosynthesis, and the release of C and electrons for microbial heterotrophs via cyanobacterial exudates and also via a pool of dead cells. Previously in MBGC, the organic portion of the carbon cycle was simplified into a black-box rate of accumulation of simple and complex organic compounds based on photosynthesis and mortality rates. We will discuss the novel inclusion of fermentation as a source of carbon and electrons for use in methanogenesis and sulfate reduction, and the influence of photorespiration on labile carbon exudation rates in cyanobacteria. We will also discuss the modeling of decomposition of dead cells and the ultimate release of inorganic carbon. The detailed modeling of organic carbon cycling is important to the accurate representation of inorganic carbon flux through the mat, as well as to accurate representation of growth models of the heterotrophs under different environmental conditions. Because the model ecosystem is an analog of ancient microbial mats that had huge impacts on the atmosphere of early earth, this MBGC can be useful as a biological component to either early earth models or models of other planets that potentially harbor life.

  19. 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.

  20. 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

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

    Science.gov (United States)

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

    2011-03-25

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

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

    Science.gov (United States)

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

    2011-03-01

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

  3. Incorporating Geochemical And Microbial Kinetics In Reactive Transport Models For Generation Of Acid Rock Drainage

    Science.gov (United States)

    Andre, B. J.; Rajaram, H.; Silverstein, J.

    2010-12-01

    Acid mine drainage, AMD, results from the oxidation of metal sulfide minerals (e.g. pyrite), producing ferrous iron and sulfuric acid. Acidophilic autotrophic bacteria such as Acidithiobacillus ferrooxidans and Leptospirillum ferrooxidans obtain energy by oxidizing ferrous iron back to ferric iron, using oxygen as the electron acceptor. Most existing models of AMD do not account for microbial kinetics or iron geochemistry rigorously. Instead they assume that oxygen limitation controls pyrite oxidation and thus focus on oxygen transport. These models have been successfully used for simulating conditions where oxygen availability is a limiting factor (e.g. source prevention by capping), but have not been shown to effectively model acid generation and effluent chemistry under a wider range of conditions. The key reactions, oxidation of pyrite and oxidation of ferrous iron, are both slow kinetic processes. Despite being extensively studied for the last thirty years, there is still not a consensus in the literature about the basic mechanisms, limiting factors or rate expressions for microbially enhanced oxidation of metal sulfides. An indirect leaching mechanism (chemical oxidation of pyrite by ferric iron to produce ferrous iron, with regeneration of ferric iron by microbial oxidation of ferrous iron) is used as the foundation of a conceptual model for microbially enhanced oxidation of pyrite. Using literature data, a rate expression for microbial consumption of ferrous iron is developed that accounts for oxygen, ferrous iron and pH limitation. Reaction rate expressions for oxidation of pyrite and chemical oxidation of ferrous iron are selected from the literature. A completely mixed stirred tank reactor (CSTR) model is implemented coupling the kinetic rate expressions, speciation calculations and flow. The model simulates generation of AMD and effluent chemistry that qualitatively agrees with column reactor and single rock experiments. A one dimensional reaction

  4. Biological transportation networks: Modeling and simulation

    KAUST Repository

    Albi, Giacomo

    2015-09-15

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

  5. Development and evaluation of the microbial fate and transport module for the Agricultural Policy/Environmental eXtender (APEX) model

    Science.gov (United States)

    Hong, Eun-Mi; Park, Yongeun; Muirhead, Richard; Pachepsky, Yakov

    2017-04-01

    Pathogenic microorganisms in recreational and irrigation waters remain the subject of concern. Water quality models are used to estimate microbial quality of water sources, to evaluate microbial contamination-related risks, to guide the microbial water quality monitoring, and to evaluate the effect of agricultural management on the microbial water quality. The Agricultural Policy/Environmental eXtender (APEX) is the watershed-scale water quality model that includes highly detailed representation of agricultural management. The APEX currently does not have microbial fate and transport simulation capabilities. The objective of this work was to develop the first APEX microbial fate and transport module that could use the APEX conceptual model of manure removal together with recently introduced conceptualizations of the in-stream microbial fate and transport. The module utilizes manure erosion rates found in the APEX. The total number of removed bacteria was set to the concentrations of bacteria in soil-manure mixing layer and eroded manure amount. Bacteria survival in soil-manure mixing layer was simulated with the two-stage survival model. Individual survival patterns were simulated for each manure application date. Simulated in-stream microbial fate and transport processes included the reach-scale passive release of bacteria with resuspended bottom sediment during high flow events, the transport of bacteria from bottom sediment due to the hyporheic exchange during low flow periods, the deposition with settling sediment, and the two-stage survival. Default parameter values were available from recently published databases. The APEX model with the newly developed microbial fate and transport module was applied to simulate seven years of monitoring data for the Toenepi watershed in New Zealand. The stream network of the watershed ran through grazing lands with the daily bovine waste deposition. Based on calibration and testing results, the APEX with the microbe module

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

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  7. Predicting the microbial exposure risks in urban floods using GIS, building simulation, and microbial models.

    Science.gov (United States)

    Taylor, Jonathon; Biddulph, Phillip; Davies, Michael; Lai, Ka man

    2013-01-01

    London is expected to experience more frequent periods of intense rainfall and tidal surges, leading to an increase in the risk of flooding. Damp and flooded dwellings can support microbial growth, including mould, bacteria, and protozoa, as well as persistence of flood-borne microorganisms. The amount of time flooded dwellings remain damp will depend on the duration and height of the flood, the contents of the flood water, the drying conditions, and the building construction, leading to particular properties and property types being prone to lingering damp and human pathogen growth or persistence. The impact of flooding on buildings can be simulated using Heat Air and Moisture (HAM) models of varying complexity in order to understand how water can be absorbed and dry out of the building structure. This paper describes the simulation of the drying of building archetypes representative of the English building stock using the EnergyPlus based tool 'UCL-HAMT' in order to determine the drying rates of different abandoned structures flooded to different heights and during different seasons. The results are mapped out using GIS in order to estimate the spatial risk across London in terms of comparative flood vulnerability, as well as for specific flood events. Areas of South and East London were found to be particularly vulnerable to long-term microbial exposure following major flood events. Copyright © 2012 Elsevier Ltd. All rights reserved.

  8. Metagenomic Sequencing of an In Vitro-Simulated Microbial Community

    Energy Technology Data Exchange (ETDEWEB)

    Morgan, Jenna L.; Darling, Aaron E.; Eisen, Jonathan A.

    2009-12-01

    Background: Microbial life dominates the earth, but many species are difficult or even impossible to study under laboratory conditions. Sequencing DNA directly from the environment, a technique commonly referred to as metagenomics, is an important tool for cataloging microbial life. This culture-independent approach involves collecting samples that include microbes in them, extracting DNA from the samples, and sequencing the DNA. A sample may contain many different microorganisms, macroorganisms, and even free-floating environmental DNA. A fundamental challenge in metagenomics has been estimating the abundance of organisms in a sample based on the frequency with which the organism's DNA was observed in reads generated via DNA sequencing. Methodology/Principal Findings: We created mixtures of ten microbial species for which genome sequences are known. Each mixture contained an equal number of cells of each species. We then extracted DNA from the mixtures, sequenced the DNA, and measured the frequency with which genomic regions from each organism was observed in the sequenced DNA. We found that the observed frequency of reads mapping to each organism did not reflect the equal numbers of cells that were known to be included in each mixture. The relative organism abundances varied significantly depending on the DNA extraction and sequencing protocol utilized. Conclusions/Significance: We describe a new data resource for measuring the accuracy of metagenomic binning methods, created by in vitro-simulation of a metagenomic community. Our in vitro simulation can be used to complement previous in silico benchmark studies. In constructing a synthetic community and sequencing its metagenome, we encountered several sources of observation bias that likely affect most metagenomic experiments to date and present challenges for comparative metagenomic studies. DNA preparation methods have a particularly profound effect in our study, implying that samples prepared with

  9. 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

  10. Impact of simulated acid rain on soil microbial community function in Masson pine seedlings

    Directory of Open Access Journals (Sweden)

    Lin Wang

    2014-09-01

    Conclusion: The results obtained indicated that the higher acid load decreased the soil microbial activity and no effects on soil microbial diversity assessed by Biolog of potted Masson pine seedlings. Simulated acid rain also changed the metabolic capability of the soil microbial community.

  11. 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)

  12. Simulating the Interactions Among Land Use, Transportation ...

    Science.gov (United States)

    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

  13. The Science of Transportation Analysis and Simulation

    Science.gov (United States)

    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.

  14. Reply to 'Comment on kinetic modeling of microbially-driven redox chemistry of subsurface environments: coupling transport, microbial metabolism and geochemistry' by J. Griffioen

    Science.gov (United States)

    Hunter, K. S.; Van Cappellen, P.

    2000-01-01

    Our paper, 'Kinetic modeling of microbially-driven redox chemistry of subsurface environments: coupling transport, microbial metabolism and geochemistry' (Hunter et al., 1998), presents a theoretical exploration of biogeochemical reaction networks and their importance to the biogeochemistry of groundwater systems. As with any other model, the kinetic reaction-transport model developed in our paper includes only a subset of all physically, biologically and chemically relevant processes in subsurface environments. It considers aquifer systems where the primary energy source driving microbial activity is the degradation of organic matter. In addition to the primary biodegradation pathways of organic matter (i.e. respiration and fermentation), the redox chemistry of groundwaters is also affected by reactions not directly involving organic matter oxidation. We refer to the latter as secondary reactions. By including secondary redox reactions which consume reduced reaction products (e.g., Mn2+, FeS, H2S), and in the process compete with microbial heterotrophic populations for available oxidants (i.e. O2, NO3-, Mn(IV), Fe(III), SO42-), we predict spatio-temporal distributions of microbial activity which differ significantly from those of models which consider only the biodegradation reactions. That is, the secondary reactions have a significant impact on the distributions of the rates of heterotrophic and chemolithotrophic metabolic pathways. We further show that secondary redox reactions, as well as non-redox reactions, significantly influence the acid-base chemistry of groundwaters. The distributions of dissolved inorganic redox species along flowpaths, however, are similar in simulations with and without secondary reactions (see Figs. 3(b) and 7(b) in Hunter et al., 1998), indicating that very different biogeochemical reaction dynamics may lead to essentially the same chemical redox zonation of a groundwater system.

  15. 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.

  16. An open source platform for multi-scale spatially distributed simulations of microbial ecosystems

    Energy Technology Data Exchange (ETDEWEB)

    Segre, Daniel [Boston Univ., MA (United States)

    2014-08-14

    The goal of this project was to develop a tool for facilitating simulation, validation and discovery of multiscale dynamical processes in microbial ecosystems. This led to the development of an open-source software platform for Computation Of Microbial Ecosystems in Time and Space (COMETS). COMETS performs spatially distributed time-dependent flux balance based simulations of microbial metabolism. Our plan involved building the software platform itself, calibrating and testing it through comparison with experimental data, and integrating simulations and experiments to address important open questions on the evolution and dynamics of cross-feeding interactions between microbial species.

  17. Simulations of Microbial-Enhanced Oil Recovery: Adsorption and Filtration

    DEFF Research Database (Denmark)

    Nielsen, Sidsel Marie; Nesterov, Igor; Shapiro, Alexander

    2014-01-01

    In the context of microbial-enhanced oil recovery (MEOR) with injection of surfactant-producing bacteria into the reservoir, different types of bacteria attachment and growth scenarios are studied using a 1D simulator. The irreversible bacteria attachment due to filtration similar to the deep bed...... applied to filtration model provides formation of two oil banks during recovery. This feature is not reproduced by application of REA model or DBF with growth in attached phase. This makes it possible to select a right model based on the qualitative analysis of the experimental data. A criterion...... is introduced to study the process efficiency: the dimensionless time at which average recovery between pure water injection and maximum surfactant effect is reached. This characteristic recovery period (CRP) was studied as a function of the different MEOR parameters such as bacterial activity, filtration...

  18. A Little Vacation on Mars: Mars Simulation Microbial Challenge Experiments

    Science.gov (United States)

    Boston, P.; Todd, P.; Van De Camp, J.; Northup, D.; Spilde, M.

    2008-06-01

    Communities of microbial organisms isolated from a variety of extreme environments were subjected to 1 to 5 weeks of simulated Martian environmental conditions using the Mars Environment Simulation Chamber at the Techshot, Inc. facility in Greenville, Indiana. The goal of the overall experiment program was to assess survival of test Earth organisms under Mars full spectrum sunlight, low-latitude daily temperature profile and various Mars-atmosphere pressures (~50 mbar to 500 mbar, 100% CO2) and low moisture content. Organisms surviving after 5 weeks at 100 mbar included those from gypsum surface fracture communities in a Permian aged evaporite basin, desert varnish on andesite lavas around a manganese mine, and iron and manganese oxidizing organisms isolated from two caves in Mew Mexico. Phylogenetic DNA analysis revealed strains of cyanobacteria, bacterial genera (present in all surviving communities) Asticacaulis, Achromobacter, Comamonas, Pantoea, Verrucomicrobium, Bacillus, Gemmatimonas, Actinomyces, and others. At least one microcolonial fungal strain from a desert varnish community and at least one strain from Utah survived simulations. Strains related to the unusual cave bacterial group Bacteroidetes are present in survivor communities that resist isolation into pure culture implying that their consortial relationships may be critical to their survival.

  19. 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

  20. 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

  1. 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.

  2. 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

  3. 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

  4. The Multi-Agent Transport Simulation MATSim

    OpenAIRE

    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...

  5. 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

  6. First-principles simulations of heat transport

    Science.gov (United States)

    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.

  7. Microbial and Organic Fine Particle Transport Dynamics in Streams - a Combined Experimental and Stochastic Modeling Approach

    Science.gov (United States)

    Drummond, Jen; Davies-Colley, Rob; Stott, Rebecca; Sukias, James; Nagels, John; Sharp, Alice; Packman, Aaron

    2014-05-01

    Transport dynamics of microbial cells and organic fine particles are important to stream ecology and biogeochemistry. Cells and particles continuously deposit and resuspend during downstream transport owing to a variety of processes including gravitational settling, interactions with in-stream structures or biofilms at the sediment-water interface, and hyporheic exchange and filtration within underlying sediments. Deposited cells and particles are also resuspended following increases in streamflow. Fine particle retention influences biogeochemical processing of substrates and nutrients (C, N, P), while remobilization of pathogenic microbes during flood events presents a hazard to downstream uses such as water supplies and recreation. We are conducting studies to gain insights into the dynamics of fine particles and microbes in streams, with a campaign of experiments and modeling. The results improve understanding of fine sediment transport, carbon cycling, nutrient spiraling, and microbial hazards in streams. We developed a stochastic model to describe the transport and retention of fine particles and microbes in rivers that accounts for hyporheic exchange and transport through porewaters, reversible filtration within the streambed, and microbial inactivation in the water column and subsurface. This model framework is an advance over previous work in that it incorporates detailed transport and retention processes that are amenable to measurement. Solute, particle, and microbial transport were observed both locally within sediment and at the whole-stream scale. A multi-tracer whole-stream injection experiment compared the transport and retention of a conservative solute, fluorescent fine particles, and the fecal indicator bacterium Escherichia coli. Retention occurred within both the underlying sediment bed and stands of submerged macrophytes. The results demonstrate that the combination of local measurements, whole-stream tracer experiments, and advanced modeling

  8. 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

  9. Simulating the mesoscale transport of krypton-85.

    Science.gov (United States)

    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.

  10. Environmental regulation in a network of simulated microbial ecosystems.

    Science.gov (United States)

    Williams, Hywel T P; Lenton, Timothy M

    2008-07-29

    The Earth possesses a number of regulatory feedback mechanisms involving life. In the absence of a population of competing biospheres, it has proved hard to find a robust evolutionary mechanism that would generate environmental regulation. It has been suggested that regulation must require altruistic environmental alterations by organisms and, therefore, would be evolutionarily unstable. This need not be the case if organisms alter the environment as a selectively neutral by-product of their metabolism, as in the majority of biogeochemical reactions, but a question then arises: Why should the combined by-product effects of the biota have a stabilizing, rather than destabilizing, influence on the environment? Under certain conditions, selection acting above the level of the individual can be an effective adaptive force. Here we present an evolutionary simulation model in which environmental regulation involving higher-level selection robustly emerges in a network of interconnected microbial ecosystems. Spatial structure creates conditions for a limited form of higher-level selection to act on the collective environment-altering properties of local communities. Local communities that improve their environmental conditions achieve larger populations and are better colonizers of available space, whereas local communities that degrade their environment shrink and become susceptible to invasion. The spread of environment-improving communities alters the global environment toward the optimal conditions for growth and tends to regulate against external perturbations. This work suggests a mechanism for environmental regulation that is consistent with evolutionary theory.

  11. The microbial aspects of constructed wetlands treating simulated wastewater

    International Nuclear Information System (INIS)

    Pervez, A.; Firdus, S.

    2005-01-01

    The microbial populations (bacteria, actinomycetes and fungi) in six different types of 68 dm/sup 3/ experimental constructed wetlands with or with reed were quantified using standard counts of colony forming units grown on different types of medias. The wetlands were supplied with a simulated wastewater and number of environmental variables were measured, including COD, temperature, pH, Oxygen concentration, suspended solids, NH/sub 4//sup +/, NO/sub 3//sup -/ and HPO/sub 4//sup 2-/. Mean number of colony forming units of bacteria, actinomycetes and fungi differed significantly between each system, sample dates and depths. Correlation coefficient for variables were calculated to determine whether a relationship between biological and physico-chemical factors at all samples depths could be detected. Not surprisingly the numbers of bacteria and actinomycetes were strongly positively correlated with temperature and oxygen concentration. However, fungal populations were partially correlated with temperature. No correlation was found between the number of any microorganisms and the levels of HPO/sub 4//sup 2-/ in the effluent. (author)

  12. 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

  13. 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

  14. 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

  15. 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

  16. Microbial Transport, Survival, and Succession in a Sequence of Buried Sediments

    Energy Technology Data Exchange (ETDEWEB)

    Kieft, T.L.; Murphy, E.M.; Haldeman, D.L.; Amy, P.S.; Bjornstad, B.N.; McDonald, E.V.; Ringelberg, D.B.; White, D.C.; Stair, J.; Griffiths, R.P.; Gsell, T.C.; Holben, W.E.; Boone, D.R.

    1995-01-05

    Two chronosequence of unsaturated buried loess sediments ranging in age from <10,000 years to >1 million years were investigated to reconstruct patterns of microbial ecological succession that have occurred since sediment burial. The relative importance of microbial transport and survival to succession were inferred from sediment ages, porewater ages, patterns of abundance (measured by direct counts, counts of culturable cells, and total phospholipid fatty acids), activities (measured by radiotracer and enzyme assays), and community composition (measured by phospholipid fatty acid patterns and Biolog substrate usage). Samples were collected by coring at two sites 40 km apart in the Palouse region of eastern Washington State near the towns of Washtucna and Winona. The Washtucna site was flooded multiple times during the Pleistocene by glacial outburst floods; the elevation of the Winona site is above flood stage. Sediments at the Washtucna site were collected from near surface to 14.9 m depth, where the sediment age was {approx}250 ka and the porewater age was 3700 years; sample intervals at the Winona site ranged from near surface to 38 m (sediment age: {approx}1 Ma; porewater age: 1200 years). Microbial abundance and activities declined with depth at both sites; however, even the deepest, oldest sediments showed evidence of viable microorganisms. Sediments of equivalent age had equal quantities of microorganisms, but differing community types. Differences in community make-up between the two sites can be attributed to differences in groundwater recharge and paleoflooding. Estimates of the ages of the microbial communities can be constrained by porewater and sediment ages. In the shallower sediments (<9 m at Washtucna, <12 m at Winona), the microbial communities are likely similar in age to the groundwater; thus, microbial succession has been influenced by recent transport of microorganisms from the surface. In the deeper sediments, the populations may be

  17. 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

  18. Live Cell Discovery of Microbial Vitamin Transport and Enzyme-Cofactor Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, Lindsey N.; Koech, Phillip K.; Plymale, Andrew E.; Landorf, Elizabeth V.; Konopka, Allan; Collart, Frank; Lipton, Mary S.; Romine, Margaret F.; Wright, Aaron T.

    2016-02-02

    The rapid completion of microbial genomes is inducing a conundrum in functional gene discovery. Novel methods are critically needed to shorten the gap between characterizing a microbial genome and experimentally validating bioinformatically-predicted functions. Of particular importance are transport mechanisms, used to shuttle nutrients and metabolites across cell mem-branes, such as B vitamins, which are indispensable to metabolic reactions crucial to the survival of diverse microbes ranging from members of environmental microbial communities to human pathogens. Methods to accurately assign function and specificity for a wide range of experimentally unidentified and/or predicted membrane-embedded transport proteins, and characterization of intra-cellular enzyme-cofactor/nutrient associations are needed to enable a significantly improved understanding of microbial biochemis-try and physiology, how microbes associate with others, and how they sense and respond to environmental perturbations. Chemical probes derived from B vitamins B1, B2, and B7 have allowed us to experimentally address the aforementioned needs by identifying B vitamin transporters and intracellular protein-cofactor associations through live cell labeling of the filamentous anoxygenic pho-toheterotroph, Chloroflexus aurantiacus J-10-fl, known for both B vitamin biosynthesis and environmental salvage. Our probes provide a unique opportunity to directly link cellular activity and protein function back to ecosystem and/or host dynamics by iden-tifying B vitamin transport and disposition mechanisms required for survival.

  19. Rare Event Simulation in Radiation Transport

    Science.gov (United States)

    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

  20. 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.

  1. 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)

  2. Correlated prompt fission data in transport simulations

    Science.gov (United States)

    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

  3. 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

  4. Simulations of proppant transport in microfractures

    Science.gov (United States)

    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

  5. Impact of Hypobarism During Simulated Transport on Critical Care Air Transport Team Performance

    Science.gov (United States)

    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

  6. Microbial electron transport and energy conservation – the foundation for optimizing bioelectrochemical systems

    Science.gov (United States)

    Kracke, Frauke; Vassilev, Igor; Krömer, Jens O.

    2015-01-01

    Microbial electrochemical techniques describe a variety of emerging technologies that use electrode–bacteria interactions for biotechnology applications including the production of electricity, waste and wastewater treatment, bioremediation and the production of valuable products. Central in each application is the ability of the microbial catalyst to interact with external electron acceptors and/or donors and its metabolic properties that enable the combination of electron transport and carbon metabolism. And here also lies the key challenge. A wide range of microbes has been discovered to be able to exchange electrons with solid surfaces or mediators but only a few have been studied in depth. Especially electron transfer mechanisms from cathodes towards the microbial organism are poorly understood but are essential for many applications such as microbial electrosynthesis. We analyze the different electron transport chains that nature offers for organisms such as metal respiring bacteria and acetogens, but also standard biotechnological organisms currently used in bio-production. Special focus lies on the essential connection of redox and energy metabolism, which is often ignored when studying bioelectrochemical systems. The possibility of extracellular electron exchange at different points in each organism is discussed regarding required redox potentials and effect on cellular redox and energy levels. Key compounds such as electron carriers (e.g., cytochromes, ferredoxin, quinones, flavins) are identified and analyzed regarding their possible role in electrode–microbe interactions. This work summarizes our current knowledge on electron transport processes and uses a theoretical approach to predict the impact of different modes of transfer on the energy metabolism. As such it adds an important piece of fundamental understanding of microbial electron transport possibilities to the research community and will help to optimize and advance bioelectrochemical

  7. 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

  8. 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

  9. 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

  10. Biological transportation networks: Modeling and simulation

    KAUST Repository

    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

  11. Microbial Transport, Survival, and Succession in a Sequence of Buried Sediments

    International Nuclear Information System (INIS)

    Kieft, T.L.; Murphy, E.M.; Haldeman, D.L.; Amy, P.S.; Bjornstad, B.N.; McDonald, E.V.; Ringelberg, D.B.; White, D.C.; Stair, J.; Griffiths, R.P.; Gsell, T.C.; Holben, W.E.; Boone, D.R.

    1995-01-01

    Two chronosequence of unsaturated buried loess sediments ranging in age from and lt;10,000 years to and gt;1 million years were investigated to reconstruct patterns of microbial ecological succession that have occurred since sediment burial. The relative importance of microbial transport and survival to succession were inferred from sediment ages, porewater ages, patterns of abundance (measured by direct counts, counts of culturable cells, and total phospholipid fatty acids), activities (measured by radiotracer and enzyme assays), and community composition (measured by phospholipid fatty acid patterns and Biolog substrate usage). Samples were collected by coring at two sites 40 km apart in the Palouse region of eastern Washington State near the towns of Washtucna and Winona. The Washtucna site was flooded multiple times during the Pleistocene by glacial outburst floods; the elevation of the Winona site is above flood stage. Sediments at the Washtucna site were collected from near surface to 14.9 m depth, where the sediment age was(approx)250 ka and the porewater age was 3700 years; sample intervals at the Winona site ranged from near surface to 38 m (sediment age:(approx)1 Ma; porewater age: 1200 years). Microbial abundance and activities declined with depth at both sites; however, even the deepest, oldest sediments showed evidence of viable microorganisms. Sediments of equivalent age had equal quantities of microorganisms, but differing community types. Differences in community make-up between the two sites can be attributed to differences in groundwater recharge and paleoflooding. Estimates of the ages of the microbial communities can be constrained by porewater and sediment ages. In the shallower sediments ( and lt;9 m at Washtucna, and lt;12 m at Winona), the microbial communities are likely similar in age to the groundwater; thus, microbial succession has been influenced by recent transport of microorganisms from the surface. In the deeper sediments, the

  12. Microbial behaviour and cross contamination between cargoes in containerized transportation of food

    DEFF Research Database (Denmark)

    Abban, Stephen

    Transportation is central to the global food and feed supply chain. Thus issues of safety, especially cross contamination with pathogens during food transit should be important in food handling operations. A large proportion of the worlds’ food cargo is moved using intermodal cargo containers...... chain, its role in food safety cannot be ignored. Unfortunately not much effort has been put, scientifically, into understanding the role of the various features of the transportation links in food cross contamination (compared to studies for homes, processing factories and farm yards). The PhD project...... has attempted to shed light on containerized food transport and some of its important attributes as regards hygiene and cross contamination. The overall aim of the study was to ‘identify possible microbial hazards and ways of cross contamination during containerized transportation of foods...

  13. 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

  14. SEAWAT-based simulation of axisymmetric heat transport.

    Science.gov (United States)

    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.

  15. Sediment transport simulation in an armoured stream

    Science.gov (United States)

    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.

  16. 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)

  17. 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

  18. INFLUENCE OF BACKGROUND AIR ON MICROBIAL-CONTAMINATION DURING SIMULATED IV-ADMIXTURE PREPARATION

    NARCIS (Netherlands)

    VANDOORNE, H; BAKKER, JH; MEEVIS, RF; MARSKAMP, A

    The effect of the cleanliness of environmental air on the microbial contamination of a simulated i.v.-admixture during its preparation by aseptic transfer was studied under three conditions: (i) in a laminar air flow (LAF) bench situated in a class 1000 clean room, (ii) in an LAF bench in a

  19. Effects of simulated acid rain on microbial characteristics in a lateritic red soil.

    Science.gov (United States)

    Xu, Hua-qin; Zhang, Jia-en; Ouyang, Ying; Lin, Ling; Quan, Guo-ming; Zhao, Ben-liang; Yu, Jia-yu

    2015-11-01

    A laboratory experiment was performed to examine the impact of simulated acid rain (SAR) on nutrient leaching, microbial biomass, and microbial activities in a lateritic red soil in South China. The soil column leaching experiment was conducted over a 60-day period with the following six SAR pH treatments (levels): 2.5, 3.0, 3.5, 4.0, 4.5, and 5.0 and one control treatment (pH = 7). Compared with the control treatment, the concentrations of soil organic matter, total nitrogen, total phosphorus, total potassium, soil microbial biomass carbon (MBC), soil microbial biomass nitrogen (MBN), and average well color density (AWCD) in the Ecoplates were all significantly decreased by leaching with SAR at different pH levels. The decrease in MBC and MBN indicated that acid rain reduced the soil microbial population, while the decrease in AWCD revealed that acid rain had a negative effect on soil bacterial metabolic function. Soil basal respiration increased gradually from pH 4.0 to 7.0 but decreased dramatically from pH 2.5 to 3.0. The decrease in soil nutrient was the major reason for the change of soil microbial functions. A principal component analysis showed that the major carbon sources used by the bacteria were carbohydrates and carboxylic acids.

  20. 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.

  1. Multimodal Transportation Simulation for Emergencies using the Link Transmission Model

    NARCIS (Netherlands)

    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

  2. Retention and transport of an anaerobic trichloroethene dechlorinating microbial culture in anaerobic porous media.

    Science.gov (United States)

    Zhang, Huixin; Ulrich, Ania C; Liu, Yang

    2015-06-01

    The influence of solution chemistry on microbial transport was examined using the strictly anaerobic trichloroethene (TCE) bioaugmentation culture KB-1(®). A column was employed to determine transport behaviors and deposition kinetics of three distinct functional species in KB-1(®), Dehalococcoides, Geobacter, and Methanomethylovorans, over a range of ionic strengths under a well-controlled anaerobic condition. A quantitative polymerase chain reaction (qPCR) was utilized to enumerate cell concentration and complementary techniques were implemented to evaluate cell surface electrokinetic potentials. Solution chemistry was found to positively affect the deposition rates, which was consistent with calculated Derjaguin-Landau-Verwey-Overbeek (DLVO) interaction energies. Retained microbial profiles showed spatially constant colloid deposition rate coefficients, in agreement with classical colloid filtration theory (CFT). It was interesting to note that the three KB-1(®) species displayed similar transport and retention behaviors under the defined experimental conditions despite their different cell electrokinetic properties. A deeper analysis of cell characteristics showed that factors, such as cell size and shape, concentration, and motility were involved in determining adhesion behavior. Copyright © 2015 Elsevier B.V. All rights reserved.

  3. Solving wood chip transport problems with computer simulation.

    Science.gov (United States)

    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.

  4. 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

  5. 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)

  6. 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

  7. Vehicle Modeling for Future Generation Transportation Simulation

    Science.gov (United States)

    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 ...

  8. The Electron Transport Chain: An Interactive Simulation

    Science.gov (United States)

    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…

  9. 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.

  10. 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

  11. 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

  12. Development of the Transport Class Model (TCM) Aircraft Simulation From a Sub-Scale Generic Transport Model (GTM) Simulation

    Science.gov (United States)

    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.

  13. 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.

  14. Modelling the transport and decay processes of microbial tracers in a macro-tidal estuary.

    Science.gov (United States)

    Abu-Bakar, Amyrhul; Ahmadian, Reza; Falconer, Roger A

    2017-10-15

    The Loughor Estuary is a macro-tidal coastal basin, located along the Bristol Channel, in the South West of the U.K. The maximum spring tidal range in the estuary is up to 7.5 m, near Burry Port Harbour. This estuarine region can experience severe coastal flooding during high spring tides, including extreme flooding of the intertidal saltmarshes at Llanrhidian, as well as the lower industrial and residential areas at Llanelli and Gowerton. The water quality of this estuarine basin needs to comply with the designated standards for safe recreational bathing and shellfish harvesting industries. The waterbody however, potentially receives overloading of bacterial inputs that enter the estuarine system from both point and diffuse sources. Therefore, a microbial tracer study was carried out to get a better understanding of the faecal bacteria sources and to enable a hydro-environmental model to be refined and calibrated for both advection and dispersion transport. A two-dimensional hydro-environmental model has been refined and extended to predict the highest water level covering the intertidal floodplains of the Loughor Estuary. The validated hydrodynamic model for both water levels and currents, was included with the injected mass of microbial tracer, i.e. MS2 coliphage from upstream of the estuary, and modelled as a non-conservative tracer over several tidal cycles through the system. The calibration and validation of the transport and decay of microbial tracer was undertaken, by comparing the model results and the measured data at two different sampling locations. The refined model developed as a part of this study, was used to acquire a better understanding of the water quality processes and the potential sources of bacterial pollution in the estuary. Copyright © 2017 Elsevier Ltd. All rights reserved.

  15. Experimentally simulated global warming and nitrogen enrichment effects on microbial litter decomposers in a marsh.

    Science.gov (United States)

    Flury, Sabine; Gessner, Mark O

    2011-02-01

    Atmospheric warming and increased nitrogen deposition can lead to changes of microbial communities with possible consequences for biogeochemical processes. We used an enclosure facility in a freshwater marsh to assess the effects on microbes associated with decomposing plant litter under conditions of simulated climate warming and pulsed nitrogen supply. Standard batches of litter were placed in coarse-mesh and fine-mesh bags and submerged in a series of heated, nitrogen-enriched, and control enclosures. They were retrieved later and analyzed for a range of microbial parameters. Fingerprinting profiles obtained by denaturing gradient gel electrophoresis (DGGE) indicated that simulated global warming induced a shift in bacterial community structure. In addition, warming reduced fungal biomass, whereas bacterial biomass was unaffected. The mesh size of the litter bags and sampling date also had an influence on bacterial community structure, with the apparent number of dominant genotypes increasing from spring to summer. Microbial respiration was unaffected by any treatment, and nitrogen enrichment had no clear effect on any of the microbial parameters considered. Overall, these results suggest that microbes associated with decomposing plant litter in nutrient-rich freshwater marshes are resistant to extra nitrogen supplies but are likely to respond to temperature increases projected for this century.

  16. Particle Transport Simulation on Heterogeneous Hardware

    CERN Multimedia

    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...

  17. 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

  18. Experimentally simulated global warming and nitrogen enrichment effects on microbial litter decomposers in a marsh

    DEFF Research Database (Denmark)

    Flury, Sabine; Gessner, Mark

    2011-01-01

    obtained by denaturing gradient gel electrophoresis (DGGE) indicated that simulated global warming induced a shift in bacterial community structure. In addition, warming reduced fungal biomass, whereas bacterial biomass was unaffected. The mesh size of the litter bags and sampling date also had......Atmospheric warming and increased nitrogen deposition can lead to changes of microbial communities with possible consequences for biogeochemical processes. We used an enclosure facility in a freshwater marsh to assess the effects on microbes associated with decomposing plant litter under conditions...... of simulated climate warming and pulsed nitrogen supply. Standard batches of litter were placed in coarse-mesh and fine-mesh bags and submerged in a series of heated, nitrogen-enriched, and control enclosures. They were retrieved later and analyzed for a range of microbial parameters. Fingerprinting profiles...

  19. Quantum Transport Simulations of Nanoscale Materials

    KAUST Repository

    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

  20. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-04-15

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-04-15

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

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

    International Nuclear Information System (INIS)

    Jinsong Liu

    2006-04-01

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

  4. 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

  5. Molecular electronics: insight from first-principles transport simulations.

    Science.gov (United States)

    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.

  6. 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.

  7. 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

  8. 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

  9. A Comparison of Modeling Approaches in Simulating Chlorinated Ethene Removal in a Constructed Wetland by a Microbial Consortia

    National Research Council Canada - National Science Library

    Campbell, Jason

    2002-01-01

    ... of the modeling approaches affect simulation results. Concepts like microbial growth in the form of a biofilm and spatially varying contaminant concentrations bring the validity of the CSTR assumption into question...

  10. 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

  11. 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%.

  12. 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)

  13. 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)

  14. Cambrian rivers and floodplains: the significance of microbial cementation, groundwater and aeolian sediment transport

    Science.gov (United States)

    Reesink, A. J. H.; Best, J.; Freiburg, J. T.; Nathan, W.

    2016-12-01

    Rivers that existed before land plants colonized the Earth are commonly considered to be unaffected by microbial activity on their floodplains, because the limited cementation produced by microbial activity is insufficient to stabilize the river banks. Although this assumption is likely correct, such emphasis on channel dynamics ignores the potential role of floodplain dynamics as an integral component of the river system. Detailed analysis of cores from the Cambrian Mount Simon Sandstone, Illinois, suggests that a significant proportion of the terrestrial sequence is composed of flat-bedded `crinkly' structures that provide evidence of cementation by soil crusts and microbial biofilms, and that promoted the adhesion of sediment to sticky surfaces. Wind ripples and local desert pavements were abundant. These findings highlight that sediment deposition on Cambrian floodplains was often dominated by wind in locations where the ground water table reached the surface, and was thus likely independent of sediment transport within the river channel. Erosion by wind would thus have been hindered by surface cementation and the formation of desert pavements. Such ground water control on deposition, and resistance to erosion by floodplain surface hardening, appear to have been the primary controls on Cambrian floodplain topography. Because floodplain topography poses a key control on channel and floodplain flow, these processes may have affected patterns of erosion and deposition, as well as reach-scale dynamics such as channel avulsions. The autonomous operation of wind-and-groundwater controlled floodplains makes pre-vegetated river systems more sensitive to climatic conditions such as precipitation and evaporation, and strikingly different from those that occurred after the development of land plants.

  15. 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

  16. 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.

  17. The importance of OH − transport through anion exchange membrane in microbial electrolysis cells

    KAUST Repository

    Ye, Yaoli

    2018-01-11

    In two-chamber microbial electrolysis cells (MECs) with anion exchange membranes (AEMs), a phosphate buffer solution (PBS) is typically used to avoid increases in catholyte pH as Nernst equation calculations indicate that high pHs adversely impact electrochemical performance. However, ion transport between the chambers will also impact performance, which is a factor not included in those calculations. To separate the impacts of pH and ion transport on MEC performance, a high molecular weight polymer buffer (PoB), which was retained in the catholyte due to its low AEM transport and cationic charge, was compared to PBS in MECs and abiotic electrochemical half cells (EHCs). In MECs, catholyte pH control was less important than ion transport. MEC tests using the PoB catholyte, which had a higher buffer capacity and thus maintained a lower catholye pH (<8), resulted in a 50% lower hydrogen production rate (HPR) than that obtained using PBS (HPR = 0.7 m3-H2 m−3 d−1) where the catholyte rapidly increased to pH = 12. The main reason for the decreased performance using PoB was a lack of hydroxide ion transfer into the anolyte to balance pH. The anolyte pH in MECs rapidly decreased to 5.8 due to a lack of hydroxide ion transport, which inhibited current generation by the anode, whereas the pH was maintained at 6.8 using PBS. In abiotic tests in ECHs, where the cathode potential was set at −1.2 V, the HPR was 133% higher using PoB than PBS due to catholyte pH control, as the anolyte pH was not a factor in the performance. These results show that maintaining charge transfer to control anolyte pH is more important than obtaining a more neutral pH catholyte.

  18. 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

  19. 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

  20. 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)

  1. 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

  2. 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

  3. Mineral solubility and free energy controls on microbial reaction kinetics: Application to contaminant transport in the subsurface

    Energy Technology Data Exchange (ETDEWEB)

    Taillefert, Martial [Georgia Inst. of Technology, Atlanta, GA (United States); Van Cappellen, Philippe [Univ. of Waterloo, ON (Canada)

    2016-11-14

    Recent developments in the theoretical treatment of geomicrobial reaction processes have resulted in the formulation of kinetic models that directly link the rates of microbial respiration and growth to the corresponding thermodynamic driving forces. The overall objective of this project was to verify and calibrate these kinetic models for the microbial reduction of uranium(VI) in geochemical conditions that mimic as much as possible field conditions. The approach combined modeling of bacterial processes using new bioenergetic rate laws, laboratory experiments to determine the bioavailability of uranium during uranium bioreduction, evaluation of microbial growth yield under energy-limited conditions using bioreactor experiments, competition experiments between metabolic processes in environmentally relevant conditions, and model applications at the field scale. The new kinetic descriptions of microbial U(VI) and Fe(III) reduction should replace those currently used in reactive transport models that couple catabolic energy generation and growth of microbial populations to the rates of biogeochemical redox processes. The above work was carried out in collaboration between the groups of Taillefert (batch reactor experiments and reaction modeling) at Georgia Tech and Van Cappellen (retentostat experiments and reactive transport modeling) at University of Waterloo (Canada).

  4. Structure and function of subsurface microbial communities affecting radionuclide transport and bioimmobilization

    Energy Technology Data Exchange (ETDEWEB)

    Kostka, Joel E. [Florida State Univ., Tallahassee, FL (United States); Prakash, Om [Florida State Univ., Tallahassee, FL (United States); Green, Stefan J. [Florida State Univ., Tallahassee, FL (United States); Akob, Denise [Florida State Univ., Tallahassee, FL (United States); Jasrotia, Puja [Florida State Univ., Tallahassee, FL (United States); Kerkhof, Lee [Rutgers Univ., New Brunswick, NJ (United States); Chin, Kuk-Jeong [Georgia State Univ., Atlanta, GA (United States); Sheth, Mili [Georgia State Univ., Atlanta, GA (United States); Keller, Martin [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Venkateswaran, Amudhan [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Elkins, James G. [Univ. of Illinois, Urbana-Champaign, IL (United States); Stucki, Joseph W. [Univ. of Illinois, Urbana-Champaign, IL (United States)

    2012-05-01

    Our objectives were to: 1) isolate and characterize novel anaerobic prokaryotes from subsurface environments exposed to high levels of mixed contaminants (U(VI), nitrate, sulfate), 2) elucidate the diversity and distribution of metabolically active metal- and nitrate-reducing prokaryotes in subsurface sediments, and 3) determine the biotic and abiotic mechanisms linking electron transport processes (nitrate, Fe(III), and sulfate reduction) to radionuclide reduction and immobilization. Mechanisms of electron transport and U(VI) transformation were examined under near in situ conditions in sediment microcosms and in field investigations. Field sampling was conducted at the Oak Ridge Field Research Center (ORFRC), in Oak Ridge, Tennessee. The ORFRC subsurface is exposed to mixed contamination predominated by uranium and nitrate. In short, we effectively addressed all 3 stated objectives of the project. In particular, we isolated and characterized a large number of novel anaerobes with a high bioremediation potential that can be used as model organisms, and we are now able to quantify the function of subsurface sedimentary microbial communities in situ using state-of-the-art gene expression methods (molecular proxies).

  5. 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.

  6. 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.

  7. Simulations of reactive transport and precipitation with smoothed particle hydrodynamics

    Science.gov (United States)

    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.

  8. 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.

  9. Microbial degradation of street dust polycyclic aromatic hydrocarbons in microcosms simulating diffuse pollution of urban soil

    DEFF Research Database (Denmark)

    Johnsen, Anders R; de Lipthay, Julia R; Sørensen, Søren J

    2006-01-01

    Diffuse pollution with polycyclic aromatic hydrocarbons (PAHs) of topsoil in urban regions has caused increasing concerns in recent years. We simulated diffuse pollution of soil in microcosms by spiking sandy topsoil (A-horizon) and coarse, mineral subsoil (C-horizon) with street dust (PM63...... for the persistence and low bioaccessibility of 5- and 6-ring PAHs in diffusely polluted soil.......) isolated from municipal street sweepings from central Copenhagen. The microbial communities adapted to PAH degradation in microcosms spiked with street dust in both A-horizon and C-horizon soils, in spite of low PAH-concentrations. The increased potential for PAH degradation was demonstrated on several...

  10. A Modeling Comparison of Methanogenesis from Noncompetitive vs Competitive Substrates in a Simulated Hypersaline Microbial Mat

    Science.gov (United States)

    Decker, K. L.; Potter, C.; Hoehler, T.

    2005-12-01

    The well-documented assumption about methanogens that co-occur in hypersaline mat communities with sulfate-reducing bacteria (SRB) is that they rely entirely on non-competitive substrates for methanogenesis. The reason for this is that during sulfate reduction, sulfur-reducing bacteria efficiently utilize H2, leaving a concentration too low for methanogenesis. Early results from recent work on a hypersaline microbial mat from salt evaporation ponds of Guerrero Negro, Baja, Mexico cast doubt that methanogenesis only occurs via non-competitive substrates, because it shows an excess of H2 in the mat rather than a paucity. We explore the use of our simulation model of the microbial biogeochemistry of a hypersaline mat (named MBGC) to compare methane production rates in a 1 cm thick mat when the methanogens use competitive substrates versus noncompetitive substrates. In the `non-competitive substrate' version of the model, methanogens rely exclusively on methylated amines that are accumulated as compatible solutes in cyanobacteria and released after lysis. In contrast, the `competitive substrate' models examine methanogen use of substrates (such as H2 + acetate) with different SRB population sizes (from absent to low). The comparison of these models of methane and sulfide biogeochemistry of a hypersaline mat has both ecological and geobiological significance, as one hypothesis of Archean microbial mats is that they existed in a low sulfate environment.

  11. 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...

  12. Chemotactic preferences govern competition and pattern formation in simulated two-strain microbial communities.

    Science.gov (United States)

    Centler, Florian; Thullner, Martin

    2015-01-01

    Substrate competition is a common mode of microbial interaction in natural environments. While growth properties play an important and well-studied role in competition, we here focus on the influence of motility. In a simulated two-strain community populating a homogeneous two-dimensional environment, strains competed for a common substrate and only differed in their chemotactic preference, either responding more sensitively to a chemoattractant excreted by themselves or responding more sensitively to substrate. Starting from homogeneous distributions, three possible behaviors were observed depending on the competitors' chemotactic preferences: (i) distributions remained homogeneous, (ii) patterns formed but dissolved at a later time point, resulting in a shifted community composition, and (iii) patterns emerged and led to the extinction of one strain. When patterns formed, the more aggregating strain populated the core of microbial aggregates where starving conditions prevailed, while the less aggregating strain populated the more productive zones at the fringe or outside aggregates, leading to a competitive advantage of the less aggregating strain. The presence of a competitor was found to modulate a strain's behavior, either suppressing or promoting aggregate formation. This observation provides a potential mechanism by which an aggregated lifestyle might evolve even if it is initially disadvantageous. Adverse effects can be avoided as a competitor hinders aggregate formation by a strain which has just acquired this ability. The presented results highlight both, the importance of microbial motility for competition and pattern formation, and the importance of the temporal evolution, or history, of microbial communities when trying to explain an observed distribution.

  13. 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.

  14. 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

  15. Transport link scanner: simulating geographic transport network expansion through individual investments

    NARCIS (Netherlands)

    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

  16. 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

  17. Kinetic Theory and Simulation of Single-Channel Water Transport

    Science.gov (United States)

    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.

  18. 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

  19. 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

  20. 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

  1. Modeling and simulation of emergent behavior in transportation infrastructure restoration

    Science.gov (United States)

    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.

  2. 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)

  3. 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

  4. Microbial Community Response to Simulated Petroleum Seepage in Caspian Sea Sediments

    Directory of Open Access Journals (Sweden)

    Katrin Knittel

    2017-04-01

    Full Text Available Anaerobic microbial hydrocarbon degradation is a major biogeochemical process at marine seeps. Here we studied the response of the microbial community to petroleum seepage simulated for 190 days in a sediment core from the Caspian Sea using a sediment-oil-flow-through (SOFT system. Untreated (without simulated petroleum seepage and SOFT sediment microbial communities shared 43% bacterial genus-level 16S rRNA-based operational taxonomic units (OTU0.945 but shared only 23% archaeal OTU0.945. The community differed significantly between sediment layers. The detection of fourfold higher deltaproteobacterial cell numbers in SOFT than in untreated sediment at depths characterized by highest sulfate reduction rates and strongest decrease of gaseous and mid-chain alkane concentrations indicated a specific response of hydrocarbon-degrading Deltaproteobacteria. Based on an increase in specific CARD-FISH cell numbers, we suggest the following groups of sulfate-reducing bacteria to be likely responsible for the observed decrease in aliphatic and aromatic hydrocarbon concentration in SOFT sediments: clade SCA1 for propane and butane degradation, clade LCA2 for mid- to long-chain alkane degradation, clade Cyhx for cycloalkanes, pentane and hexane degradation, and relatives of Desulfobacula for toluene degradation. Highest numbers of archaea of the genus Methanosarcina were found in the methanogenic zone of the SOFT core where we detected preferential degradation of long-chain hydrocarbons. Sequencing of masD, a marker gene for alkane degradation encoding (1-methylalkylsuccinate synthase, revealed a low diversity in SOFT sediment with two abundant species-level MasD OTU0.96.

  5. 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

  6. 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

  7. Impacts of radiation exposure on the experimental microbial ecosystem: a particle-based model simulation approach

    International Nuclear Information System (INIS)

    Doi, M.; Tanaka, N.; Fuma, S.; Kawabata, Z.

    2004-01-01

    Well-designed experimental model ecosystem could be a simple reference of the actual environment and complex ecological systems. For ecological toxicity test of radiation and other environmental toxicants, we investigated and aquatic microbial ecosystem (closed microcosm) in the test tube with initial substrates,autotroph flagellate algae (Euglena, G.), heterotroph ciliate protozoa (Tetrahymena T.) and saprotroph bacteria (E, coli). These species organizes by itself to construct the ecological system, that keeps the sustainable population dynamics for more than 2 years after inoculation only by adding light diurnally and controlling temperature at 25 degree Celsius. Objective of the study is to develop the particle-based computer simulation by reviewing interactions among microbes and environment, and analyze the ecological toxicities of radiation on the microcosm by replicating experimental results in the computer simulation. (Author) 14 refs

  8. Responses of vegetation and soil microbial communities to warming and simulated herbivory in a subarctic heath

    DEFF Research Database (Denmark)

    Rinnan, Riikka; Stark, Sari; Tolvanen, Anne

    2009-01-01

    Climate warming increases the cover of deciduous shrubs in arctic ecosystems and herbivory is also known to have a strong influence on the biomass and composition of vegetation. However, research combining herbivory with warming is largely lacking. Our study describes how warming and simulated...... setup of the International Tundra Experiment (ITEX). Wounding of the dominant deciduous dwarf shrub Vaccinium myrtillus L. to simulate herbivory was carried out annually. We measured vegetation cover in 2003 and 2007, soil nutrient concentrations in 2003 and 2006, soil microbial respiration in 2003...... and herbivory. 6 Synthesis. Our results show that warming increases the cover of V. myrtillus, which seems to enhance the nutrient sink strength of vegetation in the studied ecosystem. However, herbivory partially negates the effect of warming on plant N uptake and interacts with the effect of warming...

  9. Simulation and resolution of voltage reversal in microbial fuel cell stack.

    Science.gov (United States)

    Sugnaux, Marc; Savy, Cyrille; Cachelin, Christian Pierre; Hugenin, Gérald; Fischer, Fabian

    2017-08-01

    To understand the biotic and non-biotic contributions of voltage reversals in microbial fuel cell stacks (MFC) they were simulated with an electronic MFC-Stack mimic. The simulation was then compared with results from a real 3L triple MFC-Stack with shared anolyte. It showed that voltage reversals originate from the variability of biofilms, but also the external load plays a role. When similar biofilm properties were created on all anodes the likelihood of voltage reversals was largely reduced. Homogenous biofilms on all anodes were created by electrical circuit alternation and electrostimulation. Conversely, anolyte recirculation, or increased nutriment supply, postponed reversals and unfavourable voltage asymmetries on anodes persisted. In conclusion, voltage reversals are often a negative event but occur also in close to best MFC-Stack performance. They were manageable and this with a simplified MFC architecture in which multiple anodes share the same anolyte. Copyright © 2017 Elsevier Ltd. All rights reserved.

  10. 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.

  11. 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

  12. American lobsters (Homarus americanus not surviving during air transport: evaluation of microbial spoilage

    Directory of Open Access Journals (Sweden)

    Erica Tirloni

    2016-05-01

    Full Text Available Eighteen American lobsters (Homarus americanus, dead during air transport, were analysed in order to evaluate the microbial population of meat, gills and gut: no specific studies have ever been conducted so far on the microbiological quality of American lobsters’ meats in terms of spoilage microbiota. The meat samples showed very limited total viable counts, in almost all the cases below the level of 6 Log CFU/g, while higher loads were found, as expected, in gut and gills, the most probable source of contamination. These data could justify the possibility to commercialise these notsurviving subjects, without quality concerns for the consumers. Most of the isolates resulted to be clustered with type strains of Pseudoalteromonas spp. (43.1% and Photobacterium spp. (24.1%, and in particular to species related to the natural marine environment. The distribution of the genera showed a marked inhomogeneity among the samples. The majority of the isolates identified resulted to possess proteolytic (69.3% and lipolytic ability (75.5%, suggesting their potential spoilage ability. The maintanance of good hygienical practices, especially during the production of ready-to-eat lobsters-based products, and a proper storage could limit the possible replication of these microorganisms.

  13. American Lobsters (Homarus Americanus) not Surviving During Air Transport: Evaluation of Microbial Spoilage.

    Science.gov (United States)

    Tirloni, Erica; Stella, Simone; Gennari, Mario; Colombo, Fabio; Bernardi, Cristian

    2016-04-19

    Eighteen American lobsters ( Homarus americanus ), dead during air transport, were analysed in order to evaluate the microbial population of meat, gills and gut: no specific studies have ever been conducted so far on the microbiological quality of American lobsters' meats in terms of spoilage microbiota. The meat samples showed very limited total viable counts, in almost all the cases below the level of 6 Log CFU/g, while higher loads were found, as expected, in gut and gills, the most probable source of contamination. These data could justify the possibility to commercialise these not-surviving subjects, without quality concerns for the consumers. Most of the isolates resulted to be clustered with type strains of Pseudoalteromonas spp. (43.1%) and Photobacterium spp. (24.1%), and in particular to species related to the natural marine environment. The distribution of the genera showed a marked inhomogeneity among the samples. The majority of the isolates identified resulted to possess proteolytic (69.3%) and lipolytic ability (75.5%), suggesting their potential spoilage ability. The maintanance of good hygienical practices, especially during the production of ready-to-eat lobsters-based products, and a proper storage could limit the possible replication of these microorganisms.

  14. 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

  15. 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

  16. Using Transport Diagnostics to Understand Chemistry Climate Model Ozone Simulations

    Science.gov (United States)

    Strahan, S. E.; Douglass, A. R.; Stolarski, R. S.; Akiyoshi, H.; Bekki, S.; Braesicke, P.; Butchart, N.; Chipperfield, M. P.; Cugnet, D.; Dhomse, S.; hide

    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.

  17. 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

  18. Implications of Lagrangian transport for coupled chemistry-climate simulations

    Science.gov (United States)

    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

  19. Microbial populations in an agronomically managed mollisol treated with simulated acid rain

    International Nuclear Information System (INIS)

    Miller, K.W.; Cole, M.A.; Banwart, W.L.

    1991-01-01

    A fertile well-buffered mollisol (Flanagan silt loam, fine montmorillonitic mesic Aquic Arguidoll) under cultivation with corn (Zea mays L.) and soybean [Glycine max (L.) Merr.] was subjected to simulated rain of pH 5.6, 4.2, and 3.0, while moisture-activated rain exclusion shelters provided protection from ambient rain. Soil was sampled to a depth of 3 cm on four dates throughout the 1985 growing season. The following microorganisms were enumerated by plate counts or most probable number: general heterotrophic bacteria, general soil fungi, free-living N-fixing bacteria, fluorescent pseudomonads, autotrophic ammonium-oxidizing, nitrite-oxidizing, and thio-sulfate-oxidizing bacteria. The ANOVA was used to determine the combined and individual effects of rain treatments, crop field, and sampling date. Crop field and sampling date affected microbial numbers more than rain treatments. Overall, rain treatment effects were limited to nitrite-oxidizing bacteria; lower numbers occurred in the corn field in subplots treated with rain of pH 4.2 and 3.0, and in the soybean field treated with rain of pH 3.0. The trend was strongest in June and July. In the corn field in subplots treated with rain of pH 3.0, numbers of thiosulfate-oxidizing bacteria were higher an numbers of general heterotrophic bacteria were lower; however, these trends were comparatively weak. Rain treatments caused essentially no decrease in soil pH, suggesting that acid rain constituents affect certain microbial populations without causing overt changes in pH. Because they appear to be unusually sensitive, nitrite-oxidizing bacteria could be used as experimental indicators of changes in soil microbial communities subjected to acid rain

  20. Biofilm formation and microbial community analysis of the simulated river bioreactor for contaminated source water remediation.

    Science.gov (United States)

    Xu, Xiang-Yang; Feng, Li-Juan; Zhu, Liang; Xu, Jing; Ding, Wei; Qi, Han-Ying

    2012-06-01

    The start-up pattern of biofilm remediation system affects the biofilm characteristics and operating performances. The objective of this study was to evaluate the performances of the contaminated source water remediation systems with different start-up patterns in view of the pollutants removal performances and microbial community succession. The operating performances of four lab-scale simulated river biofilm reactors were examined which employed different start-up methods (natural enrichment and artificial enhancement via discharging sediment with influent velocity gradient increase) and different bio-fillers (Elastic filler and AquaMats® ecobase). At the same time, the microbial communities of the bioreactors in different phases were analyzed by polymerase chain reaction, denaturing gradient gel electrophoresis, and sequencing. The pollutants removal performances became stable in the four reactors after 2 months' operation, with ammonia nitrogen and permanganate index (COD(Mn)) removal efficiencies of 84.41-94.21% and 69.66-76.60%, respectively. The biomass of mature biofilm was higher in the bioreactors by artificial enhancement than that by natural enrichment. Microbial community analysis indicated that elastic filler could enrich mature biofilm faster than AquaMats®. The heterotrophic bacteria diversity of biofilm decreased by artificial enhancement, which favored the ammonia-oxidizing bacteria (AOB) developing on the bio-fillers. Furthermore, Nitrosomonas- and Nitrosospira-like AOB coexisted in the biofilm, and Pseudomonas sp., Sphaerotilus sp., Janthinobacterium sp., Corynebacterium aurimucosum were dominant in the oligotrophic niche. Artificial enhancement via the combination of sediment discharging and influent velocity gradient increasing could enhance the biofilm formation and autotrophic AOB enrichment in oligotrophic niche.

  1. 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.

  2. 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

  3. 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.

  4. 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.

  5. Transport of microbial tracers in clean and organically contaminated silica sand in laboratory columns compared with their transport in the field

    International Nuclear Information System (INIS)

    Weaver, Louise; Sinton, Lester W.; Pang, Liping; Dann, Rod; Close, Murray

    2013-01-01

    Waste disposal on land and the consequent transport of bacterial and viral pathogens in soils and aquifers are of major concern worldwide. Pathogen transport can be enhanced in the presence of organic matter due to occupation of attachment sites in the aquifer materials thus preventing pathogen attachment leading to their faster transport for longer distances. Laboratory column studies were carried out to investigate the effect of organic matter, in the form of dissolved organic carbon (DOC), on the transport of Escherichia coli and MS2 phage in saturated clean silica sand. Transport rates of these microbial tracers were also studied in a contaminated field site. Laboratory column studies showed that low concentrations (0.17 mg L −1 ) of DOC had little effect on E. coli J6-2 removal and slightly reduced the attachment of MS2 phage. After progressive conditioning of the column with DOC (1.7 mg L −1 and 17 mg L −1 ), neither E. coli J6-2 nor MS2 phage showed any attachment and recovery rates increased dramatically (up to 100%). The results suggest that DOC can affect the transport rates of microbial contaminants. For E. coli J6-2 the predominant effect appeared to be an increase in the secondary energy minimum leading to an increase in E. coli attachment initially. However, after 17 mg L −1 DOC conditioning of the silica sand no attachment of E. coli was observed as the DOC took up attachment sites in the porous media. MS2 phage appeared to be affected predominantly by out-competition of binding sites in the clean silica sand and a steady reduction in attachment was observed as the DOC conditioning increased. Field study showed a high removal of both E. coli and MS2 phage, although E. coli was removed at a lower rate than MS2 phage. In the field it is likely that a combination of effects are seen as the aquifer material will be heterogeneous in its surface nanoscale properties, demonstrated by the differing removal of E. coli and MS2 phage compared to the

  6. Effect of simulated tillage on microbial autotrophic CO2 fixation in paddy and upland soils

    Science.gov (United States)

    Ge, Tida; Wu, Xiaohong; Liu, Qiong; Zhu, Zhenke; Yuan, Hongzhao; Wang, Wei; Whiteley, A. S.; Wu, Jinshui

    2016-01-01

    Tillage is a common agricultural practice affecting soil structure and biogeochemistry. To evaluate how tillage affects soil microbial CO2 fixation, we incubated and continuously labelled samples from two paddy soils and two upland soils subjected to simulated conventional tillage (CT) and no-tillage (NT) treatments. Results showed that CO2 fixation (14C-SOC) in CT soils was significantly higher than in NT soils. We also observed a significant, soil type- and depth-dependent effect of tillage on the incorporation rates of labelled C to the labile carbon pool. Concentrations of labelled C in the carbon pool significantly decreased with soil depth, irrespective of tillage. Additionally, quantitative PCR assays revealed that for most soils, total bacteria and cbbL-carrying bacteria were less abundant in CT versus NT treatments, and tended to decrease in abundance with increasing depth. However, specific CO2 fixation activity was significantly higher in CT than in NT soils, suggesting that the abundance of cbbL-containing bacteria may not always reflect their functional activity. This study highlights the positive effect of tillage on soil microbial CO2 fixation, and the results can be readily applied to the development of sustainable agricultural management. PMID:26795428

  7. Nitrogen removal and microbial communities in a three-stage system simulating a riparian environment.

    Science.gov (United States)

    Wang, Ziyuan; Wang, Zhixin; Pei, Yuansheng

    2014-06-01

    The riparian zone is an active interface for nitrogen removal, in which nitrogen transformations by microorganisms have not been valued. In this study, a three-stage system was constructed to simulate the riparian zone environments, and nitrogen removal as well as the microbial community was investigated in this 'engineered riparian system'. The results demonstrated that stage 1 of this system accounted for 41-51 % of total nitrogen removal. Initial ammonium loading and redox potential significantly impacted the nitrogen removal performances. Stages 1 and 2 were both composed of an anoxic/oxic (A/O) zone and an anaerobic column. The A/O zone removed most of the ammonium load (6.8 g/m(2)/day), while the anaerobic column showed a significant nitrate removal rate (11.1 g/m(2)/day). Molecular biological analysis demonstrated that bacterial diversity was high in the A/O zones, where ammonium-oxidizing bacteria and nitrite-oxidizing bacteria accounted for 8.42 and 3.32 % of the bacterial population, respectively. The denitrifying bacteria Acidovorax sp. and the nitrifying bacteria Nitrosospira/Nitrosomonas were the predominant microorganisms in this engineered riparian system. This three-stage system was established to achieve favorable nitrogen removal and the microbial community in the system was also retained. This investigation should deepen our understanding of biological nitrogen removal in engineered riparian zones.

  8. 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)

  9. 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

  10. 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)

  11. 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)....

  12. 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.

  13. 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.)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2003-12-01

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

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

    International Nuclear Information System (INIS)

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

    2003-12-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2003-12-01

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

  17. Molecular simulation of adsorption and transport in hierarchical porous materials.

    Science.gov (United States)

    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.

  18. 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)

  19. 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

  20. Numerical simulation of ion transport membrane reactors: Oxygen permeation and transport and fuel conversion

    KAUST Repository

    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.

  1. MATHEMATICAL SIMULATION OF THE INTERACTIONS AMONG CYANOBACTERIA, PURPLE SULFUR BACTERIA AND CHEMOTROPIC SULFUR BACTERIA IN MICROBIAL MAT COMMUNITIES

    NARCIS (Netherlands)

    DEWIT, R; VANDENENDE, FP; VANGEMERDEN, H

    A deterministic one-dimensional reaction diffusion model was constructed to simulate benthic stratification patterns and population dynamics of cyanobacteria, purple and colorless sulfur bacteria as found in marine microbial mats. The model involves the major biogeochemical processes of the sulfur

  2. Reusing salad from salad bars – simulating the effects on product loss, microbial safety and product quality

    NARCIS (Netherlands)

    Tromp, S.O.; Rijgersberg, H.; Franz, E.

    2012-01-01

    The goal of this study is to model the effects of reusing salad from salad bars to reduce product loss, while keeping microbial safety and product quality at acceptable levels. We, therefore, expand our previously developed simulation model by incorporating reuse strategies and a quality decay

  3. SITHA program for simulating hadron transport in the 100-1010eV energy range. Simulation of neutron transport with E6 eV

    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

  4. 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

  5. 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

  6. Parallelization of a Monte Carlo particle transport simulation code

    Science.gov (United States)

    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.

  7. 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.

  8. 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)

  9. 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

  10. Divergent taxonomic and functional responses of microbial communities to field simulation of aeolian soil erosion and deposition.

    Science.gov (United States)

    Ma, Xingyu; Zhao, Cancan; Gao, Ying; Liu, Bin; Wang, Tengxu; Yuan, Tong; Hale, Lauren; Nostrand, Joy D Van; Wan, Shiqiang; Zhou, Jizhong; Yang, Yunfeng

    2017-08-01

    Aeolian soil erosion and deposition have worldwide impacts on agriculture, air quality and public health. However, ecosystem responses to soil erosion and deposition remain largely unclear in regard to microorganisms, which are the crucial drivers of biogeochemical cycles. Using integrated metagenomics technologies, we analysed microbial communities subjected to simulated soil erosion and deposition in a semiarid grassland of Inner Mongolia, China. As expected, soil total organic carbon and plant coverage were decreased by soil erosion, and soil dissolved organic carbon (DOC) was increased by soil deposition, demonstrating that field simulation was reliable. Soil microbial communities were altered (p soil erosion and deposition, with dramatic increase in Cyanobacteria related to increased stability in soil aggregates. amyA genes encoding α-amylases were specifically increased (p = .01) by soil deposition and positively correlated (p = .02) to DOC, which likely explained changes in DOC. Surprisingly, most of microbial functional genes associated with carbon, nitrogen, phosphorus and potassium cycling were decreased or unaltered by both erosion and deposition, probably arising from acceleration of organic matter mineralization. These divergent responses support the necessity to include microbial components in evaluating ecological consequences. Furthermore, Mantel tests showed strong, significant correlations between soil nutrients and functional structure but not taxonomic structure, demonstrating close relevance of microbial function traits to nutrient cycling. © 2017 John Wiley & Sons Ltd.

  11. 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.

  12. 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

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

    Energy Technology Data Exchange (ETDEWEB)

    Lovley, Derek R.

    2012-10-31

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

  14. 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

  15. 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

  16. STRUCTURE AND FUNCTION OF SUBSURFACE MICROBIAL COMMUNITIES AFFECTING RADIONUCLIDE TRANSPORT AND BIOIMMOBILIZATION

    Energy Technology Data Exchange (ETDEWEB)

    Joel E. Kostka; Lee Kerkhof; Kuk-Jeong Chin; Martin Keller; Joseph W. Stucki

    2011-06-15

    are new to science all show high sequence identity to sequences retrieved from ORFRC subsurface. (2) Based on physiological and phylogenetic characterization, two new species of subsurface bacteria were described: the metal-reducer Geobacter daltonii, and the denitrifier Rhodanobacter denitrificans. (3) Strains isolated from the ORFRC show that Rhodanobacter species are well adapted to the contaminated subsurface. Strains 2APBS1 and 116-2 grow at high salt (3% NaCl), low pH (3.5) and tolerate high concentrations of nitrate (400mM) and nitrite (100mM). Strain 2APBS1 was demonstrated to grow at in situ acidic pHs down to 2.5. (4) R. denitrificans strain 2APBS1 is the first described Rhodanobacter species shown to denitrify. Nitrate is almost entirely converted to N2O, which may account for the large accumulation of N2O in the ORFRC subsurface. (5) G. daltonii, isolated from uranium- and hydrocarbon-contaminated subsurface sediments of the ORFRC, is the first organism from the subsurface clade of the genus Geobacter that is capable of growth on aromatic hydrocarbons. (6) High quality draft genome sequences and a complete eco-physiological description are completed for R. denitrificans strain 2APBS1 and G. daltonii strain FRC-32. (7) Given their demonstrated relevance to DOE remediation efforts and the availability of detailed genotypic/phenotypic characterization, Rhodanobacter denitrificans strain 2APBS1 and Geobacter daltonii strain FRC-32 represent ideal model organisms to provide a predictive understanding of subsurface microbial activity through metabolic modeling. Tasks II and III-Diversity and distribution of active anaerobes and Mechanisms linking electron transport and the fate of radionuclides: (1) Our study showed that members of genus Rhodanobacter and Geobacter are abundant and active in the uranium and nitrate contaminated subsurface. In the contaminant source zone of the Oak Ridge site, Rhodanobacter spp. are the predominant, active organisms detected

  17. Evaluation of the Universal Viral Transport system for long-term storage of virus specimens for microbial forensics.

    Science.gov (United States)

    Hosokawa-Muto, Junji; Fujinami, Yoshihito; Mizuno, Natsuko

    2015-08-01

    Forensic microbial specimens, including bacteria and viruses, are collected at biocrime and bioterrorism scenes. Although it is preferable that the pathogens in these samples are alive and kept in a steady state, the samples may be stored for prolonged periods before analysis. Therefore, it is important to understand the effects of storage conditions on the pathogens contained within such samples. To evaluate the capacity to preserve viable virus and the viral genome, influenza virus was added to the transport medium of the Universal Viral Transport system and stored for over 3 months at various temperatures, after which virus titrations and quantitative analysis of the influenza hemagglutinin gene were performed. Although viable viruses became undetectable 29 days after the medium was stored at room temperature, viruses in the medium stored at 4°C were viable even after 99 days. A quantitative PCR analysis indicated that the hemagglutinin gene was maintained for 99 days at both 4°C and room temperature. Therefore, long-term storage at 4°C has little effect on viable virus and viral genes, so the Universal Viral Transport system can be useful for microbial forensics. This study provides important information for the handling of forensic virus specimens. Copyright © 2015 Elsevier Ltd and Faculty of Forensic and Legal Medicine. All rights reserved.

  18. 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)

  19. 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)

  20. 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)

  1. 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)

  2. A mobile-mobile transport model for simulating reactive transport in connected heterogeneous fields

    Science.gov (United States)

    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.

  3. A Workflow to Model Microbial Loadings in Watersheds

    Science.gov (United States)

    Many watershed models simulate overland and instream microbial fate and transport, but few actually provide loading rates on land surfaces and point sources to the water body network. This paper describes the underlying general equations for microbial loading rates associated wit...

  4. A Workflow to Model Microbial Loadings in Watersheds (proceedings)

    Science.gov (United States)

    Many watershed models simulate overland and instream microbial fate and transport, but few actually provide loading rates on land surfaces and point sources to the water body network. This paper describes the underlying general equations for microbial loading rates associated wit...

  5. 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

  6. Thermal transport in semicrystalline polyethylene by molecular dynamics simulation

    Science.gov (United States)

    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.

  7. 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.

  8. 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

  9. 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.

  10. Microbial community evolution during simulated managed aquifer recharge in response to different biodegradable dissolved organic carbon (BDOC) concentrations

    KAUST Repository

    Li, Dong

    2013-05-01

    This study investigates the evolution of the microbial community in laboratory-scale soil columns simulating the infiltration zone of managed aquifer recharge (MAR) systems and analogous natural aquifer sediment ecosystems. Parallel systems were supplemented with either moderate (1.1 mg/L) or low (0.5 mg/L) biodegradable dissolved organic carbon (BDOC) for a period of six months during which time, spatial (1 cm, 30 cm, 60 cm, 90 cm, and 120 cm) and temporal (monthly) analyses of sediment-associated microbial community structure were analyzed. Total microbial biomass associated with sediments was positively correlated with BDOC concentration where a significant decline in BDOC was observed along the column length. Analysis of 16S rRNA genes indicated dominance by Bacteria with Archaea comprising less than 1 percent of the total community. Proteobacteria was found to be the major phylum in samples from all column depths with contributions from Betaproteobacteria, Alphaproteobacteria and Gammaproteobacteria. Microbial community structure at all the phylum, class and genus levels differed significantly at 1 cm between columns receiving moderate and low BDOC concentrations; in contrast strong similarities were observed both between parallel column systems and across samples from 30 to 120 cm depths. Samples from 1 cm depth of the low BDOC columns exhibited higher microbial diversity (expressed as Shannon Index) than those at 1 cm of moderate BDOC columns, and both increased from 5.4 to 5.9 at 1 cm depth to 6.7-8.3 at 30-120 cm depths. The microbial community structure reached steady state after 3-4 months since the initiation of the experiment, which also resulted in an improved DOC removal during the same time period. This study suggested that BDOC could significantly influence microbial community structure regarding both composition and diversity of artificial MAR systems and analogous natural aquifer sediment ecosystems. © 2013 Elsevier Ltd.

  11. Compositional differences in simulated root exudates elicit a limited functional and compositional response in soil microbial communities.

    Science.gov (United States)

    Strickland, Michael S; McCulley, Rebecca L; Nelson, Jim A; Bradford, Mark A

    2015-01-01

    Inputs of low molecular weight carbon (LMW-C) to soil - primarily via root exudates- are expected to be a major driver of microbial activity and source of stable soil organic carbon. It is expected that variation in the type and composition of LMW-C entering soil will influence microbial community composition and function. If this is the case then short-term changes in LMW-C inputs may alter processes regulated by these communities. To determine if change in the composition of LMW-C inputs influences microbial community function and composition, we conducted a 90 day microcosm experiment whereby soils sourced from three different land covers (meadows, deciduous forests, and white pine stands) were amended, at low concentrations, with one of eight simulated root exudate treatments. Treatments included no addition of LMW-C, and the full factorial combination of glucose, glycine, and oxalic acid. After 90 days, we conducted a functional response assay and determined microbial composition via phospholipid fatty acid analysis. Whereas we noted a statistically significant effect of exudate treatments, this only accounted for ∼3% of the variation observed in function. In comparison, land cover and site explained ∼46 and ∼41% of the variation, respectively. This suggests that exudate composition has little influence on function compared to site/land cover specific factors. Supporting the finding that exudate effects were minor, we found that an absence of LMW-C elicited the greatest difference in function compared to those treatments receiving any LMW-C. Additionally, exudate treatments did not alter microbial community composition and observable differences were instead due to land cover. These results confirm the strong effects of land cover/site legacies on soil microbial communities. In contrast, short-term changes in exudate composition, at meaningful concentrations, may have little impact on microbial function and composition.

  12. Functional response of a near-surface soil microbial community to a simulated underground CO2 storage leak.

    Science.gov (United States)

    Morales, Sergio E; Holben, William E

    2013-01-01

    Understanding the impacts of leaks from geologic carbon sequestration, also known as carbon capture and storage, is key to developing effective strategies for carbon dioxide (CO2) emissions management and mitigation of potential negative effects. Here, we provide the first report on the potential effects of leaks from carbon capture and storage sites on microbial functional groups in surface and near-surface soils. Using a simulated subsurface CO2 storage leak scenario, we demonstrate how CO2 flow upward through the soil column altered both the abundance (DNA) and activity (mRNA) of microbial functional groups mediating carbon and nitrogen transformations. These microbial responses were found to be seasonally dependent and correlated to shifts in atmospheric conditions. While both DNA and mRNA levels were affected by elevated CO2, they did not react equally, suggesting two separate mechanisms for soil microbial community response to high CO2 levels. The results did not always agree with previous studies on elevated atmospheric (rather than subsurface) CO2 using FACE (Free-Air CO2 Enrichment) systems, suggesting that microbial community response to CO2 seepage from the subsurface might differ from its response to atmospheric CO2 increases.

  13. 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

  14. Exciton Transport Simulations in Phenyl Cored Thiophene Dendrimers

    Science.gov (United States)

    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.

  15. 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

  16. Visualizing functional motions of membrane transporters with molecular dynamics simulations.

    Science.gov (United States)

    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.

  17. 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.

  18. The Application of Neutron Transport Green's Functions to Threat Scenario Simulation

    Science.gov (United States)

    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.

  19. Succession of Hydrocarbon Degradation and Microbial Diversity during a Simulated Petroleum Seepage in Caspian Sea Sediments

    Science.gov (United States)

    Mishra, S.; Stagars, M.; Wefers, P.; Schmidt, M.; Knittel, K.; Krueger, M.; Leifer, I.; Treude, T.

    2016-02-01

    Microbial degradation of petroleum was investigated in intact sediment cores of Caspian Sea during a simulated petroleum seepage using a sediment-oil-flow-through (SOFT) system. Over the course of the SOFT experiment (190 days), distinct redox zones established and evolved in the sediment core. Methanogenesis and sulfate reduction were identified to be important processes in the anaerobic degradation of hydrocarbons. C1 to C6 n-alkanes were completely exhausted in the sulfate-reducing zone and some higher alkanes decreased during the upward migration of petroleum. A diversity of sulfate-reducing bacteria was identified by 16s rRNA phylogenetic studies, some of which are associated with marine seeps and petroleum degradation. The δ13C signal of produced methane decreased from -33.7‰ to -49.5‰ indicating crude oil degradation by methanogenesis, which was supported by enrichment culturing of methanogens with petroleum hydrocarbons and presence of methanogenic archaea. The SOFT system is, to the best of our knowledge, the first system that simulates an oil-seep like condition and enables live monitoring of biogeochemical changes within a sediment core during petroleum seepage. During our presentation we will compare the Caspian Sea data with other sediments we studied using the SOFT system from sites such as Santa Barbara (Pacific Ocean), the North Alex Mud Volcano (Mediterranean Sea) and the Eckernfoerde Bay (Baltic Sea). This research was funded by the Deutsche Forschungsgemeinschaft (SPP 1319) and DEA Deutsche Erdoel AG. Further support came from the Helmholtz and Max Planck Gesellschaft.

  20. Transport of microbial tracers in clean and organically contaminated silica sand in laboratory columns compared with their transport in the field

    Energy Technology Data Exchange (ETDEWEB)

    Weaver, Louise, E-mail: louise.weaver@esr.cri.nz; Sinton, Lester W.; Pang, Liping; Dann, Rod; Close, Murray

    2013-01-15

    Waste disposal on land and the consequent transport of bacterial and viral pathogens in soils and aquifers are of major concern worldwide. Pathogen transport can be enhanced in the presence of organic matter due to occupation of attachment sites in the aquifer materials thus preventing pathogen attachment leading to their faster transport for longer distances. Laboratory column studies were carried out to investigate the effect of organic matter, in the form of dissolved organic carbon (DOC), on the transport of Escherichia coli and MS2 phage in saturated clean silica sand. Transport rates of these microbial tracers were also studied in a contaminated field site. Laboratory column studies showed that low concentrations (0.17 mg L{sup −1}) of DOC had little effect on E. coli J6-2 removal and slightly reduced the attachment of MS2 phage. After progressive conditioning of the column with DOC (1.7 mg L{sup −1} and 17 mg L{sup −1}), neither E. coli J6-2 nor MS2 phage showed any attachment and recovery rates increased dramatically (up to 100%). The results suggest that DOC can affect the transport rates of microbial contaminants. For E. coli J6-2 the predominant effect appeared to be an increase in the secondary energy minimum leading to an increase in E. coli attachment initially. However, after 17 mg L{sup −1} DOC conditioning of the silica sand no attachment of E. coli was observed as the DOC took up attachment sites in the porous media. MS2 phage appeared to be affected predominantly by out-competition of binding sites in the clean silica sand and a steady reduction in attachment was observed as the DOC conditioning increased. Field study showed a high removal of both E. coli and MS2 phage, although E. coli was removed at a lower rate than MS2 phage. In the field it is likely that a combination of effects are seen as the aquifer material will be heterogeneous in its surface nanoscale properties, demonstrated by the differing removal of E. coli and MS2 phage

  1. The importance of OH − transport through anion exchange membrane in microbial electrolysis cells

    KAUST Repository

    Ye, Yaoli; Logan, Bruce

    2018-01-01

    In two-chamber microbial electrolysis cells (MECs) with anion exchange membranes (AEMs), a phosphate buffer solution (PBS) is typically used to avoid increases in catholyte pH as Nernst equation calculations indicate that high pHs adversely impact

  2. Description of the microbial ecology evaluation device, flight equipment, and ground transporter

    Science.gov (United States)

    Chassay, C. E.; Taylor, G. R.

    1973-01-01

    Exposure of test systems in space required the fabrication of specialized hardware termed a Microbial Ecology Evaluation Device that had individual test chambers and a complex optical filter system. The characteristics of this device and the manner in which it was deployed in space are described.

  3. 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.

  4. Radiochemically-Supported Microbial Communities: A Potential Mechanism for Biocolloid Production of Importance to Actinide Transport

    Energy Technology Data Exchange (ETDEWEB)

    Moser, Duane P. [Desert Research Inst., Nevada University, Reno, NV (United States); Hamilton-Brehm, Scott D. [Desert Research Inst., Nevada University, Reno, NV (United States); Fisher, Jenny C. [Desert Research Inst., Nevada University, Reno, NV (United States); Bruckner, James C. [Desert Research Inst., Nevada University, Reno, NV (United States); Kruger, Brittany [Desert Research Inst., Nevada University, Reno, NV (United States); Sackett, Joshua [Desert Research Inst., Nevada University, Reno, NV (United States); Russell, Charles E. [Desert Research Inst., Nevada University, Reno, NV (United States); Onstott, Tullis C. [Princeton Univ., NJ (United States); Czerwinski, Ken [Univ. of Nevada, Las Vegas, NV (United States); Zavarin, Mavrik [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Campbell, James H. [Northwest Missouri State Univ., Maryville, MO (United States)

    2014-06-01

    Due to the legacy of Cold War nuclear weapons testing, the Nevada National Security Site (NNSS, formerly known as the Nevada Test Site (NTS)) contains millions of Curies of radioactive contamination. Presented here is a summary of the results of the first comprehensive study of subsurface microbial communities of radioactive and nonradioactive aquifers at this site. To achieve the objectives of this project, cooperative actions between the Desert Research Institute (DRI), the Nevada Field Office of the National Nuclear Security Administration (NNSA), the Underground Test Area Activity (UGTA), and contractors such as Navarro-Interra (NI), were required. Ultimately, fluids from 17 boreholes and two water-filled tunnels were sampled (sometimes on multiple occasions and from multiple depths) from the NNSS, the adjacent Nevada Test and Training Range (NTTR), and a reference hole in the Amargosa Valley near Death Valley. The sites sampled ranged from highly-radioactive nuclear device test cavities to uncontaminated perched and regional aquifers. Specific areas sampled included recharge, intermediate, and discharge zones of a 100,000-km2 internally-draining province, known as the Death Valley Regional Flow System (DVRFS), which encompasses the entirety of the NNSS/NTTR and surrounding areas. Specific geological features sampled included: West Pahute and Ranier Mesas (recharge zone), Yucca and Frenchman Flats (transitional zone), and the Western edge of the Amargosa Valley near Death Valley (discharge zone). The original overarching question underlying the proposal supporting this work was stated as: Can radiochemically-produced substrates support indigenous microbial communities and subsequently stimulate biocolloid formation that can affect radionuclides in NNSS subsurface nuclear test/detonation sites? Radioactive and non-radioactive groundwater samples were thus characterized for physical parameters, aqueous geochemistry, and microbial communities using both DNA- and

  5. The effect of hysteresis on microbial activity in computer simulation models

    NARCIS (Netherlands)

    Whitmore, A.P.; Heinen, M.

    1999-01-01

    Microbial activity in soils depends on the status or the soil water, which is expressed by pressure head (h) or water content (θ). There is no unique relationship between θ and h because moisture relations exhibit hysteresis. For convenience microbial activity has usually been related to the main

  6. 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}.

  7. Hydrogeochemistry and simulated solute transport, Piceance Basin, northwestern Colorado

    Science.gov (United States)

    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)

  8. Transport simulation of mangoes irradiated for exportation; Simulacao do transporte de mangas irradiadas para exportacao

    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)

  9. 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.

  10. 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)

  11. 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.

  12. Minimization for conditional simulation: Relationship to optimal transport

    Science.gov (United States)

    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.

  13. 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

  14. Triclosan affects the microbial community in simulated sewage-drain-field soil and slows down xenobiotic degradation

    Energy Technology Data Exchange (ETDEWEB)

    Svenningsen, Hanne [Department of Geochemistry, Geological Survey of Denmark and Greenland (GEUS), Oster Voldgade 10, DK-1350 Copenhagen K (Denmark); Department of Biology, University of Copenhagen, Solvgade 83H, DK-1307 Copenhagen K (Denmark); Henriksen, Trine [Department of Geochemistry, Geological Survey of Denmark and Greenland (GEUS), Oster Voldgade 10, DK-1350 Copenhagen K (Denmark); Prieme, Anders [Department of Biology, University of Copenhagen, Solvgade 83H, DK-1307 Copenhagen K (Denmark); Johnsen, Anders R., E-mail: arj@geus.dk [Department of Geochemistry, Geological Survey of Denmark and Greenland (GEUS), Oster Voldgade 10, DK-1350 Copenhagen K (Denmark)

    2011-06-15

    Effects of the common antibacterial agent triclosan on microbial communities and degradation of domestic xenobiotics were studied in simulated sewage-drain-field soil. Cultivable microbial populations decreased 22-fold in the presence of 4 mg kg{sup -1} of triclosan, and triclosan-resistant Pseudomonas strains were strongly enriched. Exposure to triclosan also changed the general metabolic profile (Ecoplate substrate profiling) and the general profile (T-RFLP) of the microbial community. Triclosan degradation was slow at all concentrations tested (0.33-81 mg kg{sup -1}) during 50-days of incubation. Mineralization experiments ({sup 14}C-tracers) and chemical analyses (LC-MS/MS) showed that the persistence of a linear alkylbenzene sulfonate (LAS) and a common analgesic (ibuprofen) increased with increasing triclosan concentrations (0.16-100 mg kg{sup -1}). The largest effect was seen for LAS mineralization which was severely reduced by 0.16 mg kg{sup -1} of triclosan. Our findings indicate that environmentally realistic concentrations of triclosan may affect the efficiency of biodegradation in percolation systems. - Highlights: > Triclosan may enter the soil environment through sewage. > Triclosan impacts the microbial community in sewage-drain-field soil. > Triclosan-resistant pseudomonads are strongly enriched. > Degradation of co-occurring LAS and ibuprofen is reduced. - Environmentally realistic triclosan concentrations in percolation systems may reduce the biodegradation of other xenobiotics and select for triclosan-resistant bacteria.

  15. Triclosan affects the microbial community in simulated sewage-drain-field soil and slows down xenobiotic degradation

    International Nuclear Information System (INIS)

    Svenningsen, Hanne; Henriksen, Trine; Prieme, Anders; Johnsen, Anders R.

    2011-01-01

    Effects of the common antibacterial agent triclosan on microbial communities and degradation of domestic xenobiotics were studied in simulated sewage-drain-field soil. Cultivable microbial populations decreased 22-fold in the presence of 4 mg kg -1 of triclosan, and triclosan-resistant Pseudomonas strains were strongly enriched. Exposure to triclosan also changed the general metabolic profile (Ecoplate substrate profiling) and the general profile (T-RFLP) of the microbial community. Triclosan degradation was slow at all concentrations tested (0.33-81 mg kg -1 ) during 50-days of incubation. Mineralization experiments ( 14 C-tracers) and chemical analyses (LC-MS/MS) showed that the persistence of a linear alkylbenzene sulfonate (LAS) and a common analgesic (ibuprofen) increased with increasing triclosan concentrations (0.16-100 mg kg -1 ). The largest effect was seen for LAS mineralization which was severely reduced by 0.16 mg kg -1 of triclosan. Our findings indicate that environmentally realistic concentrations of triclosan may affect the efficiency of biodegradation in percolation systems. - Highlights: → Triclosan may enter the soil environment through sewage. → Triclosan impacts the microbial community in sewage-drain-field soil. → Triclosan-resistant pseudomonads are strongly enriched. → Degradation of co-occurring LAS and ibuprofen is reduced. - Environmentally realistic triclosan concentrations in percolation systems may reduce the biodegradation of other xenobiotics and select for triclosan-resistant bacteria.

  16. Compositional differences in simulated root exudates elicit a limited functional and compositional response in soil microbial communities

    Directory of Open Access Journals (Sweden)

    Michael S Strickland

    2015-08-01

    Full Text Available Inputs of low molecular weight carbon (LMW-C to soil −primarily via root exudates− are expected to be a major driver of microbial activity and source of stable soil organic carbon. It is expected that variation in the type and composition of LMW-C entering soil will influence microbial community composition and function. If this is the case then short-term changes in LMW-C inputs may alter processes regulated by these communities. To determine if change in the composition of LMW-C inputs influences microbial community function and composition, we conducted a 90 day microcosm experiment whereby soils sourced from three different land covers (meadows, deciduous forests, and white pine stands were amended, at low concentrations, with one of eight simulated root exudate treatments. Treatments included no addition of LMW-C, and the full factorial combination of glucose, glycine, and oxalic acid. After 90 days, we conducted a functional response assay and determined microbial composition via phospholipid fatty acid analysis. Whereas we noted a statistically significant effect of exudate treatments, this only accounted for ~3% of the variation observed in function. In comparison, land cover and site explained ~46 and ~41% of the variation, respectively. This suggests that exudate composition has little influence on function

  17. Microbial growth in Acrocomia aculeata pulp oil, Jatropha curcas oil, and their respective biodiesels under simulated storage conditions

    Directory of Open Access Journals (Sweden)

    Juciana Clarice Cazarolli

    2016-12-01

    Full Text Available With increasing demands for biodiesel in Brazil, diverse oil feedstocks have been investigated for their potentials for biodiesel production. Due to the high biodegradability of natural oils and their respective biodiesels, microbial growths and consequent deterioration of final product quality are generally observed during storage. This study was aimed at evaluating the susceptibility of Acrocomia aculeata pulp oil and Jatropha curcas oil as well as their respective biodiesels to biodeterioration during a simulated storage period. The experiment was conducted in microcosms containing oil/biodiesel and an aqueous phase over 30 d. The levels of microbial contamination included biodiesel and oil as received, inoculated with fungi, and sterile. Samples were collected every 7 d to measure pH, surface tension, acidity index, and microbial biomass. The initial and final ester contents of the biodiesels were also determined by gas chromatography. The major microbial biomass was detected in A. aculeata pulp and J. curcas biodiesels. Significant reductions in pH values were observed for treatments with A. aculeata pulp biodiesel as a carbon source (p

  18. A simulation model for intermodal freight transportation in Louisiana.

    Science.gov (United States)

    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...

  19. 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)

  20. QMRAcatch: Microbial Quality Simulation of Water Resources including Infection Risk Assessment.

    Science.gov (United States)

    Schijven, Jack; Derx, Julia; de Roda Husman, Ana Maria; Blaschke, Alfred Paul; Farnleitner, Andreas H

    2015-09-01

    Given the complex hydrologic dynamics of water catchments and conflicts between nature protection and public water supply, models may help to understand catchment dynamics and evaluate contamination scenarios and may support best environmental practices and water safety management. A catchment model can be an educative tool for investigating water quality and for communication between parties with different interests in the catchment. This article introduces an interactive computational tool, QMRAcatch, that was developed to simulate concentrations in water resources of , a human-associated microbial source tracking (MST) marker, enterovirus, norovirus, , and as target microorganisms and viruses (TMVs). The model domain encompasses a main river with wastewater discharges and a floodplain with a floodplain river. Diffuse agricultural sources of TMVs that discharge into the main river are not included in this stage of development. The floodplain river is fed by the main river and may flood the plain. Discharged TMVs in the river are subject to dilution and temperature-dependent degradation. River travel times are calculated using the Manning-Gauckler-Strickler formula. Fecal deposits from wildlife, birds, and visitors in the floodplain are resuspended in flood water, runoff to the floodplain river, or infiltrate groundwater. Fecal indicator and MST marker data facilitate calibration. Infection risks from exposure to the pathogenic TMVs by swimming or drinking water consumption are calculated, and the required pathogen removal by treatment to meet a health-based quality target can be determined. Applicability of QMRAcatch is demonstrated by calibrating the tool for a study site at the River Danube near Vienna, Austria, using field TMV data, including a sensitivity analysis and evaluation of the model outcomes. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

  1. Transport link scanner: simulating geographic transport network expansion through individual investments

    Science.gov (United States)

    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.

  2. Advanced Monte Carlo for radiation physics, particle transport simulation and applications. Proceedings

    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)

  3. Microbially Induced Calcite Precipitation (MICP) - A Technology for Managing Flow and Transport in Porous and Fractured Media

    Science.gov (United States)

    Phillips, A. J.; Hiebert, R.; Kirksey, J.; Lauchnor, E. G.; Rothman, A.; Spangler, L.; Esposito, R.; Gerlach, R.; Cunningham, A. B.

    2014-12-01

    Certain microorganisms e.g., Sporosarcina pasteurii contribute enzymes that catalyze reactions which in the presence of calcium, can create saturation conditions favorable for calcium carbonate precipitation (microbially-induced calcium carbonate precipitation (MICP)). MICP can be used for a number of engineering applications including securing geologic storage of CO2 or other fluids by sealing fractures, improving wellbore integrity, and stabilizing fractured and unstable porous media. MICP treatment has the advantage of the use of small microorganisms, ~2μm, suggesting applicability to treatment of small aperture fractures not accessible to traditional treatments, for example the use of fine cement. The promotion of MICP in the subsurface is a complex reactive transport problem coupling microbial, abiotic (geochemical), geomechanical and hydrodynamic processes. In the laboratory, MICP has been demonstrated to cement together heavily fractured shale and reduce the permeability of fractures in shale and sandstone cores up to five orders of magnitude under both ambient and subsurface relevant pressure conditions (Figure 1). Most recently, a MICP fracture treatment field study was performed at a well at the Southern Company Gorgas Steam Generation Plant (Alabama) (Figure 1). The Fayetteville Sandstone at approximately 1120' below ground surface was hydraulically fractured prior to MICP treatment. After 4 days of injection of 24 calcium pulses and 6 microbial inoculations, injectivity of brine into the formation was significantly reduced. The experiment also resulted in a reduction in pressure decay which is a measure of improved wellbore integrity. These promising results suggest the potential for MICP treatment to seal fractured pathways at the field scale to improve the long-term security of geologically-stored carbon dioxide or prevent leakage of shale gas or hydraulic fracturing fluids into functional overlying aquifers, reducing environmental impacts.

  4. Microbial mediation of radionuclide transport -significance for the nuclear fuel waste management program

    International Nuclear Information System (INIS)

    Champ, D.R.

    1984-08-01

    The role that microbially catalyzed processes may play in determining, or altering, radionuclide migration is an unresolved question in the Nuclear Fuel Waste Management Program. This report documents the results of a review of the available information on the existence and biochemical capabilities of micro-organisms and the potential for their involvement in processes affecting the migration of radionuclides of interest. The potential was judged sufficient to warrant conducting experiments to assess their role. The outline of an experimental program to address the role of micro-organisms is presented

  5. Effects of degradable protein and non-fibre carbohydrates on microbial growth and fermentation in the rumen simulating fermenter (Rusitec

    Directory of Open Access Journals (Sweden)

    Xiang H. Zhao

    2015-05-01

    Full Text Available A rumen simulation technique (Rusitec apparatus with eight 800 ml fermentation vessels was used to investigate the effects of rumen degradable protein (RDP level and non-fibre carbohydrate (NFC type on ruminal fermentation, microbial growth, and populations of ruminal cellulolytic bacteria. Treatments consisted of two NFC types (starch and pectin supplemented with 0 g/d (low RDP or 1.56 g/d (high RDP sodium caseinate. Apparent disappearance of dry matter and organic matter was greater for pectin than for starch treatment (P<0.01 with low or high RDP. A NFC × RDP interaction was observed for neutral detergent fibre disappearance (P=0.01, which was lower for pectin than for starch only under low RDP conditions. Compared with starch, pectin treatment increased the copy numbers of Ruminococcus albus (P≤0.01 and Ruminococcus flavefaciens (P≤0.09, the molar proportion of acetate (P<0.01, the acetate:propionate ratio (P<0.01, and methane production (P<0.01, but reduced the propionate proportion (P<0.01. Increasing dietary RDP increased the production of total VFA (P=0.01, methane (P<0.01, ammonia N (P<0.01, and microbial N (P<0.01. Significant NFC × RDP interaction and interaction tendency were observed for ammonia N production (P=0.01 and daily N flow of total microorganisms (P=0.07, which did not differ under low RDP conditions, but pectin produced greater microbial N and less ammonia N than starch with increased RDP. Results showed NFC type, RDP level, and their interaction affected ruminal fermentation and microbial growth, and under sufficient ruminal degradable N pectin had greater advantage in microbial N synthesis than starch in vitro.

  6. 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.

  7. 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

  8. Modeling requirements for full-scope reactor simulators of fission-product transport during severe accidents

    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

  9. Microbial community evolution during simulated managed aquifer recharge in response to different biodegradable dissolved organic carbon (BDOC) concentrations.

    Science.gov (United States)

    Li, Dong; Alidina, Mazahirali; Ouf, Mohamed; Sharp, Jonathan O; Saikaly, Pascal; Drewes, Jörg E

    2013-05-01

    This study investigates the evolution of the microbial community in laboratory-scale soil columns simulating the infiltration zone of managed aquifer recharge (MAR) systems and analogous natural aquifer sediment ecosystems. Parallel systems were supplemented with either moderate (1.1 mg/L) or low (0.5 mg/L) biodegradable dissolved organic carbon (BDOC) for a period of six months during which time, spatial (1 cm, 30 cm, 60 cm, 90 cm, and 120 cm) and temporal (monthly) analyses of sediment-associated microbial community structure were analyzed. Total microbial biomass associated with sediments was positively correlated with BDOC concentration where a significant decline in BDOC was observed along the column length. Analysis of 16S rRNA genes indicated dominance by Bacteria with Archaea comprising less than 1 percent of the total community. Proteobacteria was found to be the major phylum in samples from all column depths with contributions from Betaproteobacteria, Alphaproteobacteria and Gammaproteobacteria. Microbial community structure at all the phylum, class and genus levels differed significantly at 1 cm between columns receiving moderate and low BDOC concentrations; in contrast strong similarities were observed both between parallel column systems and across samples from 30 to 120 cm depths. Samples from 1 cm depth of the low BDOC columns exhibited higher microbial diversity (expressed as Shannon Index) than those at 1 cm of moderate BDOC columns, and both increased from 5.4 to 5.9 at 1 cm depth to 6.7-8.3 at 30-120 cm depths. The microbial community structure reached steady state after 3-4 months since the initiation of the experiment, which also resulted in an improved DOC removal during the same time period. This study suggested that BDOC could significantly influence microbial community structure regarding both composition and diversity of artificial MAR systems and analogous natural aquifer sediment ecosystems. Copyright © 2013 Elsevier Ltd

  10. Radiochemically-supported microbial communities. A potential mechanism for biocolloid production of importance to actinide transport

    Energy Technology Data Exchange (ETDEWEB)

    Moser, Duane P. [Desert Research Institute, Las Vegas, NV (United States); Hamilton-Brehm, Scott D. [Desert Research Institute, Las Vegas, NV (United States); Fisher, Jenny C. [Univ. of Wisconsin, Milwaukee, WI (United States); Bruckner, James C. [Desert Research Institute, Las Vegas, NV (United States); Kruger, Brittany [Desert Research Institute, Las Vegas, NV (United States); Sackett, Joshua [Desert Research Institute, Las Vegas, NV (United States); Russell, Charles E. [Desert Research Institute, Las Vegas, NV (United States); Onstott, Tullis C. [Princeton Univ., NJ (United States); Czerwinski, Ken [Univ. of Nevada, Las Vegas, NV (United States); Zavarin, Mavrik [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Campbell, James H. [Northwest Missouri State Univ., Maryville, MO (United States)

    2015-03-20

    The work described here revealed the presence of diverse microbial communities located across 19 subsurface sites at the NNSS/NTTR and nearby locations. Overall, the diversity of microorganisms was high for subsurface habitats and variable between sites. As of this writing, preparations are being made to combine the Illumina sequences and 16S rRNA clone libraries with other non-NNSS/NTTR well sites of Southern Nevada Regional Flow System for a publication manuscript describing our very broad landscape scale survey of subsurface microbial diversity. Isolates DRI-13 and DRI-14 remain to be fully characterized and named in accordance with the conventions established by Bergey's Manual of Systematic Bacteriology. In preparation to be published, these microorganisms will be submitted to the American Type Culture Collection (ATCC) and the Deutsche Sammlung von Mikroorganismen und Zellkulturen GmbH (DSMZ).It is anticipated that the data resulting from this study in combination with other data sets that will allow us to produce a number of publications that will be impactful to the subsurface microbiology community.

  11. Theory and simulation of charge transport in disordered organic semiconductors

    NARCIS (Netherlands)

    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

  12. 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)

  13. 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.

  14. Surrogate model approach for improving the performance of reactive transport simulations

    Science.gov (United States)

    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

  15. VS2DRTI: Simulating Heat and Reactive Solute Transport in Variably Saturated Porous Media.

    Science.gov (United States)

    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.

  16. Soil Microbial Community Changes in Wooded Mountain Pastures due to Simulated Effects of Cattle Grazing

    NARCIS (Netherlands)

    Kohler, F.; Hamelin, J.; Gillet, F.; Gobat, J.M.; Buttler, A.

    2005-01-01

    The effect of cattle activity on pastures can be subdivided into three categories of disturbances: herbage removal, dunging and trampling. The objective of this study was to assess separately or in combination the effect of these factors on the potential activities of soil microbial communities and

  17. 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

  18. Encouraging alternative transportation behavior among baby boomers via simulations.

    Science.gov (United States)

    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...

  19. 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.

  20. The process-related dynamics of microbial community during a simulated fermentation of Chinese strong-flavored liquor.

    Science.gov (United States)

    Zhang, Yanyan; Zhu, Xiaoyu; Li, Xiangzhen; Tao, Yong; Jia, Jia; He, Xiaohong

    2017-09-15

    Famous Chinese strong-flavored liquor (CSFL) is brewed by microbial consortia in a special fermentation pit (FT). However, the fermentation process was not fully understood owing to the complicate community structure and metabolism. In this study, the process-related dynamics of microbial communities and main flavor compounds during the 70-day fermentation process were investigated in a simulated fermentation system. A three-phase model was proposed to characterize the process of the CSFL fermentation. (i) In the early fermentation period (1-23 days), glucose was produced from macromolecular carbohydrates (e.g., starch). The prokaryotic diversity decreased significantly. The Lactobacillaceae gradually predominated in the prokaryotic community. In contrast, the eukaryotic diversity rose remarkably in this stage. Thermoascus, Aspergillus, Rhizopus and unidentified Saccharomycetales were dominant eukaryotic members. (ii) In the middle fermentation period (23-48 days), glucose concentration decreased while lactate acid and ethanol increased significantly. Prokaryotic community was almost dominated by the Lactobacillus, while eukaryotic community was mainly comprised of Thermoascus, Emericella and Aspergillus. (iii) In the later fermentation period (48-70 days), the concentrations of ethyl esters, especially ethyl caproate, increased remarkably. The CSFL fermentation could undergo three stages: saccharification, glycolysis and esterification. Saccharomycetales, Monascus, and Rhizopus were positively correlated to glucose concentration (P fermentation, were observed firstly. This study observed comprehensive dynamics of microbial communities during the CSFL fermentation, and it further revealed the correlations between some crucial microorganisms and flavoring chemicals (FCs). The results from this study help to design effective strategies to manipulate microbial consortia for fermentation process optimization in the CSFL brew practice.

  1. 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.

  2. Interpreting ecological diversity indices applied to terminal restriction fragment length polymorphism data: insights from simulated microbial communities.

    Science.gov (United States)

    Blackwood, Christopher B; Hudleston, Deborah; Zak, Donald R; Buyer, Jeffrey S

    2007-08-01

    Ecological diversity indices are frequently applied to molecular profiling methods, such as terminal restriction fragment length polymorphism (T-RFLP), in order to compare diversity among microbial communities. We performed simulations to determine whether diversity indices calculated from T-RFLP profiles could reflect the true diversity of the underlying communities despite potential analytical artifacts. These include multiple taxa generating the same terminal restriction fragment (TRF) and rare TRFs being excluded by a relative abundance (fluorescence) threshold. True community diversity was simulated using the lognormal species abundance distribution. Simulated T-RFLP profiles were generated by assigning each species a TRF size based on an empirical or modeled TRF size distribution. With a typical threshold (1%), the only consistently useful relationship was between Smith and Wilson evenness applied to T-RFLP data (TRF-E(var)) and true Shannon diversity (H'), with correlations between 0.71 and 0.81. TRF-H' and true H' were well correlated in the simulations using the lowest number of species, but this correlation declined substantially in simulations using greater numbers of species, to the point where TRF-H' cannot be considered a useful statistic. The relationships between TRF diversity indices and true indices were sensitive to the relative abundance threshold, with greatly improved correlations observed using a 0.1% threshold, which was investigated for comparative purposes but is not possible to consistently achieve with current technology. In general, the use of diversity indices on T-RFLP data provides inaccurate estimates of true diversity in microbial communities (with the possible exception of TRF-E(var)). We suggest that, where significant differences in T-RFLP diversity indices were found in previous work, these should be reinterpreted as a reflection of differences in community composition rather than a true difference in community diversity.

  3. Vehicle Technology Simulation and Analysis Tools | Transportation Research

    Science.gov (United States)

    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

  4. Simulation of unsaturated flow and nonreactive solute transport in a heterogeneous soil at the field scale

    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

  5. Do European Standard Disinfectant tests truly simulate in-use microbial and organic soiling conditions on food preparation surfaces?

    Science.gov (United States)

    Meyer, B; Morin, V N; Rödger, H-J; Holah, J; Bird, C

    2010-04-01

    The results from European standard disinfectant tests are used as one basis to approve the use of disinfectants in Europe. The design of these laboratory-based tests should thus simulate as closely as possible the practical conditions and challenges that the disinfectants would encounter in use. No evidence is available that the organic and microbial loading in these tests simulates actual levels in the food service sector. Total organic carbon (TOC) and total viable count (TVC) were determined on 17 visibly clean and 45 visibly dirty surfaces in two restaurants and the food preparation surfaces of a large retail store. These values were compared to reference values recovered from surfaces soiled with the organic and microbial loading, following the standard conditions of the European Surface Test for bactericidal efficacy, EN 13697. The TOC reference values for clean and dirty conditions were higher than the data from practice, but cannot be regarded as statistical outliers. This was considered as a conservative assessment; however, as additional nine TOC samples from visibly dirty surfaces were discarded from the analysis, as their loading made them impossible to process. Similarly, the recovery of test organisms from surfaces contaminated according to EN 13697 was higher than the TVC from visibly dirty surfaces in practice; though they could not be regarded as statistical outliers of the whole data field. No correlation was found between TVC and TOC in the sampled data, which re-emphasizes the potential presence of micro-organisms on visibly clean surfaces and thus the need for the same degree of disinfection as visibly dirty surfaces. The organic soil and the microbial burden used in EN disinfectant standards represent a realistic worst-case scenario for disinfectants used in the food service and food-processing areas.

  6. Structure of a microbial community in soil after prolonged addition of low levels of simulated acid rain

    Science.gov (United States)

    Pennanen; Fritze; Vanhala; Kiikkila; Neuvonen; Baath

    1998-06-01

    Humus samples were collected 12 growing seasons after the start of a simulated acid rain experiment situated in the subarctic environment. The acid rain was simulated with H2SO4, a combination of H2SO4 and HNO3, and HNO3 at two levels of moderate acidic loads close to the natural anthropogenic pollution levels of southern Scandinavia. The higher levels of acid applications resulted in acidification, as defined by humus chemistry. The concentrations of base cations decreased, while the concentrations of exchangeable H+, Al, and Fe increased. Humus pH decreased from 3.83 to 3.65. Basal respiration decreased with decreasing humus pH, and total microbial biomass, measured by substrate-induced respiration and total amount of phospholipid fatty acids (PLFA), decreased slightly. An altered PLFA pattern indicated a change in the microbial community structure at the higher levels of acid applications. In general, branched fatty acids, typical of gram-positive bacteria, increased in the acid plots. PLFA analysis performed on the bacterial community growing on agar plates also showed that the relative amount of PLFA specific for gram-positive bacteria increased due to the acidification. The changed bacterial community was adapted to the more acidic environment in the acid-treated plots, even though bacterial growth rates, estimated by thymidine and leucine incorporation, decreased with pH. Fungal activity (measured as acetate incorporation into ergosterol) was not affected. This result indicates that bacteria were more affected than fungi by the acidification. The capacity of the bacterial community to utilize 95 different carbon sources was variable and only showed weak correlations to pH. Differences in the toxicities of H2SO4 and HNO3 for the microbial community were not found.

  7. Investigation on single carbon atom transporting through the single-walled carbon nanotube by MD simulation

    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)

  8. 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

  9. Impact of Transport Zone Number in Simulation Models on Cost-Benefit Analysis Results in Transport Investments

    Science.gov (United States)

    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

  10. Effect of co-transporter blockers on non-synaptic epileptiform activity—computational simulation

    Science.gov (United States)

    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.

  11. Simulating the dynamic effect of land use and transport policies on the health of populations.

    Science.gov (United States)

    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.

  12. 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...

  13. 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 ...

  14. Capturing microbial sources distributed in a mixed-use watershed within an integrated environmental modeling workflow

    Science.gov (United States)

    Many watershed models simulate overland and instream microbial fate and transport, but few provide loading rates on land surfaces and point sources to the waterbody network. This paper describes the underlying equations for microbial loading rates associated with 1) land-applied ...

  15. Sensitivity of Deep Soil Organic Carbon Age to Sorption, Transport and Microbial Interactions - Insights from a Calibrated Process Model

    Science.gov (United States)

    Ahrens, B.; Schrumpf, M.; Reichstein, M.

    2013-12-01

    Subsoil soil organic carbon (SOC) is characterized by conventional radiocarbon ages on the order of centuries to millennia. Most vertically explicit SOC turnover models represent this persistence of deep SOC by one pool that has millennial turnover times. This approach lumps different stabilizing mechanisms such as chemical recalcitrance, sorptive stabilization and energy limitation into a single rate constant. As an alternative, we present a continuous, vertically explicit SOC decomposition model that allows for stabilization via sorption and microbial interactions (COMISSION model). We compare the COMISSION model with the SOC profile of a Haplic Podzol under a Norway spruce forest. In the COMISSION model two pools receive aboveground litter input and vertically distributed root litter input. The readily leachable and soluble fraction of litter input enters a dissolved organic carbon pool (DOC), while the rest enters the residue pool which represents polymeric, non-soluble SOC. The residue pool is depolymerized with extracellular enzymes produced by a microbial pool to enter the DOC pool which represents SOC potentially available for assimilation by microbes. The adsorption/desorption of DOC from/to mineral surfaces controls the availability of carbon in the DOC pool for assimilatory uptake by microbes. The sorption of DOC is modeled with dynamic Langmuir equations. The desorbed part of the DOC pool not only constitutes the substrate for the microbial pool, but is also transported via advection. Interactions of microbes with the residue and DOC pool are modeled with Michaelis-Menten kinetics - this not only allows representing ';priming', but also the retardation of decomposition via energy limitation in the deep soil where substrate is scarce. Further, soil organic matter is recycled within the soil profile through microbial processing - dead microbes either enter the DOC or the residue pool, and thereby also contribute to longer residence times with soil depth

  16. Metal Transport, Heavy Metal Speciation and Microbial Fixation Through Fluvial Subenvironments, Lower Coeur D'Alene River Valley, Idaho

    Science.gov (United States)

    Hooper, R. L.; Mahoney, J. B.

    2001-12-01

    The lower Coeur d'Alene River Valley of northern Idaho is the site of extensive lead and zinc contamination resulting from both direct riverine tailings disposal and flood remobilization of contaminated sediments derived from the Coeur d'Alene mining district upstream. Variations in the hydrologic regime, redox conditions, porosity/permeability, organic content and microbial activity results in complicated metal transport pathways. Documentation of these pathways is a prerequisite to effective remediation, and requires accurate analysis of lateral and vertical variations. An analytical approach combining sequential extraction, electron microscopy, and microanalysis provides a comprehensive assessment of particulate speciation in this complex hydrologic system. Rigorously controlled sample preparation and a new sequential extraction protocol provide unprecedented insight into the role of metal sequestration in fluvial subenvironments. Four subenvironments were investigated: bedload, overbank (levee), marsh, and lacustrine. Periodic floods remobilize primary ore minerals and secondary minerals from upstream tailings (primarily oxyhydroxides, sulfides and carbonates). The bedload in the lower valley is a reducing environment and acts as a sink for detrital carbonates and sulfides moving downstream. In addition, authigenic/biogenic Fe, Pb and Zn sulfides and phosphates are common in bedload sediments near the sediment/water interface. Flood redistribution of oxide, sulfide and carbonate phases results in periodic contaminant recharge generating a complex system of metal dissolution, mobilization, migration and precipitation. In levee environments, authigenic sulfides from flood scouring are quickly oxidized resulting in development of oxide coated grain surfaces. Stability of detrital minerals on the levee is variable depending on sediment permeability, grain size and mineralogy resulting in a complex stratigraphy of oxide zones mottled with zones dominated by detrital

  17. 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...

  18. 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)

  19. COUPLED FREE AND DISSOLVED PHASE TRANSPORT: NEW SIMULATION CAPABILITIES AND PARAMETER INVERSION

    Science.gov (United States)

    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...

  20. Theoretical and Numerical Properties of a Gyrokinetic Plasma: Issues Related to Transport Time Scale Simulation

    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

  1. Long distance electron transport in marine sediments: Microbial and geochemical implications

    DEFF Research Database (Denmark)

    Risgaard-Petersen, Nils; Larsen, Steffen; Pfeffer, Christian

    and promotes the formation of Mg-calcite and iron oxides in the oxic zone. Oxygen seems to be the major electron acceptor, and more than 40% of the oxygen consumption in sediments can be driven by long distance electron transfer from distant electron donors. The major e-donor is sulfide, which is oxidized......Anaerobic oxidation of organic matter in marine sediment is traditionally considered to be coupled to oxygen reduction via a cascade of redox processes and transport of intermittent electron donors and acceptors. Electric currents have been found to shortcut this cascade and directly couple...... oxidation of sulphide centimeters down in marine sediment to the reduction of oxygen at the very surface1 . This electric coupling of spatially separated redox half-reactions seems to be mediated by centimeter long filamentous Desulfubulbus affiliated bacteria with morphological and ultra...

  2. Elucidation of the glucose transport pathway in glucose transporter 4 via steered molecular dynamics simulations.

    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.

  3. 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)

  4. Transport of Cryptosporidium parvum Oocysts in Charge Heterogeneous Porous Media: Microfluidics Experiment and Numerical Simulation

    Science.gov (United States)

    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.

  5. 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.)

  6. 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

  7. Background and Recent Progress in Anomalous Transport Simulation

    Science.gov (United States)

    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

  8. 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.

  9. 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

  10. 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%

  11. 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)

  12. Simulation of Water Transport through a Lipid Membrane

    NARCIS (Netherlands)

    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

  13. 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...

  14. 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

  15. Numerical simulation of ion transport membrane reactors: Oxygen permeation and transport and fuel conversion

    KAUST Repository

    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

  16. Electrokinetic Particle Transport in Micro-Nanofluidics Direct Numerical Simulation Analysis

    CERN Document Server

    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

  17. 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

  18. The effect of starch, inulin, and degradable protein on ruminal fermentation and microbial growth in rumen simulation technique

    Directory of Open Access Journals (Sweden)

    Xiang H. Zhao

    2014-03-01

    Full Text Available A rumen simulation technique apparatus with eight 800 mL fermentation vessels was used to investigate the effects of rumen degradable protein (RDP level and non-fibre carbohydrate (NFC type on ruminal fermentation, microbial growth, and populations of ruminal cellulolytic bacteria. Treatments consisted of two NFC types (starch and inulin supplemented with 0 g/d (low RDP or 1.56 g/d (high RDP sodium caseinate. No significant differences existed among dietary treatments in the apparent disappearance of dietary nutrients except for dietary N, which increased with increased dietary RDP (P<0.001. Compared with starch, inulin treatments reduced the molar proportion of acetate (P<0.001, the acetate:propionate ratio (P<0.001, and methane production (P=0.006, but increased the butyrate proportion (P<0.001. Increased dietary RDP led to increases in production of total volatile fatty acid (P=0.014 and methane (P=0.050, various measures of N (P≤0.046, and 16s rDNA copy numbers of Ruminococcus flavefaciens (P≤0.010. Non-fibre carbohydrate source did not affect daily microbial N flow regardless of dietary RDP, but ammonia N production was lower for inulin than for starch treatments under high RDP conditions (P<0.001. Compared with starch treatments, inulin depressed the copy numbers of Fibrobacter succinogenes in solid fraction (P=0.023 and R. flavefaciens in liquid (P=0.017 and solid fractions (P=0.007, but it increased the carboxymethylcellulase activity in solid fraction (P=0.045. Current results suggest that starch and inulin differ in ruminal volatile fatty acid fermentation but have similar effects on ruminal digestion and microbial synthesis in vitro, although inulin suppressed the growth of partial ruminal cellulolytic bacteria.

  19. 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)

  20. 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

  1. 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.)

  2. Learning Support Assessment Study of a Computer Simulation for the Development of Microbial Identification Strategies

    Directory of Open Access Journals (Sweden)

    Tristan E. Johnson

    2009-12-01

    Full Text Available This paper describes a study that examined how microbiology students construct knowledge of bacterial identification while using a computer simulation. The purpose of this study was to understand how the simulation affects the cognitive processing of students during thinking, problem solving, and learning about bacterial identification and to determine how the simulation facilitates the learning of a domain-specific problem-solving strategy. As part of an upper-division microbiology course, five students participated in several simulation assignments. The data were collected using think-aloud protocol and video action logs as the students used the simulation. The analysis revealed two major themes that determined the performance of the students: Simulation Usage—how the students used the software features and Problem-Solving Strategy Development—the strategy level students started with and the skill level they achieved when they completed their use of the simulation. Several conclusions emerged from the analysis of the data: (i The simulation affects various aspects of cognitive processing by creating an environment that makes it possible to practice the application of a problem-solving strategy. The simulation was used as an environment that allowed students to practice the cognitive skills required to solve an unknown. (ii Identibacter (the computer simulation may be considered to be a cognitive tool to facilitate the learning of a bacterial identification problem-solving strategy. (iii The simulation characteristics did support student learning of a problem-solving strategy. (iv Students demonstrated problem-solving strategy development specific to bacterial identification. (v Participants demonstrated an improved performance from their repeated use of the simulation.

  3. 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.

  4. Aerobic versus Anaerobic Microbial Degradation of Clothianidin under Simulated California Rice Field Conditions.

    Science.gov (United States)

    Mulligan, Rebecca A; Tomco, Patrick L; Howard, Megan W; Schempp, Tabitha T; Stewart, Davis J; Stacey, Phillip M; Ball, David B; Tjeerdema, Ronald S

    2016-09-28

    Microbial degradation of clothianidin was characterized under aerobic and anaerobic California rice field conditions. Rate constants (k) and half-lives (DT50) were determined for aerobic and anaerobic microcosms, and an enrichment experiment was performed at various nutrient conditions and pesticide concentrations. Temperature effects on anaerobic degradation rates were determined at 22 ± 2 and 35 ± 2 °C. Microbial growth was assessed in the presence of various pesticide concentrations, and distinct colonies were isolated and identified. Slow aerobic degradation was observed, but anaerobic degradation occurred rapidly at both 25 and 35 °C. Transformation rates and DT50 values in flooded soil at 35 ± 2 °C (k = -7.16 × 10(-2) ± 3.08 × 10(-3) day(-1), DT50 = 9.7 days) were significantly faster than in 25 ± 2 °C microcosms (k= -2.45 × 10(-2) ± 1.59 × 10(-3) day(-1), DT50 = 28.3 days). At the field scale, biodegradation of clothianidin will vary with extent of oxygenation.

  5. Effect of Phospholipid on Pyrite Oxidation and Microbial Communities under Simulated Acid Mine Drainage (AMD) Conditions.

    Science.gov (United States)

    Pierre Louis, Andro-Marc; Yu, Hui; Shumlas, Samantha L; Van Aken, Benoit; Schoonen, Martin A A; Strongin, Daniel R

    2015-07-07

    The effect of phospholipid on the biogeochemistry of pyrite oxidation, which leads to acid mine drainage (AMD) chemistry in the environment, was investigated. Metagenomic analyses were carried out to understand how the microbial community structure, which developed during the oxidation of pyrite-containing coal mining overburden/waste rock (OWR), was affected by the presence of adsorbed phospholipid. Using columns packed with OWR (with and without lipid adsorption), the release of sulfate (SO4(2-)) and soluble iron (FeTot) was investigated. Exposure of lipid-free OWR to flowing pH-neutral water resulted in an acidic effluent with a pH range of 2-4.5 over a 3-year period. The average concentration of FeTot and SO4(2-) in the effluent was ≥20 and ≥30 mg/L, respectively. In contrast, in packed-column experiments where OWR was first treated with phospholipid, the effluent pH remained at ∼6.5 and the average concentrations of FeTot and SO4(2-) were ≤2 and l.6 mg/L, respectively. 16S rDNA metagenomic pyrosequencing analysis of the microbial communities associated with OWR samples revealed the development of AMD-like communities dominated by acidophilic sulfide-oxidizing bacteria on untreated OWR samples, but not on refuse pretreated with phospholipid.

  6. 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.

  7. 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

  8. Large-scale tropospheric transport in the Chemistry-Climate Model Initiative (CCMI) simulations

    Science.gov (United States)

    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.

  9. 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.

  10. Simulation of charge generation and transport in semi-conductors under energetic-particle bombardment

    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

  11. 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.

  12. 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.

  13. 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)

  14. Considering a Threshold Energy in Reactive Transport Modeling of Microbially Mediated Redox Reactions in an Arsenic-Affected Aquifer

    Directory of Open Access Journals (Sweden)

    Marco Rotiroti

    2018-01-01

    Full Text Available The reductive dissolution of Fe-oxide driven by organic matter oxidation is the primary mechanism accepted for As mobilization in several alluvial aquifers. These processes are often mediated by microorganisms that require a minimum Gibbs energy available to conduct the reaction in order to sustain their life functions. Implementing this threshold energy in reactive transport modeling is rarely used in the existing literature. This work presents a 1D reactive transport modeling of As mobilization by the reductive dissolution of Fe-oxide and subsequent immobilization by co-precipitation in iron sulfides considering a threshold energy for the following terminal electron accepting processes: (a Fe-oxide reduction, (b sulfate reduction, and (c methanogenesis. The model is then extended by implementing a threshold energy on both reaction directions for the redox reaction pairs Fe(III reduction/Fe(II oxidation and methanogenesis/methane oxidation. The optimal threshold energy fitted in 4.50, 3.76, and 1.60 kJ/mol e− for sulfate reduction, Fe(III reduction/Fe(II oxidation, and methanogenesis/methane oxidation, respectively. The use of models implementing bidirectional threshold energy is needed when a redox reaction pair can be transported between domains with different redox potentials. This may often occur in 2D or 3D simulations.

  15. 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

  16. A computer code package for Monte Carlo photon-electron transport simulation Comparisons with experimental benchmarks

    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

  17. 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

  18. 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

  19. 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

  20. 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.

  1. 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

  2. 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)

  3. Microbial community structure in autotrophic nitrifying granules characterized by experimental and simulation analyses

    DEFF Research Database (Denmark)

    Matsumoto, S.; Katoku, M.; Saeki, G.

    2010-01-01

    of these groups also became evident from a 16S rRNA clone library. Microprofiles of NH4+, NO2-, NO3- and O-2 concentrations measured with microelectrodes showed good agreement with the spatial organization of nitrifying bacteria. One- and two-dimensional numerical biofilm models were constructed to explain......This study evaluates the community structure in nitrifying granules (average diameter of 1600 mu m) produced in an aerobic reactor fed with ammonia as the sole energy source by a multivalent approach combining molecular techniques, microelectrode measurements and mathematical modelling...... the observed granule development as a result of the multiple bacteria-substrate interactions. The interaction between nitrifying and heterotrophic bacteria was evaluated by assuming three types of heterotrophic bacterial growth on soluble microbial products from nitrifying bacteria. The models described well...

  4. 1D Simulations for Microbial Enhanced Oil Recovery with Metabolite Partitioning

    DEFF Research Database (Denmark)

    Nielsen, Sidsel Marie; Shapiro, Alexander; Michelsen, Michael Locht

    2010-01-01

    We have developed a mathematical model describing the process of microbial enhanced oil recovery (MEOR). The one-dimensional isothermal model comprises displacement of oil bywater containing bacteria and substrate for their feeding. The bacterial products are both bacteria andmetabolites....... The characteristics for the water phase saturation profiles and the oil recovery curves are elucidated. However, the effect from the surfactant is not necessarily restricted to influence only interfacial tension, but it can also be an approach for changing, e.g., wettability. The distribution coefficient determines...... the time lag, until residual oil mobilization is initialized. It has also been found that the final recovery depends on the distance from the inlet before the surfactant effect takes place. The surfactant effect position is sensitive to changes in maximum growth rate, and injection concentrations...

  5. 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.

  6. Numerically robust and efficient nonlocal electron transport in 2D DRACO simulations

    Science.gov (United States)

    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.

  7. Microbial aspects of gas generation from low level radioactive waste simulant

    International Nuclear Information System (INIS)

    Kidby, D.W.; Billington, R.S.

    1992-01-01

    This report details the experimental work undertaken to further the understanding of the kinetics of methanogenesis associated with radioactive LLW disposal. A series of treatments were established by inoculating a LLW simulant and investigating the kinetics of methanogenesis in small Wheaton bottles. Treatments were set up to study the effects of waste compaction, the addition of metal to the simulant, the initial aerobic phase, pH and temperature on gas production. A separate experiment was also established to determine whether cellulose in the simulant acted as a biogas precursor. Results are presented from the head space gas analysis and the solid and liquid phase analyses undertaken over a 600 day period. (Author)

  8. Simulations of neutron transport at low energy: a comparison between GEANT and MCNP.

    Science.gov (United States)

    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.

  9. 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.

  10. 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

  11. 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.

  12. Sources and Transportation of Bulk, Low-Cost Lunar Simulant Materials

    Science.gov (United States)

    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.

  13. 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

  14. Simulated nitrogen deposition causes a decline of intra- and extraradical abundance of arbuscular mycorrhizal fungi and changes in microbial community structure in northern hardwood forests

    Science.gov (United States)

    Linda T.A. van Diepen; Erik A. Lilleskov; Kurt S. Pregitzer; R. Michael Miller

    2010-01-01

    Increased nitrogen (N) deposition caused by human activities has altered ecosystem functioning and biodiversity. To understand the effects of altered N availability, we measured the abundance of arbuscular mycorrhizal fungi (AMF) and the microbial community in northern hardwood forests exposed to long-term (12 years) simulated N deposition (30 kg N ha-1...

  15. Simulation of Molecular Transport in Systems Containing Mobile Obstacles.

    Science.gov (United States)

    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.

  16. Integrating surrogate models into subsurface simulation framework allows computation of complex reactive transport scenarios

    Science.gov (United States)

    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

  17. 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.)

  18. 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

  19. 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)

  20. PhreeqcRM: A reaction module for transport simulators based on the geochemical model PHREEQC

    Science.gov (United States)

    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.

  1. Thermal transport across metal silicide-silicon interfaces: First-principles calculations and Green's function transport simulations

    Science.gov (United States)

    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

  2. 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...

  3. Bio-Inspired Multi-Functional Drug Transport Design Concept and Simulations.

    Science.gov (United States)

    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.

  4. 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

  5. Neutron transport simulation in high speed moving media using Geant4

    Science.gov (United States)

    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.

  6. 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

  7. 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)

  8. A microbial biogeochemistry network for soil carbon and nitrogen cycling and methane flux: model structure and application to Asia

    Science.gov (United States)

    Xu, X.; Song, C.; Wang, Y.; Ricciuto, D. M.; Lipson, D.; Shi, X.; Zona, D.; Song, X.; Yuan, F.; Oechel, W. C.; Thornton, P. E.

    2017-12-01

    A microbial model is introduced for simulating microbial mechanisms controlling soil carbon and nitrogen biogeochemical cycling and methane fluxes. The model is built within the CN (carbon-nitrogen) framework of Community Land Model 4.5, named as CLM-Microbe to emphasize its explicit representation of microbial mechanisms to biogeochemistry. Based on the CLM4.5, three new pools were added: bacteria, fungi, and dissolved organic matter. It has 11 pools and 34 transitional processes, compared with 8 pools and 9 transitional flow in the CLM4.5. The dissolve organic carbon was linked with a new microbial functional group based methane module to explicitly simulate methane production, oxidation, transport and their microbial controls. Comparing with CLM4.5-CN, the CLM-Microbe model has a number of new features, (1) microbial control on carbon and nitrogen flows between soil carbon/nitrogen pools; (2) an implicit representation of microbial community structure as bacteria and fungi; (3) a microbial functional-group based methane module. The model sensitivity analysis suggests the importance of microbial carbon allocation parameters on soil biogeochemistry and microbial controls on methane dynamics. Preliminary simulations validate the model's capability for simulating carbon and nitrogen dynamics and methane at a number of sites across the globe. The regional application to Asia has verified the model in simulating microbial mechanisms in controlling methane dynamics at multiple scales.

  9. 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...

  10. 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

  11. Bringing global gyrokinetic turbulence simulations to the transport timescale using a multiscale approach

    Science.gov (United States)

    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).

  12. 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.

  13. Numerical modelling of biophysicochemical effects on multispecies reactive transport in porous media involving Pseudomonas putida for potential microbial enhanced oil recovery application.

    Science.gov (United States)

    Sivasankar, P; Rajesh Kanna, A; Suresh Kumar, G; Gummadi, Sathyanarayana N

    2016-07-01

    pH and resident time of injected slug plays a critical role in characterizing the reservoir for potential microbial enhanced oil recovery (MEOR) application. To investigate MEOR processes, a multispecies (microbes-nutrients) reactive transport model in porous media was developed by coupling kinetic and transport model. The present work differs from earlier works by explicitly determining parametric values required for kinetic model by experimental investigations using Pseudomonas putida at different pH conditions and subsequently performing sensitivity analysis of pH, resident time and water saturation on concentrations of microbes, nutrients and biosurfactant within reservoir. The results suggest that nutrient utilization and biosurfactant production are found to be maximum at pH 8 and 7.5 respectively. It is also found that the sucrose and biosurfactant concentrations are highly sensitive to pH rather than reservoir microbial concentration, while at larger resident time and water saturation, the microbial and nutrient concentrations were lesser due to enhanced dispersion. Copyright © 2016 Elsevier Ltd. All rights reserved.

  14. Hybrid Multiscale Finite Volume method for multiresolution simulations of flow and reactive transport in porous media

    Science.gov (United States)

    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.

  15. 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.

  16. 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)

  17. 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

  18. Quantitative microbial risk assessment for spray irrigation of dairy manure based on an empirical fate and transport model

    Science.gov (United States)

    Burch, Tucker R; Spencer, Susan K.; Stokdyk, Joel; Kieke, Burney A; Larson, Rebecca A; Firnstahl, Aaron; Rule, Ana M; Borchardt, Mark A.

    2017-01-01

    BACKGROUND: Spray irrigation for land-applying livestock manure is increasing in the United States as farms become larger and economies of scale make manure irrigation affordable. Human health risks from exposure to zoonotic pathogens aerosolized during manure irrigation are not well understood. OBJECTIVES: We aimed to a) estimate human health risks due to aerosolized zoonotic pathogens downwind of spray-irrigated dairy manure; and b) determine which factors (e.g., distance, weather conditions) have the greatest influence on risk estimates. METHODS: We sampled downwind air concentrations of manure-borne fecal indicators and zoonotic pathogens during 21 full-scale dairy manure irri- gation events at three farms. We fit these data to hierarchical empirical models and used model outputs in a quantitative microbial risk assessment (QMRA) to estimate risk [probability of acute gastrointestinal illness (AGI)] for individuals exposed to spray-irrigated dairy manure containing Campylobacter jejuni, enterohemorrhagic Escherichia coli (EHEC), or Salmonella spp. RESULTS: Median risk estimates from Monte Carlo simulations ranged from 10−5 to 10−2 and decreased with distance from the source. Risk estimates for Salmonella or EHEC-related AGI were most sensitive to the assumed level of pathogen prevalence in dairy manure, while risk estimates for C. jejuni were not sensitive to any single variable. Airborne microbe concentrations were negatively associated with distance and positively associated with wind speed, both of which were retained in models as a significant predictor more often than relative humidity, solar irradiation, or temperature. CONCLUSIONS: Our model-based estimates suggest that reducing pathogen prevalence and concentration in source manure would reduce the risk of AGI from exposure to manure irrigation, and that increasing the distance from irrigated manure (i.e., setbacks) and limiting irrigation to times of low wind speed may also reduce risk.

  19. A Distributed Simulation Facility to Support Human Factors Research in Advanced Air Transportation Technology

    Science.gov (United States)

    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.

  20. Blood oxygen transport in common map turtles during simulated hibernation.

    Science.gov (United States)

    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.

  1. 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.

  2. Molecular Simulation and Biochemical Studies Support an Elevator-type Transport Mechanism in EIIC.

    Science.gov (United States)

    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.

  3. 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.

  4. Study on Photon Transport Problem Based on the Platform of Molecular Optical Simulation Environment

    Science.gov (United States)

    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

  5. 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.

  6. Study on photon transport problem based on the platform of molecular optical simulation environment.

    Science.gov (United States)

    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.

  7. GPU accelerated simulations of 3D deterministic particle transport using discrete ordinates method

    Science.gov (United States)

    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.

  8. 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.

  9. Microbial induced corrosion (MIC) on DHP copper by Desulfovibrio desulfuricans and Bacillus megaterium strains in media simulating heater waters

    International Nuclear Information System (INIS)

    Zumelzu, E.; Cabezas, C.; Schoebitz, R.; Ugarte, R.; Rodriguez, E.D.; Rios, J.

    2003-01-01

    The complexity and diversity of microbial populations in water heating systems of steam generators make it necessary to study the magnitude of the metabolic activity of bacteria and biofilm development that may lead to degradation of metal components through microbial induced corrosion (MIC). Electrolytes simulating the conditions found in heater water networks were used to induce biofilm formation on DHP copper coupons by Desulfovibrio desulfuricans DSMZ and Bacillus megaterium C10, a commercial strain and an isolate from these waters, respectively. In order to enhance their action, industrial waters enriched with the minimum nutrient content such as sodium lactate and sodium sulphite for the DSMZ strain and glucose, proteose peptone and starch for the C10 strain were employed. Biofilm formation was studied under controlled temperature, time, shaking, pH and concentrations of the media used in this study. Then, the samples were electrochemically tested in an artificial solution of sea water as control medium, based on the hypothesis that the action of an aggressive biofilm/electrolyte medium generates damaged and non-damaged areas on the metal surface, and assuming that the sea water trial can detect the latter. Hence, a higher anodic current was associated with a lower degradation of the metal surface by the action of one of the media under study. All these trials were performed along with bacterial count, scanning electron microscopy (SEM) and atomic absorption spectroscopy (AAS). Furthermore, it was possible to identify under which conditions MIC on DHP copper occurred and complex mechanisms from retention of cations to diffusion processes at the biofilm/tested media interface level were proposed. Surface corrosion by MIC took place on DHP copper; therefore, greater control on the treatment of industrial waters is highly desirable. (author)

  10. Response of microbial community and catabolic genes to simulated petroleum hydrocarbon spills in soils/sediments from different geographic locations.

    Science.gov (United States)

    Liu, Q; Tang, J; Liu, X; Song, B; Zhen, M; Ashbolt, N J

    2017-10-01

    Study the response of microbial communities and selected petroleum hydrocarbon (PH)-degrading genes on simulated PH spills in soils/sediments from different geographic locations. A microcosm experiment was conducted by spiking mixtures of petroleum hydrocarbons (PHs) to soils/sediments collected from four different regions of China, including the Dagang Oilfield (DG), Sand of Bohai Sea (SS), Northeast China (NE) and Xiamen (XM). Changes in bacterial community and the abundance of PH-degrading genes (alkB, nah and phe) were analysed by denaturing gradient electrophoresis (DGGE) and qPCR, respectively. Degradation of alkanes and PAHs in SS and NE materials were greater (P < 0·05) than those in DG and XM. Clay content was negatively correlated with the degradation of total alkanes by 112 days and PAHs by 56 days, while total organic carbon content was negatively correlated with initial degradation of total alkanes as well as PAHs. Abundances of alkB, nah and phe genes increased 10- to 100-fold and varied by soil type over the incubation period. DGGE fingerprints identified the dominance of α-, β- and γ-Proteobacteria (Gram -ve) and Actinobacteria (Gram +ve) bacteria associated with degradation of PHs in the materials studied. The geographic divergence resulting from the heterogeneity of physicochemical properties of soils/sediments appeared to influence the abundance of metabolic genes and community structure of microbes capable of degrading PHs. When developing practical in-situ bioremediation approaches for PHs contamination of soils/sediment, appropriate microbial community structures and the abundance of PH-degrading genes appear to be influenced by geographic location. © 2017 The Society for Applied Microbiology.

  11. 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

  12. Control of Microbial Sulfide Production with Biocides and Nitrate in Oil Reservoir Simulating Bioreactors.

    Directory of Open Access Journals (Sweden)

    Yuan eXue

    2015-12-01

    Full Text Available Oil reservoir souring by the microbial reduction of sulfate to sulfide is unwanted, because it enhances corrosion of metal infrastructure used for oil production and processing. Reservoir souring can be prevented or remediated by the injection of nitrate or biocides, although injection of biocides into reservoirs is not commonly done. Whether combined application of these agents may give synergistic reservoir souring control is unknown. In order to address this we have used up-flow sand-packed bioreactors injected with 2 mM sulfate and volatile fatty acids (VFA, 3 mM each of acetate, propionate and butyrate at a flow rate of 3 or 6 pore volumes per day. Pulsed injection of the biocides glutaraldehyde (Glut, benzalkonium chloride (BAC and cocodiamine was used to control souring. Souring control was determined as the recovery time (RT needed to re-establish an aqueous sulfide concentration of 0.8-1 mM (of the 1.7-2 mM before the pulse. Pulses were either for a long time (120 h at low concentration (long-low or for a short time (1 h at high concentration (short-high. The short-high strategy gave better souring control with Glut, whereas the long-low strategy was better with cocodiamine. Continuous injection of 2 mM nitrate alone was not effective, because 3 mM VFA can fully reduce both 2 mM nitrate to nitrite and N2 and, subsequently, 2 mM sulfate to sulfide. No synergy was observed for short-high pulsed biocides and continuously injected nitrate. However, use of continuous nitrate and long-low pulsed biocide gave synergistic souring control with BAC and Glut, as indicated by increased RTs in the presence, as compared to the absence of nitrate. Increased production of nitrite, which increases the effectiveness of souring control by biocides, is the most likely cause for this synergy.

  13. 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)

  14. Spatial dose and microdose distribution in tissues. Ionization, nuclear reactions, multiple scattering simulation of beam transport

    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

  15. 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

  16. Bringing global gyrokinetic turbulence simulations to the transport timescale using a multiscale approach

    Science.gov (United States)

    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.

  17. Simulator Investigations of the Problems of Flying a Swept-Wing Transport Aircraft in Heavy Turbulence

    Science.gov (United States)

    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.

  18. Simulation of Feedforward-Feedback Control of Dissolved Oxygen of Microbial Repeated Fed-batch Culture

    Directory of Open Access Journals (Sweden)

    Ling Gao

    2016-09-01

    Full Text Available Fed-batch culture is often used in industry, and dissolved oxygen (DO concentration control is important in fermentation process control. DO control is often applied by using feedback (FB control strategy. But, feedforward-feedback (FF-FB control has the advantage in dealing with the time-varying characteristics resulted from the cell growth during the fermentation process. Mathematical modeling and computer simulation is a useful tool in analysis of the control system.  In this research, the FF-FB DO control and FB substrate control of repeated fed-batch culture process is modeled and simulated. The results showed the feasibility of the control strategy. These results are useful for control system development and process analyses and optimization.

  19. Molecular dynamics simulations of Na+/Cl--dependent neurotransmitter transporters in a membrane-aqueous system

    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....

  20. 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

  1. 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.

  2. 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

  3. Modeling the transport of chemical warfare agents and simulants in polymeric substrates for reactive decontamination

    Science.gov (United States)

    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.

  4. Microbial air quality in mass transport buses and work-related illness among bus drivers of Bangkok Mass Transit Authority.

    Science.gov (United States)

    Luksamijarulkul, Pipat; Sundhiyodhin, Viboonsri; Luksamijarulkul, Soavalug; Kaewboonchoo, Orawan

    2004-06-01

    The air quality in mass transport buses, especially air-conditioned buses may affect bus drivers who work full time. Bus numbers 16, 63, 67 and 166 of the Seventh Bus Zone of Bangkok Mass Transit Authority were randomly selected to investigate for microbial air quality. Nine air-conditioned buses and 2-4 open-air buses for each number of the bus (36 air-conditioned buses and 12 open-air buses) were included. Five points of in-bus air samples in each studied bus were collected by using the Millipore A ir Tester Totally, 180 and 60 air samples collected from air-conditioned buses and open-air buses were cultured for bacterial and fungal counts. The bus drivers who drove the studied buses were interviewed towards histories of work-related illness while working. The results revealed that the mean +/- SD of bacterial counts in the studied open-air buses ranged from 358.50 +/- 146.66 CFU/m3 to 506 +/- 137.62 CFU/m3; bus number 16 had the highest level. As well as the mean +/- SD of fungal counts which ranged from 93.33 +/- 44.83 CFU/m3 to 302 +/- 294.65 CFU/m3; bus number 166 had the highest level. Whereas, the mean +/- SD of bacterial counts in the studied air-conditioned buses ranged from 115.24 +/- 136.01 CFU/m3 to 244.69 +/- 234.85 CFU/m3; bus numbers 16 and 67 had the highest level. As well as the mean +/- SD of fungal counts which rangedfrom 18.84 +/- 39.42 CFU/m3 to 96.13 +/- 234.76 CFU/m3; bus number 166 had the highest level. When 180 and 60 studied air samples were analyzed in detail, it was found that 33.33% of the air samples from open-air buses and 6.11% of air samples from air-conditioned buses had a high level of bacterial counts (> 500 CFU/m3) while 6.67% of air samples from open-air buses and 2.78% of air samples from air-conditioned buses had a high level of fungal counts (> 500 CFU/m3). Data from the history of work-related illnesses among the studied bus drivers showed that 91.67% of open-air bus drivers and 57.28% of air-conditioned bus drivers had

  5. 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

  6. The dissipation and microbial ecotoxicity of tebuconazole and its transformation products in soil under standard laboratory and simulated winter conditions.

    Science.gov (United States)

    El Azhari, Najoi; Dermou, Eftychia; Barnard, Romain L; Storck, Veronika; Tourna, Maria; Beguet, Jérémie; Karas, Panagiotis A; Lucini, Luigi; Rouard, Nadine; Botteri, Lucio; Ferrari, Federico; Trevisan, Marco; Karpouzas, Dimitrios G; Martin-Laurent, Fabrice

    2018-05-12

    Tebuconazole (TBZ) is a widely used triazole fungicide at EU level on cereals and vines. It is relatively persistent in soil where it is transformed to various transformation products (TPs) which might be environmentally relevant. We assessed the dissipation of TBZ in soil under contrasting incubation conditions (standard vs winter simulated) that are relevant to its application scheme, determined its transformation pathway using advanced analytical tools and 14 C-labeled TBZ and assessed its soil microbial toxicity. Mineralization of 14 C-triazole-ring-labeled TBZ was negligible but up to 11% of 14 C-penyl-ring-labeled TBZ evolved as 14 CO 2 within 150 days of incubation. TBZ persistence increased at higher dose rates (×10 compared to the recommended agronomical dose ×1) and under winter simulated conditions compared to standard incubation conditions (at ×1 dose rate DT 50 of 202 and 88 days, respectively). Non-target suspect screening enabled the detection of 22 TPs of TBZ, among which 17 were unknown. Mass spectrometry analysis led to the identification of 1-(4-chlorophenyl) ethanone, a novel TP of TBZ, the formation of which and decay in soil was determined by gas chromatography mass spectrometry. Three hypothetical transformation pathways of TBZ, all converging to 1H-1,2,4-triazole are proposed based on suspect screening. The ecotoxicological effect of TBZ and of its TPs was assessed by measuring by qPCR the abundance of the total bacteria and the relative abundance of 11 prokaryotic taxa and 4 functional groups. A transient impact of TBZ on the relative abundance of all prokaryotic taxa (except α-proteobacteria and Bacteroidetes) and one functional microbial group (pcaH-carrying microorganisms) was observed. However the direction of the effect (positive or negative) varied, and in certain cases, depended on the incubation conditions. Proteobacteria was the most responsive phylum to TBZ with recovery observed 20 days after treatment. The

  7. 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

  8. Influence of root-water-uptake parameterization on simulated heat transport in a structured forest soil

    Science.gov (United States)

    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.

  9. 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.

  10. Numerical Simulation of Ion Transport in a Nano-Electrospray Ion Source at Atmospheric Pressure

    Science.gov (United States)

    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.

  11. 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.

  12. 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

  13. Dynamics Modeling and Simulation of Large Transport Airplanes in Upset Conditions

    Science.gov (United States)

    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.

  14. 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

  15. 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)

  16. Rumen Microbial Protein Production in Rumen-Simulating-Technique (RUSITEC) Using 15N-Urea Nitrogen, as Influenced By Hay and Barley Ratios in Feed

    International Nuclear Information System (INIS)

    Al-Masri, M. R.; Abel, HJ.; Steinberg, W.

    2004-01-01

    Metabolism of dietary nitrogen using labeled 15 N and the changes in the microbial protein mass and NH3-N were studied in five rumen-simulating-technique(RUSITEC)-fermenters, which were run simultaneously in three identically repeated experiments. Each experiment consisted of a 6-day adaptation period followed directly by a 3-day collection period. The feed of the fermenters (G1, G2, G3, G4 and G5) varied in the ratio of barley. The barley increased by 20% between the fermenters. Grass hay+barley (g/d) in the feed of the fermenters was 10+2 (G1), 8+4 (G2), 6+6 (G3), 4+8 (G4) and 2+10 (G5). The results indicated that there were no significant (P>0.05) changes in the amounts of microbial nitrogen (92-118 mg/d) and microbial mass syntheses which were (mg/d): 1154 (G1), 1063 (G2), 1152 (G3), 1127 (G4) and 1362 (G5). Increasing the proportion of barley in the fermenters (G4 and G5) decreased NH3-N amounts (G2 and G3) significantly (P<0.05). The energy was not efficiently used in G5 having a lower ratio of the microbial nitrogen and microbial mass to the total short chain fatty acids than that other fermenters. (authors)

  17. 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...

  18. 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

  19. 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.

  20. 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)

  1. 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.

  2. Simulation of reactive geochemical transport in groundwater using a semi-analytical screening model

    Science.gov (United States)

    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.

  3. Finite Element Simulation of Total Nitrogen Transport in Riparian Buffer in an Agricultural Watershed

    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.

  4. 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

  5. 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

  6. 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

  7. Microbial Safety of Low Water Activity Foods: Study of Simulated and Durban Household Samples

    Directory of Open Access Journals (Sweden)

    O. A. Ijabadeniyi

    2017-01-01

    Full Text Available Sixty household low water activity foods were examined and a simulative study was conducted in a high sugar, low aw almond and macadamia butter to determine the survival of Bacillus cereus and Staphylococcus aureus ATCC 25923. Results obtained from 60 low aw samples collected at household level had some significant differences (P≤0,05 within food categories amongst the various tests. Spices had the highest number of aerobic bacteria, aerobic spore-formers, anaerobic spore-formers, and S. aureus. Mean aerobic colony counts for nuts and spices were 2.30 log CFU/g and 4.40 log CFU/g, respectively. Pathogens such as Escherichia coli and Cronobacter sakazakii were present in nuts, whilst Salmonella spp. was present in chocolates. This implies that certain low aw foods may present a public health risk. In the simulative study, temperature and high sucrose concentrations played a significant role in the survival of B. cereus and S. aureus ATCC 25923. B. cereus was found to be more osmotolerant at both reduced and elevated temperatures (18°C and 25°C in the 12% sucrose sample in both butters, whilst S. aureus ATCC 25923 seemed to grow better in sucrose-free samples at both temperatures in both butters. This implies that certain low aw foods may present a public health risk. Also, B. cereus, being a spore-forming bacterium, can be osmotolerant at both reduced and elevated temperatures.

  8. Impact of different vertical transport representations on simulating processes in the tropical tropopause layer (TTL)

    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

  9. 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

  10. Simulation of windblown dust transport from a mine tailings impoundment using a computational fluid dynamics model

    Science.gov (United States)

    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

  11. Simulation of windblown dust transport from a mine tailings impoundment using a computational fluid dynamics model.

    Science.gov (United States)

    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.

  12. 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

  13. Molecular dynamics simulation of continuous nanoflow transport through the uneven wettability channel

    Science.gov (United States)

    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.

  14. Evaluation of the transport and resuspension of a simulated nuclear waste slurry: Nuclear Waste Treatment Program

    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

  15. A simulation tool for integrating climate change and Canadian surface transport : towards assessing impacts and adaptations

    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.

  16. Enhanced phosphorus reduction in simulated eutrophic water: a comparative study of submerged macrophytes, sediment microbial fuel cells, and their combination.

    Science.gov (United States)

    Xu, Peng; Xiao, Enrong; Xu, Dan; Li, Juan; Zhang, Yi; Dai, Zhigang; Zhou, Qiaohong; Wu, Zhenbin

    2018-05-01

    The phosphorus reduction in water column was attempted by integrating sediment microbial fuel cells (SMFCs) with the submerged macrophyte Vallisneria spiralis. A comparative study was conducted to treat simulated water rich in phosphate with a control and three treatments: SMFC alone (SMFC), submerged macrophytes alone (macophyte), and combined macrophytes and fuel cells (M-SMFC). All treatments promoted phosphorus flux from the water column to sediments. Maximum phosphorus reduction was obtained in proportion to the highest stable phosphorus level in sediments in M-SMFC. For the initial phosphate concentrations of 0.2, 1, 2, and 4 mg/L, average phosphate values in the overlying water during four phases decreased by 33.3% (25.0%, 8.3%), 30.8% (5.1%, 17.9%), 36.5% (27.8%, 15.7%), and 36.2% (0.7%, 22.1%) for M-SMFC (macrophyte, SMFC), compared with the control. With macrophyte treatment, the obvious phosphorus release from sediments was observed during the declining period. However, such phenomenon was significantly inhibited with M-SMFC. The electrogenesis bacteria achieved stronger phosphorus adsorption and assimilation was significantly enriched on the closed-circuit anodes. The higher abundance of Geobacter and Pseudomonas in M-SMFC might in part explain the highest phosphorus reduction in the water column. M-SMFC treatment could be promising to control the phosphorus in eutrophic water bodies.

  17. Self-consistent Kinetic Simulation of RMP-driven Transport: Collisionality and Rotation Effects on RMP Penetration and Transport

    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)

  18. PHAST--a program for simulating ground-water flow, solute transport, and multicomponent geochemical reactions

    Science.gov (United States)

    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

  19. Convective transport in ATM simulations and its relation to the atmospheric stability conditions

    Science.gov (United States)

    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.

  20. Environmental fate and transport of chemical signatures from buried landmines -- Screening model formulation and initial 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.

  1. 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)

  2. 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.

  3. Particle-in-cell simulations of electron transport from plasma turbulence: recent progress in gyrokinetic particle simulations of turbulent plasmas

    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

  4. 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)

  5. 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.

  6. 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

  7. Guide to the Revised Ground-Water Flow and Heat Transport Simulator: HYDROTHERM - Version 3

    Science.gov (United States)

    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

  8. 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

  9. Thermodynamic and transport properties of nitrogen fluid: Molecular theory and computer simulations

    Science.gov (United States)

    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.

  10. 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

  11. 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)

  12. Steady-State Gyrokinetics Transport Code (SSGKT), A Scientific Application Partnership with the Framework Application for Core-Edge Transport Simulations, Final Report

    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

  13. Mathematical simulation of sediment and contaminant transport in surface waters. Annual report, October 1977--September 1978

    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

  14. 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)

  15. 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.

  16. 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)

  17. 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

  18. 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...

  19. 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.

  20. 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

  1. Fully-kinetic Ion Simulation of Global Electrostatic Turbulent Transport in C-2U

    Science.gov (United States)

    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.

  2. An expert system for automatic mesh generation for Sn particle transport simulation in parallel environment

    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)

  3. An expert system for automatic mesh generation for Sn particle transport simulation in parallel environment

    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)

  4. 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

  5. Computational fluid dynamics simulation of transport and retention of nanoparticle in saturated sand filters

    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

  6. Computational fluid dynamics simulation of transport and retention of nanoparticle in saturated sand filters

    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.

  7. 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.

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

    OpenAIRE

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

    2009-01-01

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

  9. Simulating selenium and nitrogen fate and transport in coupled stream-aquifer systems of irrigated regions

    Science.gov (United States)

    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.

  10. 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.

  11. Monte Carlo 2000 Conference : Advanced Monte Carlo for Radiation Physics, Particle Transport Simulation and Applications

    CERN Document Server

    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.

  12. Simulating selenium and nitrogen fate and transport in coupled stream-aquifer systems of irrigated regions

    Science.gov (United States)

    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.

  13. 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.

  14. 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)

  15. 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.

  16. Multi-dimensional relativistic simulations of core-collapse supernovae with energy-dependent neutrino transport

    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.)

  17. 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.

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

    Science.gov (United States)

    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.

  19. Multi-dimensional relativistic simulations of core-collapse supernovae with energy-dependent neutrino transport

    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.)

  20. METHES: A Monte Carlo collision code for the simulation of electron transport in low temperature plasmas

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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

  2. Simulation Study of Flap Effects on a Commercial Transport Airplane in Upset Conditions

    Science.gov (United States)

    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.

  3. 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.

  4. 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

  5. Plasma confinement theory and transport simulation: Technical progress report, October 1, 1987-October 14, 1988

    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

  6. Simulation of MHD instability effects on burning plasma transport with ITB in tokamak and helical reactors

    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)

  7. 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

  8. Using travel times to simulate multi-dimensional bioreactive transport in time-periodic flows.

    Science.gov (United States)

    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

  9. Lattice Boltzmann simulation of CO2 reactive transport in network fractured media

    Science.gov (United States)

    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.

  10. Simulating pesticide transport from a sloped tropical soil to an adjacent stream.

    Science.gov (United States)

    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.

  11. Srna-Monte Carlo codes for proton transport simulation in combined and voxelized geometries

    CERN Document Server

    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...

  12. A heuristic simulation model of Lake Ontario circulation and mass balance transport

    Science.gov (United States)

    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.

  13. Hybrid simulations of plasma transport by Kelvin-Helmholtz instability at the magnetopause: magnetic shear

    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.

  14. 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.)

  15. Research on numerical simulation and protection of transient process in long-distance slurry transportation pipelines

    Science.gov (United States)

    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.

  16. Research on numerical simulation and protection of transient process in long-distance slurry transportation pipelines

    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

  17. Coupling of WRF and Building-resolved CFD Simulations for Greenhouse Gas Transport and Dispersion

    Science.gov (United States)

    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

  18. Development of three-dimensional neoclassical transport simulation code with high performance Fortran on a vector-parallel computer

    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)

  19. Building-Resolved CFD Simulations for Greenhouse Gas Transport and Dispersion over Washington DC / Baltimore

    Science.gov (United States)

    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.

  20. Simulations of groundwater flow, transport, and age in Albuquerque, New Mexico, for a study of transport of anthropogenic and natural contaminants (TANC) to public-supply wells

    Science.gov (United States)

    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

  1. 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