National Library of Energy BETA

Sample records for modeling coupled processes

  1. Modeling Coupled Processes in Clay Formations for Radioactive...

    Office of Scientific and Technical Information (OSTI)

    ... To understand and model the coupled processes and their impact on repository performance ... of Nuclear Energy, LBNL's research activities have focused on understanding and ...

  2. MOUNTAIN-SCALE COUPLED PROCESSES (TH/THC/THM)MODELS

    SciTech Connect (OSTI)

    Y.S. Wu

    2005-08-24

    This report documents the development and validation of the mountain-scale thermal-hydrologic (TH), thermal-hydrologic-chemical (THC), and thermal-hydrologic-mechanical (THM) models. These models provide technical support for screening of features, events, and processes (FEPs) related to the effects of coupled TH/THC/THM processes on mountain-scale unsaturated zone (UZ) and saturated zone (SZ) flow at Yucca Mountain, Nevada (BSC 2005 [DIRS 174842], Section 2.1.1.1). The purpose and validation criteria for these models are specified in ''Technical Work Plan for: Near-Field Environment and Transport: Coupled Processes (Mountain-Scale TH/THC/THM, Drift-Scale THC Seepage, and Drift-Scale Abstraction) Model Report Integration'' (BSC 2005 [DIRS 174842]). Model results are used to support exclusion of certain FEPs from the total system performance assessment for the license application (TSPA-LA) model on the basis of low consequence, consistent with the requirements of 10 CFR 63.342 [DIRS 173273]. Outputs from this report are not direct feeds to the TSPA-LA. All the FEPs related to the effects of coupled TH/THC/THM processes on mountain-scale UZ and SZ flow are discussed in Sections 6 and 7 of this report. The mountain-scale coupled TH/THC/THM processes models numerically simulate the impact of nuclear waste heat release on the natural hydrogeological system, including a representation of heat-driven processes occurring in the far field. The mountain-scale TH simulations provide predictions for thermally affected liquid saturation, gas- and liquid-phase fluxes, and water and rock temperature (together called the flow fields). The main focus of the TH model is to predict the changes in water flux driven by evaporation/condensation processes, and drainage between drifts. The TH model captures mountain-scale three-dimensional flow effects, including lateral diversion and mountain-scale flow patterns. The mountain-scale THC model evaluates TH effects on water and gas

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

    SciTech Connect (OSTI)

    P. Dixon

    2004-04-05

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

  4. Modeling Coupled Processes in Clay Formations for Radioactive Waste Disposal

    SciTech Connect (OSTI)

    Liu, Hui-Hai; Rutqvist, Jonny; Zheng, Liange; Sonnenthal, Eric; Houseworth, Jim; Birkholzer, Jens

    2010-08-31

    example, the excavation-damaged zone (EDZ) near repository tunnels can modify local permeability (resulting from induced fractures), potentially leading to less confinement capability (Tsang et al., 2005). Because of clay's swelling and shrinkage behavior (depending on whether the clay is in imbibition or drainage processes), fracture properties in the EDZ are quite dynamic and evolve over time as hydromechanical conditions change. To understand and model the coupled processes and their impact on repository performance is critical for the defensible performance assessment of a clay repository. Within the Natural Barrier System (NBS) group of the Used Fuel Disposition (UFD) Campaign at DOE's Office of Nuclear Energy, LBNL's research activities have focused on understanding and modeling such coupled processes. LBNL provided a report in this April on literature survey of studies on coupled processes in clay repositories and identification of technical issues and knowledge gaps (Tsang et al., 2010). This report will document other LBNL research activities within the natural system work package, including the development of constitutive relationships for elastic deformation of clay rock (Section 2), a THM modeling study (Section 3) and a THC modeling study (Section 4). The purpose of the THM and THC modeling studies is to demonstrate the current modeling capabilities in dealing with coupled processes in a potential clay repository. In Section 5, we discuss potential future R&D work based on the identified knowledge gaps. The linkage between these activities and related FEPs is presented in Section 6.

  5. Modeling Coupled THM Processes and Brine Migration in Salt at High Temperatures

    SciTech Connect (OSTI)

    Rutqvist, Jonny; Blanco-Martin, Laura; Molins, Sergi; Trebotich, David; Birkholzer, Jens

    2015-09-01

    In this report, we present FY2015 progress by Lawrence Berkeley National Laboratory (LBNL) related to modeling of coupled thermal-hydrological-mechanical-chemical (THMC) processes in salt and their effect on brine migration at high temperatures. This is a combined milestone report related to milestone Salt R&D Milestone “Modeling Coupled THM Processes and Brine Migration in Salt at High Temperatures” (M3FT-15LB0818012) and the Salt Field Testing Milestone (M3FT-15LB0819022) to support the overall objectives of the salt field test planning.

  6. Hybrid models for the simulation of microstructural evolution influenced by coupled, multiple physical processes.

    SciTech Connect (OSTI)

    Tikare, Veena; Hernandez-Rivera, Efrain; Madison, Jonathan D.; Holm, Elizabeth Ann; Patterson, Burton R.; Homer, Eric R.

    2013-09-01

    Most materials microstructural evolution processes progress with multiple processes occurring simultaneously. In this work, we have concentrated on the processes that are active in nuclear materials, in particular, nuclear fuels. These processes are coarsening, nucleation, differential diffusion, phase transformation, radiation-induced defect formation and swelling, often with temperature gradients present. All these couple and contribute to evolution that is unique to nuclear fuels and materials. Hybrid model that combines elements from the Potts Monte Carlo, phase-field models and others have been developed to address these multiple physical processes. These models are described and applied to several processes in this report. An important feature of the models developed are that they are coded as applications within SPPARKS, a Sandiadeveloped framework for simulation at the mesoscale of microstructural evolution processes by kinetic Monte Carlo methods. This makes these codes readily accessible and adaptable for future applications.

  7. Modeling Coupled THMC Processes and Brine Migration in Salt at High Temperatures

    SciTech Connect (OSTI)

    Rutqvist, Jonny; Blanco Martin, Laura; Mukhopadhyay, Sumit; Houseworth, Jim; Birkholzer, Jens

    2014-08-14

    In this report, we present FY2014 progress by Lawrence Berkeley National Laboratory (LBNL) related to modeling of coupled thermal-hydrological-mechanical-chemical (THMC) processes in salt and their effect on brine migration at high temperatures. LBNL’s work on the modeling of coupled THMC processes in salt was initiated in FY2012, focusing on exploring and demonstrating the capabilities of an existing LBNL modeling tool (TOUGH-FLAC) for simulating temperature-driven coupled flow and geomechanical processes in salt. This work includes development related to, and implementation of, essential capabilities, as well as testing the model against relevant information and published experimental data related to the fate and transport of water. we provide more details on the FY2014 work, first presenting updated tools and improvements made to the TOUGH-FLAC simulator, and the use of this updated tool in a new model simulation of long-term THM behavior within a generic repository in a salt formation. This is followed by the description of current benchmarking and validations efforts, including the TSDE experiment. We then present the current status in the development of constitutive relationships and the dual-continuum model for brine migration. We conclude with an outlook for FY2015, which will be much focused on model validation against field experiments and on the use of the model for the design studies related to a proposed heater experiment.

  8. Report on Modeling Coupled Processes in the Near Field of a Clay Repository

    Broader source: Energy.gov [DOE]

    Clay/shale has been considered as potential host rock for geological disposal of high-level radioactive waste throughout the world. Coupled thermal, hydrological, mechanical, and chemical (THMC) processes have a significant impact on the long-term safety of a clay repository. This report documents results from three R&D activities: (1) implementation and validation of constitutive relationships, (2) development of a discrete fracture network (DFN) model for investigating coupled processes in the excavation damaged zone, and (3) development of a THM model for the Full-Scale Emplacement Experiment tests at Mont Terri, Switzerland, for the purpose of model validation. One major goal is to provide a better understanding of the evolution of the excavation damage zone in clay repositories.

  9. MODELING THE UREX-PLUS-3A PROCESS USING ASPEN PLUS COUPLED WITH AMUSE

    SciTech Connect (OSTI)

    Smith, F; Richard Dimenna, R

    2008-01-11

    A plant level simulation of the UREX+3a separations process has been developed using AMUSE for solvent extraction calculations coupled with Aspen Plus for other operations. AMUSE, an Excel based application developed at Argonne National Laboratory [1], performs a rigorous calculation of countercurrent solvent extraction processes using thermodynamically based distribution coefficients specifically designed for nuclear separations. Aspen Plus [2] models simulate other separations plant operations such as head end assembly chopping and dissolution, product solidification, acid recovery, off-gas treatment and waste water treatment. The model predicts that 55 feed streams and 14 output streams will be generated by separations plant operation. On the basis of one metric ton of initial reactor fuel, the model predicts a plant throughput of approximately 200 metric tonnes of material. Approximately half is treated waste water. Another 30% is gas emissions arising from feed to the calcination furnaces. The gas stream is treated for discharge to the environment. About 5% of the throughput is product material. Another 10% is recovered organics and acid that may be recycled. The remaining 5% is contaminated waste that requires disposal. While these results are preliminary, the model has successfully simulated operation of the UREX+3a separations process. Coupling AMUSE to Aspen Plus provides rigorous solvent extraction calculations directly within the plant simulation, greatly increasing the accuracy of the model. Many areas, such as acid recycle, can be optimized to improve performance and reduce material usage and waste generation. The rigorous plant simulation model resulting from this work provides a framework to conduct such studies. The model is easily modified to simulate other variations of the UREX+ process.

  10. MODELING COUPLED PROCESSES OF MULTIPHASE FLOW AND HEAT TRANSFER IN UNSATURATED FRACTURED ROCK

    SciTech Connect (OSTI)

    Y. Wu; S. Mukhopadhyay; K. Zhang; G.S. Bodvarsson

    2006-02-28

    A mountain-scale, thermal-hydrologic (TH) numerical model is developed for investigating unsaturated flow behavior in response to decay heat from the radioactive waste repository at Yucca Mountain, Nevada, USA. The TH model, consisting of three-dimensional (3-D) representations of the unsaturated zone, is based on the current repository design, drift layout, and thermal loading scenario under estimated current and future climate conditions. More specifically, the TH model implements the current geological framework and hydrogeological conceptual models, and incorporates the most updated, best-estimated input parameters. This mountain-scale TH model simulates the coupled TH processes related to mountain-scale multiphase fluid flow, and evaluates the impact of radioactive waste heat on the hydrogeological system, including thermally perturbed liquid saturation, gas- and liquid-phase fluxes, and water and rock temperature elevations, as well as the changes in water flux driven by evaporation/condensation processes and drainage between drifts. For a better description of the ambient geothermal condition of the unsaturated zone system, the TH model is first calibrated against measured borehole temperature data. The ambient temperature calibration provides the necessary surface and water table boundary as well as initial conditions. Then, the TH model is used to obtain scientific understanding of TH processes in the Yucca Mountain unsaturated zone under the designed schedule of repository thermal load.

  11. Vehicle Technologies Office Merit Review 2014: Coupled Hierarchical Models for Thermal, Mechanical, Electrical and Electrochemical Processes

    Office of Energy Efficiency and Renewable Energy (EERE)

    Presentation given by [company name] at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about coupled hierarchical models...

  12. The model coupling toolkit.

    SciTech Connect (OSTI)

    Larson, J. W.; Jacob, R. L.; Foster, I.; Guo, J.

    2001-04-13

    The advent of coupled earth system models has raised an important question in parallel computing: What is the most effective method for coupling many parallel models to form a high-performance coupled modeling system? We present our solution to this problem--The Model Coupling Toolkit (MCT). We explain how our effort to construct the Next-Generation Coupler for NCAR Community Climate System Model motivated us to create this toolkit. We describe in detail the conceptual design of the MCT and explain its usage in constructing parallel coupled models. We present preliminary performance results for the toolkit's parallel data transfer facilities. Finally, we outline an agenda for future development of the MCT.

  13. The Challenges to Coupling Dynamic Geospatial Models

    SciTech Connect (OSTI)

    Goldstein, N

    2006-06-23

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

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

    SciTech Connect (OSTI)

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

    2010-05-05

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

  15. Towards the Prediction of Decadal to Centennial Climate Processes in the Coupled Earth System Model

    SciTech Connect (OSTI)

    Liu, Zhengyu; Kutzbach, J.; Jacob, R.; Prentice, C.

    2011-12-05

    In this proposal, we have made major advances in the understanding of decadal and long term climate variability. (a) We performed a systematic study of multidecadal climate variability in FOAM-LPJ and CCSM-T31, and are starting exploring decadal variability in the IPCC AR4 models. (b) We develop several novel methods for the assessment of climate feedbacks in the observation. (c) We also developed a new initialization scheme DAI (Dynamical Analogue Initialization) for ensemble decadal prediction. (d) We also studied climate-vegetation feedback in the observation and models. (e) Finally, we started a pilot program using Ensemble Kalman Filter in CGCM for decadal climate prediction.

  16. Investigating coupled thermal-hydrological-mechanical processes...

    Office of Scientific and Technical Information (OSTI)

    processes in geothermal reservoirs Citation Details In-Document Search Title: Investigating coupled thermal-hydrological-mechanical processes in geothermal reservoirs ...

  17. Synthesis report on thermally driven coupled processes

    SciTech Connect (OSTI)

    Hardin, E.L.

    1997-10-15

    The main purpose of this report is to document observations and data on thermally coupled processes for conditions that are expected to occur within and around a repository at Yucca Mountain. Some attempt is made to summarize values of properties (e.g., thermal properties, hydrologic properties) that can be measured in the laboratory on intact samples of the rock matrix. Variation of these properties with temperature, or with conditions likely to be encountered at elevated temperature in the host rock, is of particular interest. However, the main emphasis of this report is on direct observation of thermally coupled processes at various scales. Direct phenomenological observations are vitally important in developing and testing conceptual models. If the mathematical implementation of a conceptual model predicts a consequence that is not observed, either (1) the parameters or the boundary conditions used in the calculation are incorrect or (2) the conceptual basis of the model does not fit the experiment; in either case, the model must be revised. For example, the effective continuum model that has been used in thermohydrology studies combines matrix and fracture flow in a way that is equivalent to an assumption that water is imbibed instantaneously from fractures into adjacent, partially saturated matrix. Based on this approximation, the continuum-flow response that is analogous to fracture flow will not occur until the effective continuum is almost completely saturated. This approximation is not entirely consistent with some of the experimental data presented in this report. This report documents laboratory work and field studies undertaken in FY96 and FY97 to investigate thermally coupled processes such as heat pipes and fracture-matrix coupling. In addition, relevant activities from past years, and work undertaken outside the Yucca Mountain project are summarized and discussed. Natural and artificial analogs are also discussed to provide a convenient source of

  18. Coupled molecular dynamics-Monte Carlo model to study the role of chemical processes during laser ablation of polymeric materials

    SciTech Connect (OSTI)

    Prasad, Manish; Conforti, Patrick F.; Garrison, Barbara J.

    2007-08-28

    The coarse grained chemical reaction model is enhanced to build a molecular dynamics (MD) simulation framework with an embedded Monte Carlo (MC) based reaction scheme. The MC scheme utilizes predetermined reaction chemistry, energetics, and rate kinetics of materials to incorporate chemical reactions occurring in a substrate into the MD simulation. The kinetics information is utilized to set the probabilities for the types of reactions to perform based on radical survival times and reaction rates. Implementing a reaction involves changing the reactants species types which alters their interaction potentials and thus produces the required energy change. We discuss the application of this method to study the initiation of ultraviolet laser ablation in poly(methyl methacrylate). The use of this scheme enables the modeling of all possible photoexcitation pathways in the polymer. It also permits a direct study of the role of thermal, mechanical, and chemical processes that can set off ablation. We demonstrate that the role of laser induced heating, thermomechanical stresses, pressure wave formation and relaxation, and thermochemical decomposition of the polymer substrate can be investigated directly by suitably choosing the potential energy and chemical reaction energy landscape. The results highlight the usefulness of such a modeling approach by showing that various processes in polymer ablation are intricately linked leading to the transformation of the substrate and its ejection. The method, in principle, can be utilized to study systems where chemical reactions are expected to play a dominant role or interact strongly with other physical processes.

  19. Induction coupled thermomagnetic processing: A disruptive technology

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ahmad, Aquil; Mackiewicz-Ludtka, Gail; Pfaffmann, George; Ludtka, Gerard Michael

    2016-06-01

    Here, one of the major goals of the U.S. Department of Energy (DoE) is to achieve energy savings with a corresponding reduction in the carbon footprint. With this in mind, the DoE sponsored the Induction Coupled Thermomagnetic Processing (ITMP) project with major partners Eaton Corp., Ajax Tocco Magnethermic, and Oak Ridge National Laboratory (ORNL) to evaluate the viability of processing metals in a strong magnetic field.

  20. Coupled transport processes in semipermeable media

    SciTech Connect (OSTI)

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

    1990-04-01

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

  1. A multilingual programming model for coupled systems.

    SciTech Connect (OSTI)

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

    2008-01-01

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

  2. Analysis of the adsorption process and of desiccant cooling systems: a pseudo- steady-state model for coupled heat and mass transfer. [DESSIM, DESSIM2, DESSIM4

    SciTech Connect (OSTI)

    Barlow, R.S.

    1982-12-01

    A computer model to simulate the adiabatic adsorption/desorption process is documented. Developed to predict the performance of desiccant cooling systems, the model has been validated through comparison with experimental data for single-blow adsorption and desorption. A literature review on adsorption analysis, detailed discussions of the adsorption process, and an initial assessment of the potential for performance improvement through advanced component development are included.

  3. Coupled hydro-mechanical processes in crytalline rock and inindurateda...

    Office of Scientific and Technical Information (OSTI)

    rock and ininduratedand plastic clays: A comparative discussion Citation Details In-Document Search Title: Coupled hydro-mechanical processes in crytalline rock and ...

  4. Coupled Biogeochemical Process Evaluation for Conceptualizing Trichloroethylene Co-Metabolism

    SciTech Connect (OSTI)

    Colwell, Frederick; Radtke, Corey; Newby, Deborah; Delwiche, Mark; Crawf, Ronald L.; Paszczynski, Andrzej; Strap, Janice; Conrad, Mark; Brodic, Eoin; Starr, Robert; Lee, Hope

    2006-04-05

    Chlorinated solvent wastes (e.g., trichloroethene or TCE) often occur as diffuse subsurface plumes in complex geological environments where coupled processes must be understood in order to implement remediation strategies. Monitored natural attenuation (MNA) warrants study as a remediation technology because it minimizes worker and environment exposure to the wastes and because it costs less than other technologies. However, to be accepted MNA requires 'lines of evidence' indicating that the wastes are effectively destroyed. Our research will study the coupled biogeochemical processes that dictate the rate of TCE co-metabolism in contaminated aquifers first at the Idaho National Laboratory and then at Paducah or the Savannah River Site, where natural attenuation of TCE is occurring. We will use flow-through in situ reactors to investigate the rate of methanotrophic co-metabolism of TCE and the coupling of the responsible biological processes with the dissolved methane flux and groundwater flow velocity. We will use new approaches (e.g., stable isotope probing, enzyme activity probes, real-time reverse transcriptase polymerase chain reaction, proteomics) to assay the TCE co-metabolic rates, and interpret these rates in the context of enzyme activity, gene expression, and cellular inactivation related to intermediates of TCE co-metabolism. By determining the rate of TCE co-metabolism at different methane concentrations and groundwater flow velocities, we will derive key modeling parameters for the computational simulations that describe the attenuation, and thereby refine such models while assessing the contribution of microbial relative to other natural attenuation processes. This research will strengthen our ability to forecast the viability of MNA at DOE and other sites that are contaminated with chlorinated hydrocarbons.

  5. Coupled Biogeochemical Process Evaluation for Conceptualizing Trichloroethylene Co-Metabolism

    SciTech Connect (OSTI)

    Rick Colwell; Corey Radtke; Mark Delwiche; Deborah Newby; Lynn Petzke; Mark Conrad; Eoin Brodie; Hope Lee; Bob Starr; Dana Dettmers; Ron Crawford; Andrzej Paszczynski; Nick Bernardini; Ravi Paidisetti; Tonia Green

    2006-06-01

    Chlorinated solvent wastes (e.g., trichloroethene or TCE) often occur as diffuse subsurface plumes in complex geological environments where coupled processes must be understood in order to implement remediation strategies. Monitored natural attenuation (MNA) warrants study as a remediation technology because it minimizes worker and environment exposure to the wastes and because it costs less than other technologies. However, to be accepted MNA requires different ?lines of evidence? indicating that the wastes are effectively destroyed. We are studying the coupled biogeochemical processes that dictate the rate of TCE co-metabolism first in the medial zone (TCE concentration: 1,000 to 20,000 ?g/L) of a plume at the Idaho National Laboratory?s Test Area North (TAN) site and then at Paducah or the Savannah River Site. We will use flow-through in situ reactors (FTISR) to investigate the rate of methanotrophic co-metabolism of TCE and the coupling of the responsible biological processes with the dissolved methane flux and groundwater flow velocity. TCE co-metabolic rates at TAN are being assessed and interpreted in the context of enzyme activity, gene expression, and cellular inactivation related to intermediates of TCE co-metabolism. By determining the rate of TCE co-metabolism at different groundwater flow velocities, we will derive key modeling parameters for the computational simulations that describe the attenuation, and thereby refine such models while assessing the contribution of microbial co-metabolism relative to other natural attenuation processes. This research will strengthen our ability to forecast the viability of MNA at DOE and other sites contaminated with chlorinated hydrocarbons.

  6. Mountain-Scale Coupled Processes (TH/THC/THM)

    SciTech Connect (OSTI)

    P. Dixon

    2004-02-09

    The purpose of this Model Report is to document the development of the Mountain-Scale Thermal-Hydrological (TH), Thermal-Hydrological-Chemical (THC), and Thermal-Hydrological-Mechanical (THM) Models and evaluate the effects of coupled TH/THC/THM processes on mountain-scale UZ flow at Yucca Mountain, Nevada. This Model Report was planned in ''Technical Work Plan (TWP) for: Performance Assessment Unsaturated Zone'' (BSC 2002 [160819], Section 1.12.7), and was developed in accordance with AP-SIII.10Q, Models. In this Model Report, any reference to ''repository'' means the nuclear waste repository at Yucca Mountain, and any reference to ''drifts'' means the emplacement drifts at the repository horizon. This Model Report provides the necessary framework to test conceptual hypotheses for analyzing mountain-scale hydrological/chemical/mechanical changes and predict flow behavior in response to heat release by radioactive decay from the nuclear waste repository at the Yucca Mountain site. The mountain-scale coupled TH/THC/THM processes models numerically simulate the impact of nuclear waste heat release on the natural hydrogeological system, including a representation of heat-driven processes occurring in the far field. The TH simulations provide predictions for thermally affected liquid saturation, gas- and liquid-phase fluxes, and water and rock temperature (together called the flow fields). The main focus of the TH Model is to predict the changes in water flux driven by evaporation/condensation processes, and drainage between drifts. The TH Model captures mountain-scale three dimensional (3-D) flow effects, including lateral diversion at the PTn/TSw interface and mountain-scale flow patterns. The Mountain-Scale THC Model evaluates TH effects on water and gas chemistry, mineral dissolution/precipitation, and the resulting impact to UZ hydrological properties, flow and transport. The THM Model addresses changes in permeability due to mechanical and thermal disturbances in

  7. Coupled Thermal-Hydrological-Mechanical-Chemical Model And Experiments...

    Broader source: Energy.gov (indexed) [DOE]

    Coupled Thermal-Hydrological-Mechanical-Chemical Model And Experiments For Optimization Of ... Coupled Thermal-Hydrological-Mechanical-Chemical Model and Experiments for Optimization ...

  8. Process for fabricating a charge coupled device

    DOE Patents [OSTI]

    Conder, Alan D.; Young, Bruce K. F.

    2002-01-01

    A monolithic three dimensional charged coupled device (3D-CCD) which utilizes the entire bulk of the semiconductor for charge generation, storage, and transfer. The 3D-CCD provides a vast improvement of current CCD architectures that use only the surface of the semiconductor substrate. The 3D-CCD is capable of developing a strong E-field throughout the depth of the semiconductor by using deep (buried) parallel (bulk) electrodes in the substrate material. Using backside illumination, the 3D-CCD architecture enables a single device to image photon energies from the visible, to the ultra-violet and soft x-ray, and out to higher energy x-rays of 30 keV and beyond. The buried or bulk electrodes are electrically connected to the surface electrodes, and an E-field parallel to the surface is established with the pixel in which the bulk electrodes are located. This E-field attracts charge to the bulk electrodes independent of depth and confines it within the pixel in which it is generated. Charge diffusion is greatly reduced because the E-field is strong due to the proximity of the bulk electrodes.

  9. Coupled hydro-mechanical processes and fault reactivation induced...

    Office of Scientific and Technical Information (OSTI)

    Coupled hydro-mechanical processes and fault reactivation induced by Co2 Injection in a three-layer storage formation Citation Details In-Document Search This content will become ...

  10. Solar terrestrial coupling through space plasma processes

    SciTech Connect (OSTI)

    Birn, J.

    2000-12-01

    This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The project investigates plasma processes that govern the interaction between the solar wind, charged particles ejected from the sun, and the earth's magnetosphere, the region above the ionosphere governed by the terrestrial magnetic field. Primary regions of interest are the regions where different plasma populations interact with each other. These are regions of particularly dynamic plasma behavior, associated with magnetic flux and energy transfer and dynamic energy release. The investigations concerned charged particle transport and energization, and microscopic and macroscopic instabilities in the magnetosphere and adjacent regions. The approaches combined space data analysis with theory and computer simulations.

  11. An Ice Sheet Model Initialization Procedure for Smooth Coupling...

    Office of Scientific and Technical Information (OSTI)

    Procedure for Smooth Coupling with Climate Forcing. Citation Details In-Document Search Title: An Ice Sheet Model Initialization Procedure for Smooth Coupling with Climate Forcing. ...

  12. Biosphere Process Model Report

    SciTech Connect (OSTI)

    J. Schmitt

    2000-05-25

    To evaluate the postclosure performance of a potential monitored geologic repository at Yucca Mountain, a Total System Performance Assessment (TSPA) will be conducted. Nine Process Model Reports (PMRs), including this document, are being developed to summarize the technical basis for each of the process models supporting the TSPA model. These reports cover the following areas: (1) Integrated Site Model; (2) Unsaturated Zone Flow and Transport; (3) Near Field Environment; (4) Engineered Barrier System Degradation, Flow, and Transport; (5) Waste Package Degradation; (6) Waste Form Degradation; (7) Saturated Zone Flow and Transport; (8) Biosphere; and (9) Disruptive Events. Analysis/Model Reports (AMRs) contain the more detailed technical information used to support TSPA and the PMRs. The AMRs consists of data, analyses, models, software, and supporting documentation that will be used to defend the applicability of each process model for evaluating the postclosure performance of the potential Yucca Mountain repository system. This documentation will ensure the traceability of information from its source through its ultimate use in the TSPA-Site Recommendation (SR) and in the National Environmental Policy Act (NEPA) analysis processes. The objective of the Biosphere PMR is to summarize (1) the development of the biosphere model, and (2) the Biosphere Dose Conversion Factors (BDCFs) developed for use in TSPA. The Biosphere PMR does not present or summarize estimates of potential radiation doses to human receptors. Dose calculations are performed as part of TSPA and will be presented in the TSPA documentation. The biosphere model is a component of the process to evaluate postclosure repository performance and regulatory compliance for a potential monitored geologic repository at Yucca Mountain, Nevada. The biosphere model describes those exposure pathways in the biosphere by which radionuclides released from a potential repository could reach a human receptor

  13. Final Project Report - Coupled Biogeochemical Process Evaluation for Conceptualizing Trichloriethylene Co-Metabolism: Co-Metabolic Enzyme Activity Probes and Modeling Co-Metabolism and Attenuation

    SciTech Connect (OSTI)

    Starr, Robert C; Orr, Brennon R; Lee, M Hope; Delwiche, Mark

    2010-02-26

    Trichloroethene (TCE) (also known as trichloroethylene) is a common contaminant in groundwater. TCE is regulated in drinking water at a concentration of 5 g/L, and a small mass of TCE has the potential to contaminant large volumes of water. The physical and chemical characteristics of TCE allow it to migrate quickly in most subsurface environments, and thus large plumes of contaminated groundwater can form from a single release. The migration and persistence of TCE in groundwater can be limited by biodegradation. TCE can be biodegraded via different processes under either anaerobic or aerobic conditions. Anaerobic biodegradation is widely recognized, but aerobic degradation is less well recognized. Under aerobic conditions, TCE can be oxidized to non hazardous conditions via cometabolic pathways. This study applied enzyme activity probes to demonstrate that cometabolic degradation of TCE occurs in aerobic groundwater at several locations, used laboratory microcosm studies to determine aerobic degradation rates, and extrapolated lab-measured rates to in situ rates based on concentrations of microorganisms with active enzymes involved in cometabolic TCE degradation. Microcosms were constructed using basalt chips that were inoculated with microorganisms to groundwater at the Idaho National Laboratory Test Area North TCE plume by filling a set of Flow-Through In Situ Reactors (FTISRs) with chips and placing the FTISRs into the open interval of a well for several months. A parametric study was performed to evaluate predicted degradation rates and concentration trends using a competitive inhibition kinetic model, which accounts for competition for enzyme active sites by both a growth substrate and a cometabolic substrate. The competitive inhibition kinetic expression was programmed for use in the RT3D reactive transport package. Simulations of TCE plume evolution using both competitive inhibition kinetics and first order decay were performed.

  14. Foam process models.

    SciTech Connect (OSTI)

    Moffat, Harry K.; Noble, David R.; Baer, Thomas A.; Adolf, Douglas Brian; Rao, Rekha Ranjana; Mondy, Lisa Ann

    2008-09-01

    In this report, we summarize our work on developing a production level foam processing computational model suitable for predicting the self-expansion of foam in complex geometries. The model is based on a finite element representation of the equations of motion, with the movement of the free surface represented using the level set method, and has been implemented in SIERRA/ARIA. An empirically based time- and temperature-dependent density model is used to encapsulate the complex physics of foam nucleation and growth in a numerically tractable model. The change in density with time is at the heart of the foam self-expansion as it creates the motion of the foam. This continuum-level model uses an homogenized description of foam, which does not include the gas explicitly. Results from the model are compared to temperature-instrumented flow visualization experiments giving the location of the foam front as a function of time for our EFAR model system.

  15. Development of a coupled thermo-hydro-mechanical model in discontinuous media for carbon sequestration

    SciTech Connect (OSTI)

    Fang, Yilin; Nguyen, Ba Nghiep; Carroll, Kenneth C.; Xu, Zhijie; Yabusaki, Steven B.; Scheibe, Timothy D.; Bonneville, Alain

    2013-09-12

    Geomechanical alteration of porous media is generally ignored for most shallow subsurface applications, whereas CO2 injection, migration, and trapping in deep saline aquifers will be controlled by coupled multifluid flow, energy transfer, and geomechanical processes. The accurate assessment of the risks associated with potential leakage of injected CO2 and the design of effective injection systems requires that we represent these coupled processes within numerical simulators. The objectives of this study were to develop a coupled thermal-hydro-mechanical model into a single software, and to examine the coupling of thermal, hydrological, and geomechanical processes for simulation of CO2 injection into the subsurface for carbon sequestration. A numerical model is developed to couple nonisothermal multiphase hydrological and geomechanical processes for prediction of multiple interconnected processes for carbon sequestration in deep saline aquifers. The geomechanics model was based on Rigid Body-Spring Model (RBSM), one of the discrete methods to model discontinuous rock system. Poissons effect that was often ignored by RBSM was considered in the model. The simulation of large-scale and long-term coupled processes in carbon capture and storage projects requires large memory and computational performance. Global Array Toolkit was used to build the model to permit the high performance simulations of the coupled processes. The model was used to simulate a case study with several scenarios to demonstrate the impacts of considering coupled processes and Poissons effect for the prediction of CO2 sequestration.

  16. Optimal Initial Conditions for Coupling Ice Sheet Models to Earth...

    Office of Scientific and Technical Information (OSTI)

    Optimal Initial Conditions for Coupling Ice Sheet Models to Earth System Models. Citation ... Country of Publication: United States Language: English Word Cloud More Like This Full ...

  17. optimal initial conditions for coupling ice sheet models to earth...

    Office of Scientific and Technical Information (OSTI)

    optimal initial conditions for coupling ice sheet models to earth system models Perego, Mauro Sandia National Laboratories Sandia National Laboratories; Price, Stephen F. Dr...

  18. Method of processing materials using an inductively coupled plasma

    DOE Patents [OSTI]

    Hull, D.E.; Bieniewski, T.M.

    1987-04-13

    A method of processing materials. The invention enables ultrafine, ultrapure powders to be formed from solid ingots in a gas free environment. A plasma is formed directly from an ingot which insures purity. The vaporized material is expanded through a nozzle and the resultant powder settles on a cold surface. An inductively coupled plasma may also be used to process waste chemicals. Noxious chemicals are directed through a series of plasma tubes, breaking molecular bonds and resulting in relatively harmless atomic constituents. 3 figs.

  19. Characterization of Coupled Hydrologic-Biogeochemical Processes Using Geophysical Data

    SciTech Connect (OSTI)

    Hubbard, Susan

    2005-06-01

    Biogeochemical and hydrological processes are naturally coupled and variable over a wide range of spatial and temporal scales. Many remediation approaches also induce dynamic transformations in natural systems, such as the generation of gases, precipitates and biofilms. These dynamic transformations are often coupled and can reduce the hydraulic conductivity of the geologic materials, making it difficult to introduce amendments or to perform targeted remediation. Because it is difficult to predict these transformations, our ability to develop effective and sustainable remediation conditions at contaminated sites is often limited. Further complicating the problem is the inability to collect the necessary measurements at a high enough spatial resolution yet over a large enough volume for understanding field-scale transformations.

  20. Coupled Thermal-Hydrological-Mechanical-Chemical Model and Experiments for

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Optimization of Enhanced Geothermal System Development and Production | Department of Energy Coupled Thermal-Hydrological-Mechanical-Chemical Model and Experiments for Optimization of Enhanced Geothermal System Development and Production Coupled Thermal-Hydrological-Mechanical-Chemical Model and Experiments for Optimization of Enhanced Geothermal System Development and Production Project objective: Develop a novel Thermal-Hydrological-Mechanical-Chemical (THMC) modeling tool.

  1. Mesoscale Modeling of Fuel Swelling and Restructuring: Coupling...

    Office of Scientific and Technical Information (OSTI)

    evolution and Mechanical Localization. Citation Details In-Document Search Title: Mesoscale Modeling of Fuel Swelling and Restructuring: Coupling Microstructure evolution and ...

  2. A coupling strategy for nonlocal and local diffusion models with...

    Office of Scientific and Technical Information (OSTI)

    Subject: 97 MATHEMATICS AND COMPUTING nonlocal models; coupling method; optimization; nonlocal vector calculus; mixed boundary conditions; nonlocal diffusion Word Cloud More Like ...

  3. Safer Batteries through Coupled Multiscale Modeling (ICCS 2015)

    SciTech Connect (OSTI)

    Turner, John A; Allu, Srikanth; Berrill, Mark A; Elwasif, Wael R; Kalnaus, Sergiy; Kumar, Abhishek; Lebrun-Grandie, Damien T; Pannala, Dr. Sreekanth; Simunovic, Srdjan

    2015-01-01

    Batteries are highly complex electrochemical systems, with performance and safety governed by coupled nonlinear electrochemical-electrical-thermal-mechanical processes over a range of spatiotemporal scales. We describe a new, open source computational environment for battery simulation known as VIBE - the Virtual Integrated Battery Environment. VIBE includes homogenized and pseudo-2D electrochemistry models such as those by Newman-Tiedemann-Gu (NTG) and Doyle- Fuller-Newman (DFN, a.k.a. DualFoil) as well as a new advanced capability known as AMPERES (Advanced MultiPhysics for Electrochemical and Renewable Energy Storage). AMPERES provides a 3D model for electrochemistry and full coupling with 3D electrical and thermal models on the same grid. VIBE/AMPERES has been used to create three-dimensional battery cell and pack models that explicitly simulate all the battery components (current collectors, electrodes, and separator). The models are used to predict battery performance under normal operations and to study thermal and mechanical response under adverse conditions.

  4. Exact solutions for a coupled nonlocal model of nanobeams

    SciTech Connect (OSTI)

    Marotti de Sciarra, Francesco E-mail: raffaele.barretta@unina.it; Barretta, Raffaele E-mail: raffaele.barretta@unina.it

    2014-10-06

    BERNOULLI-EULER nanobeams under concentrated forces/couples with the nonlocal constitutive behavior proposed by ERINGEN do not exhibit small-scale effects. A new model obtained by coupling the ERINGEN and gradient models is formulated in the present note. A variational treatment is developed by imposing suitable thermodynamic restrictions for nonlocal models and the ensuing differential and boundary conditions of elastic equilibrium are provided. The nonlocal elastostatic problem is solved in a closed-form for nanocantilever and clamped nanobeams.

  5. Radiolysis Process Model

    SciTech Connect (OSTI)

    Buck, Edgar C.; Wittman, Richard S.; Skomurski, Frances N.; Cantrell, Kirk J.; McNamara, Bruce K.; Soderquist, Chuck Z.

    2012-07-17

    Assessing the performance of spent (used) nuclear fuel in geological repository requires quantification of time-dependent phenomena that may influence its behavior on a time-scale up to millions of years. A high-level waste repository environment will be a dynamic redox system because of the time-dependent generation of radiolytic oxidants and reductants and the corrosion of Fe-bearing canister materials. One major difference between used fuel and natural analogues, including unirradiated UO2, is the intense radiolytic field. The radiation emitted by used fuel can produce radiolysis products in the presence of water vapor or a thin-film of water (including OH• and H• radicals, O2-, eaq, H2O2, H2, and O2) that may increase the waste form degradation rate and change radionuclide behavior. H2O2 is the dominant oxidant for spent nuclear fuel in an O2 depleted water environment, the most sensitive parameters have been identified with respect to predictions of a radiolysis model under typical conditions. As compared with the full model with about 100 reactions it was found that only 30-40 of the reactions are required to determine [H2O2] to one part in 10–5 and to preserve most of the predictions for major species. This allows a systematic approach for model simplification and offers guidance in designing experiments for validation.

  6. Fully Coupled Well Models for Fluid Injection and Production

    SciTech Connect (OSTI)

    White, Mark D.; Bacon, Diana H.; White, Signe K.; Zhang, Z. F.

    2013-08-05

    Wells are the primary engineered component of geologic sequestration systems with deep subsurface reservoirs. Wells provide a conduit for injecting greenhouse gases and producing reservoirs fluids, such as brines, natural gas, and crude oil, depending on the target reservoir. Well trajectories, well pressures, and fluid flow rates are parameters over which well engineers and operators have control during the geologic sequestration process. Current drilling practices provided well engineers flexibility in designing well trajectories and controlling screened intervals. Injection pressures and fluids can be used to purposely fracture the reservoir formation or to purposely prevent fracturing. Numerical simulation of geologic sequestration processes involves the solution of multifluid transport equations within heterogeneous geologic media. These equations that mathematically describe the flow of fluid through the reservoir formation are nonlinear in form, requiring linearization techniques to resolve. In actual geologic settings fluid exchange between a well and reservoir is a function of local pressure gradients, fluid saturations, and formation characteristics. In numerical simulators fluid exchange between a well and reservoir can be specified using a spectrum of approaches that vary from totally ignoring the reservoir conditions to fully considering reservoir conditions and well processes. Well models are a numerical simulation approach that account for local conditions and gradients in the exchange of fluids between the well and reservoir. As with the mathematical equations that describe fluid flow in the reservoir, variation in fluid properties with temperature and pressure yield nonlinearities in the mathematical equations that describe fluid flow within the well. To numerically simulate the fluid exchange between a well and reservoir the two systems of nonlinear multifluid flow equations must be resolved. The spectrum of numerical approaches for resolving

  7. Coupled Thermal-Hydrological-Mechanical-Chemical Model And Experiments For

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Optimization Of Enhanced Geothermal System Development And Production: Evaluation of Stimulation at the Newberry Volcano EGS Demonstration Site | Department of Energy Coupled Thermal-Hydrological-Mechanical-Chemical Model And Experiments For Optimization Of Enhanced Geothermal System Development And Production: Evaluation of Stimulation at the Newberry Volcano EGS Demonstration Site Coupled Thermal-Hydrological-Mechanical-Chemical Model And Experiments For Optimization Of Enhanced Geothermal

  8. Nuclear Hybrid Energy System Modeling: RELAP5 Dynamic Coupling Capabilities

    SciTech Connect (OSTI)

    Piyush Sabharwall; Nolan Anderson; Haihua Zhao; Shannon Bragg-Sitton; George Mesina

    2012-09-01

    The nuclear hybrid energy systems (NHES) research team is currently developing a dynamic simulation of an integrated hybrid energy system. A detailed simulation of proposed NHES architectures will allow initial computational demonstration of a tightly coupled NHES to identify key reactor subsystem requirements, identify candidate reactor technologies for a hybrid system, and identify key challenges to operation of the coupled system. This work will provide a baseline for later coupling of design-specific reactor models through industry collaboration. The modeling capability addressed in this report focuses on the reactor subsystem simulation.

  9. A Coupled THMC model of FEBEX mock-up test

    SciTech Connect (OSTI)

    Zheng, Liange; Samper, Javier

    2008-09-15

    FEBEX (Full-scale Engineered Barrier EXperiment) is a demonstration and research project for the engineered barrier system (EBS) of a radioactive waste repository in granite. It includes two full-scale heating and hydration tests: the in situ test performed at Grimsel (Switzerland) and a mock-up test operating at CIEMAT facilities in Madrid (Spain). The mock-up test provides valuable insight on thermal, hydrodynamic, mechanical and chemical (THMC) behavior of EBS because its hydration is controlled better than that of in situ test in which the buffer is saturated with water from the surrounding granitic rock. Here we present a coupled THMC model of the mock-up test which accounts for thermal and chemical osmosis and bentonite swelling with a state-surface approach. The THMC model reproduces measured temperature and cumulative water inflow data. It fits also relative humidity data at the outer part of the buffer, but underestimates relative humidities near the heater. Dilution due to hydration and evaporation near the heater are the main processes controlling the concentration of conservative species while surface complexation, mineral dissolution/precipitation and cation exchanges affect significantly reactive species as well. Results of sensitivity analyses to chemical processes show that pH is mostly controlled by surface complexation while dissolved cations concentrations are controlled by cation exchange reactions.

  10. Strong Local-Nonlocal Coupling for Integrated Fracture Modeling

    SciTech Connect (OSTI)

    Littlewood, David John; Silling, Stewart A.; Mitchell, John A.; Seleson, Pablo D.; Bond, Stephen D.; Parks, Michael L.; Turner, Daniel Z.; Burnett, Damon J.; Ostien, Jakob; Gunzburger, Max

    2015-09-01

    Peridynamics, a nonlocal extension of continuum mechanics, is unique in its ability to capture pervasive material failure. Its use in the majority of system-level analyses carried out at Sandia, however, is severely limited, due in large part to computational expense and the challenge posed by the imposition of nonlocal boundary conditions. Combined analyses in which peridynamics is em- ployed only in regions susceptible to material failure are therefore highly desirable, yet available coupling strategies have remained severely limited. This report is a summary of the Laboratory Directed Research and Development (LDRD) project "Strong Local-Nonlocal Coupling for Inte- grated Fracture Modeling," completed within the Computing and Information Sciences (CIS) In- vestment Area at Sandia National Laboratories. A number of challenges inherent to coupling local and nonlocal models are addressed. A primary result is the extension of peridynamics to facilitate a variable nonlocal length scale. This approach, termed the peridynamic partial stress, can greatly reduce the mathematical incompatibility between local and nonlocal equations through reduction of the peridynamic horizon in the vicinity of a model interface. A second result is the formulation of a blending-based coupling approach that may be applied either as the primary coupling strategy, or in combination with the peridynamic partial stress. This blending-based approach is distinct from general blending methods, such as the Arlequin approach, in that it is specific to the coupling of peridynamics and classical continuum mechanics. Facilitating the coupling of peridynamics and classical continuum mechanics has also required innovations aimed directly at peridynamic models. Specifically, the properties of peridynamic constitutive models near domain boundaries and shortcomings in available discretization strategies have been addressed. The results are a class of position-aware peridynamic constitutive laws for

  11. Method of processing materials using an inductively coupled plasma

    DOE Patents [OSTI]

    Hull, Donald E. (Los Alamos, NM); Bieniewski, Thomas M. (Los Alamos, NM)

    1990-01-01

    A method for making fine power using an inductively coupled plasma. The method provides a gas-free environment, since the plasma is formed without using a gas. The starting material used in the method is in solid form.

  12. Kinetic Modeling of Microbiological Processes

    SciTech Connect (OSTI)

    Liu, Chongxuan; Fang, Yilin

    2012-09-17

    Kinetic description of microbiological processes is vital for the design and control of microbe-based biotechnologies such as waste water treatment, petroleum oil recovery, and contaminant attenuation and remediation. Various models have been proposed to describe microbiological processes. This editorial article discusses the advantages and limiation of these modeling approaches in cluding tranditional, Monod-type models and derivatives, and recently developed constraint-based approaches. The article also offers the future direction of modeling researches that best suit for petroleum and environmental biotechnologies.

  13. Boson Hubbard model with weakly coupled fermions

    SciTech Connect (OSTI)

    Lutchyn, Roman M.; Tewari, Sumanta; Das Sarma, S.

    2008-12-01

    Using an imaginary-time path integral approach, we develop the perturbation theory suited to the boson Hubbard model and apply it to calculate the effects of a dilute gas of spin-polarized fermions weakly interacting with the bosons. The full theory captures both the static and the dynamic effects of the fermions on the generic superfluid-insulator phase diagram. We find that, in a homogenous system described by a single-band boson Hubbard Hamiltonian, the intrinsic perturbative effect of the fermions is to generically suppress the insulating lobes and to enhance the superfluid phase.

  14. Conservation Laws for Coupled Hydro-mechanical Processes in Unsaturated Porous Media: Theory and Implementation

    SciTech Connect (OSTI)

    Borja, R I; White, J A

    2010-02-19

    We develop conservation laws for coupled hydro-mechanical processes in unsaturated porous media using three-phase continuum mixture theory. From the first law of thermodynamics, we identify energy-conjugate variables for constitutive modeling at macroscopic scale. Energy conjugate expressions identified relate a certain measure of effective stress to the deformation of the solid matrix, the degree of saturation to the matrix suction, the pressure in each constituent phase to the corresponding intrinsic volume change of this phase, and the seepage forces to the corresponding pressure gradients. We then develop strong and weak forms of boundary-value problems relevant for 3D finite element modeling of coupled hydro-mechanical processes in unsaturated porous media. The paper highlights a 3D numerical example illustrating the advances in the solution of large-scale coupled finite element systems, as well as the challenges in developing more predictive tools satisfying the basic conservation laws and the observed constitutive responses for unsaturated porous materials.

  15. Reactive Transport and Coupled THM Processes in Engineering Barrier...

    Office of Scientific and Technical Information (OSTI)

    This may be important for identifying future modeling activities within the EBS group with ... Section 4 presents the results of geomechanical modeling using the Barcelona Basic Model ...

  16. High ethylene to ethane processes for oxidative coupling

    DOE Patents [OSTI]

    Chafin, Richard B.; Warren, Barbara K.

    1991-01-01

    Oxidative coupling of lower alkane to higher hydrocarbon is conducted using catalyst comprising barium and/or strontium component and a metal oxide combustion promoter in the presence of vapor phase halogen component. High ethylene to ethane mole ratios in the product can be obtained over extended operating periods.

  17. High ethylene to ethane processes for oxidative coupling

    DOE Patents [OSTI]

    Chafin, R.B.; Warren, B.K.

    1991-12-17

    Oxidative coupling of lower alkane to higher hydrocarbon is conducted using a catalyst comprising barium and/or strontium component and a metal oxide combustion promoter in the presence of vapor phase halogen component. High ethylene to ethane mole ratios in the product can be obtained over extended operating periods.

  18. Method of processing materials using an inductively coupled plasma

    DOE Patents [OSTI]

    Hull, Donald E.; Bieniewski, Thomas M.

    1989-01-01

    A method for coating surfaces or implanting ions in an object using an inductively coupled plasma. The method provides a gas-free environment, since the plasma is formed without using a gas. The coating material or implantation material is intitially in solid form.

  19. Coupling Mechanical with Electrochemical-Thermal Models for Batteries under Abuse

    SciTech Connect (OSTI)

    Wierzbicki, Tomasz; Sahraei, Elham; Dajka, Stephen; Li, Genong; Santhanagopalan, Shriram; Zhang, Chao; Kim, Gi-Heon; Sprague, Michael A.

    2015-06-09

    This presentation provides an update on coupled mechanical-electrochemical-thermal models for batteries under abuse.

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

    SciTech Connect (OSTI)

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

    2010-08-31

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

  1. Thin film coating process using an inductively coupled plasma

    DOE Patents [OSTI]

    Kniseley, Richard N.; Schmidt, Frederick A.; Merkle, Brian D.

    1990-01-30

    Thin coatings of normally solid materials are applied to target substrates using an inductively coupled plasma. Particles of the coating material are vaporized by plasma heating, and pass through an orifice to a first vacuum zone in which the particles are accelerated to a velocity greater than Mach 1. The shock wave generated in the first vacuum zone is intercepted by the tip of a skimmer cone that provides a second orifice. The particles pass through the second orifice into a second zone maintained at a higher vacuum and impinge on the target to form the coating. Ultrapure coatings can be formed.

  2. A bidirectional coupling procedure applied to multiscale respiratory modeling

    SciTech Connect (OSTI)

    Kuprat, A.P.; Kabilan, S.; Carson, J.P.; Corley, R.A.; Einstein, D.R.

    2013-07-01

    In this study, we present a novel multiscale computational framework for efficiently linking multiple lower-dimensional models describing the distal lung mechanics to imaging-based 3D computational fluid dynamics (CFDs) models of the upper pulmonary airways in order to incorporate physiologically appropriate outlet boundary conditions. The framework is an extension of the modified Newton’s method with nonlinear Krylov accelerator developed by Carlson and Miller [1], Miller [2] and Scott and Fenves [3]. Our extensions include the retention of subspace information over multiple timesteps, and a special correction at the end of a timestep that allows for corrections to be accepted with verified low residual with as little as a single residual evaluation per timestep on average. In the case of a single residual evaluation per timestep, the method has zero additional computational cost compared to uncoupled or unidirectionally coupled simulations. We expect these enhancements to be generally applicable to other multiscale coupling applications where timestepping occurs. In addition we have developed a “pressure-drop” residual which allows for stable coupling of flows between a 3D incompressible CFD application and another (lower-dimensional) fluid system. We expect this residual to also be useful for coupling non-respiratory incompressible fluid applications, such as multiscale simulations involving blood flow. The lower-dimensional models that are considered in this study are sets of simple ordinary differential equations (ODEs) representing the compliant mechanics of symmetric human pulmonary airway trees. To validate the method, we compare the predictions of hybrid CFD–ODE models against an ODE-only model of pulmonary airflow in an idealized geometry. Subsequently, we couple multiple sets of ODEs describing the distal lung to an imaging-based human lung geometry. Boundary conditions in these models consist of atmospheric pressure at the mouth and intrapleural

  3. A Bidirectional Coupling Procedure Applied to Multiscale Respiratory Modeling

    SciTech Connect (OSTI)

    Kuprat, Andrew P.; Kabilan, Senthil; Carson, James P.; Corley, Richard A.; Einstein, Daniel R.

    2013-07-01

    In this study, we present a novel multiscale computational framework for efficiently linking multiple lower-dimensional models describing the distal lung mechanics to imaging-based 3D computational fluid dynamics (CFD) models of the upper pulmonary airways in order to incorporate physiologically appropriate outlet boundary conditions. The framework is an extension of the Modified Newton’s Method with nonlinear Krylov accelerator developed by Carlson and Miller [1, 2, 3]. Our extensions include the retention of subspace information over multiple timesteps, and a special correction at the end of a timestep that allows for corrections to be accepted with verified low residual with as little as a single residual evaluation per timestep on average. In the case of a single residual evaluation per timestep, the method has zero additional computational cost compared to uncoupled or unidirectionally coupled simulations. We expect these enhancements to be generally applicable to other multiscale coupling applications where timestepping occurs. In addition we have developed a “pressure-drop” residual which allows for stable coupling of flows between a 3D incompressible CFD application and another (lower-dimensional) fluid system. We expect this residual to also be useful for coupling non-respiratory incompressible fluid applications, such as multiscale simulations involving blood flow. The lower-dimensional models that are considered in this study are sets of simple ordinary differential equations (ODEs) representing the compliant mechanics of symmetric human pulmonary airway trees. To validate the method, we compare the predictions of hybrid CFD-ODE models against an ODE-only model of pulmonary airflow in an idealized geometry. Subsequently, we couple multiple sets of ODEs describing the distal lung to an imaging-based human lung geometry. Boundary conditions in these models consist of atmospheric pressure at the mouth and intrapleural pressure applied to the multiple

  4. COUPLING

    DOE Patents [OSTI]

    Frisch, E.; Johnson, C.G.

    1962-05-15

    A detachable coupling arrangement is described which provides for varying the length of the handle of a tool used in relatively narrow channels. The arrangement consists of mating the key and keyhole formations in the cooperating handle sections. (AEC)

  5. Relativistic Point Coupling Model for Vibrational Excitations in the Continuum

    SciTech Connect (OSTI)

    Ring, P.; Daoutidis, J.; Litvinova, E.; Niksic, T.; Paar, N.; Vretenar, D.

    2009-08-26

    An implementation of the relativistic random phase approximation with the proper treatment of the continuum has been developed for the relativistic point coupling model and applied to investigate collective excitations in spherical nuclei. The results are compared with the spectral implementation of the same model. In heavy nuclei, where the escape width is negligible, we find an excellent agreement between both methods in the region of giant resonance and some discrepancies in the region of low-lying pygmy resonance. The differences are more pronounced in light nuclei due to the larger values of the escape widths.

  6. Strong-Coupling Resistivity in the Kondo Model

    SciTech Connect (OSTI)

    Lesage, F.; Saleur, H.

    1999-05-01

    By applying methods of integrable quantum field theory to the Kondo problem, we develop a systematic perturbation expansion near the IR (strong coupling) fixed point. This requires knowledge of an infinity of irrelevant operators and their couplings, which we determine exactly. A low temperature expansion (i.e., all the corrections to Fermi liquid theory) of the resistivity follows, extending the well-known Nozi{grave e}res T{sup 2} result in the exactly screened case to arbitrary order. The example of the ordinary Kondo model is worked out in detail: We determine {rho} up to order T{sup 6} and compare the result with available numerical data. {copyright} {ital 1999} {ital The American Physical Society}

  7. Spatial process and data models : toward integration of agent-based models and GIS.

    SciTech Connect (OSTI)

    Brown, D. G.; North, M. J.; Robinson, D. T.; Riolo, R.; Rand, W.; Decision and Information Sciences; Univ. of Michigan

    2007-10-01

    The use of object-orientation for both spatial data and spatial process models facilitates their integration, which can allow exploration and explanation of spatial-temporal phenomena. In order to better understand how tight coupling might proceed and to evaluate the possible functional and efficiency gains from such a tight coupling, we identify four key relationships affecting how geographic data (fields and objects) and agent-based process models can interact: identity, causal, temporal and topological. We discuss approaches to implementing tight integration, focusing on a middleware approach that links existing GIS and ABM development platforms, and illustrate the need and approaches with example agent-based models.

  8. Multimode laser model with coupled cavities and quantum noise

    SciTech Connect (OSTI)

    Hodges, S.E.; Munroe, M.; Cooper, J.; Raymer, M.G.

    1997-01-01

    A stochastic, semiclassical model is developed for a multimode, homogeneously broadened laser with rapid dipole dephasing, appropriate for semiconductor, Ti:sapphire, or dye lasers. The theory self-consistently incorporates population dynamics including temporal beating effects and relaxation oscillations, spatial hole burning, coherent-wave mixing, and quantum noise. The model is valid for single- and compound-cavity lasers in which the mode frequencies are well defined. We pay particular attention to finding a useful mode basis in the case that the gain medium does not completely fill the cavity. This situation can lead to coupled-cavity effects. For typical systems the model is valid for pump rates up to several times threshold and is tractable for numerical simulations. The theoretical development described in this paper is applied to an experimental system in a companion paper [J. Opt. Soc. Am. B {bold 14}, 180 (1997)]. {copyright} 1997 Optical Society of America.

  9. An Eulerian CFD Model and X-ray Radiography for Coupled Nozzle...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Model and X-ray Radiography for Coupled Nozzle Flow and Spray in Internal Combustion Engines Title An Eulerian CFD Model and X-ray Radiography for Coupled Nozzle Flow and Spray in...

  10. An Eulerian CFD model and X-ray radiography for coupled nozzle...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    An Eulerian CFD model and X-ray radiography for coupled nozzle flow and spray in internal combustion engines Title An Eulerian CFD model and X-ray radiography for coupled nozzle...

  11. A literature review of coupled thermal-hydrologic-mechanical-chemical processes pertinent to the proposed high-level nuclear waste repository at Yucca Mountain

    SciTech Connect (OSTI)

    Manteufel, R.D.; Ahola, M.P.; Turner, D.R.; Chowdhury, A.H.

    1993-07-01

    A literature review has been conducted to determine the state of knowledge available in the modeling of coupled thermal (T), hydrologic (H), mechanical (M), and chemical (C) processes relevant to the design and/or performance of the proposed high-level waste (HLW) repository at Yucca Mountain, Nevada. The review focuses on identifying coupling mechanisms between individual processes and assessing their importance (i.e., if the coupling is either important, potentially important, or negligible). The significance of considering THMC-coupled processes lies in whether or not the processes impact the design and/or performance objectives of the repository. A review, such as reported here, is useful in identifying which coupled effects will be important, hence which coupled effects will need to be investigated by the US Nuclear Regulatory Commission in order to assess the assumptions, data, analyses, and conclusions in the design and performance assessment of a geologic reposit``. Although this work stems from regulatory interest in the design of the geologic repository, it should be emphasized that the repository design implicitly considers all of the repository performance objectives, including those associated with the time after permanent closure. The scope of this review is considered beyond previous assessments in that it attempts with the current state-of-knowledge) to determine which couplings are important, and identify which computer codes are currently available to model coupled processes.

  12. Panel report on coupled thermo-mechanical-hydro-chemical processes associated with a nuclear waste repository

    SciTech Connect (OSTI)

    Tsang, C.F.; Mangold, D.C.

    1984-07-01

    Four basic physical processes, thermal, hydrological, mechanical and chemical, are likely to occur in 11 different types of coupling during the service life of an underground nuclear waste repository. A great number of coupled processes with various degrees of importance for geological repositories were identified and arranged into these 11 types. A qualitative description of these processes and a tentative evaluation of their significance and the degree of uncertainty in prediction is given. Suggestions for methods of investigation generally include, besides theoretical work, laboratory and large scale field testing. Great efforts of a multidisciplinary nature are needed to elucidate details of several coupled processes under different temperature conditions in different geological formations. It was suggested that by limiting the maximum temperature to 100{sup 0}C in the backfill and in the host rock during the whole service life of the repository the uncertainties in prediction of long-term repository behavior might be considerably reduced.

  13. Models of radiofrequency coupling for negative ion sources

    SciTech Connect (OSTI)

    Cavenago, M.; Petrenko, S.

    2012-02-15

    Radiofrequency heating for ICP (inductively coupled plasma) ion sources depends on the source operating pressure, the presence or absence of a Faraday shield, the driver coil geometry, the frequency used, and the magnetic field configuration: in negative ion source a magnetic filter seems necessary for H{sup -} survival. The result of single particle simulations showing the possibility of electron acceleration in the preglow regime and for reasonable driver chamber radius (15 cm) is reported, also as a function of the static external magnetic field. An effective plasma conductivity, depending not only from electron density, temperature, and rf field but also on static magnetic field is here presented and compared to previous models. Use of this conductivity and of multiphysics tools for a plasma transport and heating model is shown and discussed for a small source.

  14. Cupola Furnace Computer Process Model

    SciTech Connect (OSTI)

    Seymour Katz

    2004-12-31

    The cupola furnace generates more than 50% of the liquid iron used to produce the 9+ million tons of castings annually. The cupola converts iron and steel into cast iron. The main advantages of the cupola furnace are lower energy costs than those of competing furnaces (electric) and the ability to melt less expensive metallic scrap than the competing furnaces. However the chemical and physical processes that take place in the cupola furnace are highly complex making it difficult to operate the furnace in optimal fashion. The results are low energy efficiency and poor recovery of important and expensive alloy elements due to oxidation. Between 1990 and 2004 under the auspices of the Department of Energy, the American Foundry Society and General Motors Corp. a computer simulation of the cupola furnace was developed that accurately describes the complex behavior of the furnace. When provided with the furnace input conditions the model provides accurate values of the output conditions in a matter of seconds. It also provides key diagnostics. Using clues from the diagnostics a trained specialist can infer changes in the operation that will move the system toward higher efficiency. Repeating the process in an iterative fashion leads to near optimum operating conditions with just a few iterations. More advanced uses of the program have been examined. The program is currently being combined with an ''Expert System'' to permit optimization in real time. The program has been combined with ''neural network'' programs to affect very easy scanning of a wide range of furnace operation. Rudimentary efforts were successfully made to operate the furnace using a computer. References to these more advanced systems will be found in the ''Cupola Handbook''. Chapter 27, American Foundry Society, Des Plaines, IL (1999).

  15. Process modeling and industrial energy use

    SciTech Connect (OSTI)

    Howe, S O; Pilati, D A; Sparrow, F T

    1980-11-01

    How the process models developed at BNL are used to analyze industrial energy use is described and illustrated. Following a brief overview of the industry modeling program, the general methodology of process modeling is discussed. The discussion highlights the important concepts, contents, inputs, and outputs of a typical process model. A model of the US pulp and paper industry is then discussed as a specific application of process modeling methodology. Case study results from the pulp and paper model illustrate how process models can be used to analyze a variety of issues. Applications addressed with the case study results include projections of energy demand, conservation technology assessment, energy-related tax policies, and sensitivity analysis. A subsequent discussion of these results supports the conclusion that industry process models are versatile and powerful tools for energy end-use modeling and conservation analysis. Information on the current status of industry models at BNL is tabulated.

  16. Affine group formulation of the Standard Model coupled to gravity

    SciTech Connect (OSTI)

    Chou, Ching-Yi; Ita, Eyo; Soo, Chopin

    2014-04-15

    In this work we apply the affine group formalism for four dimensional gravity of Lorentzian signature, which is based on Klauders affine algebraic program, to the formulation of the Hamiltonian constraint of the interaction of matter and all forces, including gravity with non-vanishing cosmological constant ?, as an affine Lie algebra. We use the hermitian action of fermions coupled to gravitation and YangMills theory to find the density weight one fermionic super-Hamiltonian constraint. This term, combined with the YangMills and Higgs energy densities, are composed with Yorks integrated time functional. The result, when combined with the imaginary part of the ChernSimons functional Q, forms the affine commutation relation with the volume element V(x). Affine algebraic quantization of gravitation and matter on equal footing implies a fundamental uncertainty relation which is predicated upon a non-vanishing cosmological constant. -- Highlights: WheelerDeWitt equation (WDW) quantized as affine algebra, realizing Klauders program. WDW formulated for interaction of matter and all forces, including gravity, as affine algebra. WDW features Hermitian generators in spite of fermionic content: Standard Model addressed. Constructed a family of physical states for the full, coupled theory via affine coherent states. Fundamental uncertainty relation, predicated on non-vanishing cosmological constant.

  17. Simulation of Coupled Processes of Flow, Transport, and Storage of CO2 in Saline Aquifers

    SciTech Connect (OSTI)

    Wu, Yu-Shu; Chen, Zizhong; Kazemi, Hossein; Yin, Xiaolong; Pruess, Karsten; Oldenburg, Curt; Winterfeld, Philip; Zhang, Ronglei

    2014-09-30

    This report is the final scientific one for the award DE- FE0000988 entitled “Simulation of Coupled Processes of Flow, Transport, and Storage of CO2 in Saline Aquifers.” The work has been divided into six tasks. In task, “Development of a Three-Phase Non-Isothermal CO2 Flow Module,” we developed a fluid property module for brine-CO2 mixtures designed to handle all possible phase combinations of aqueous phase, sub-critical liquid and gaseous CO2, supercritical CO2, and solid salt. The thermodynamic and thermophysical properties of brine-CO2 mixtures (density, viscosity, and specific enthalpy of fluid phases; partitioning of mass components among the different phases) use the same correlations as an earlier fluid property module that does not distinguish between gaseous and liquid CO2-rich phases. We verified the fluid property module using two leakage scenarios, one that involves CO2 migration up a blind fault and subsequent accumulation in a secondary “parasitic” reservoir at shallower depth, and another investigating leakage of CO2 from a deep storage reservoir along a vertical fault zone. In task, “Development of a Rock Mechanical Module,” we developed a massively parallel reservoir simulator for modeling THM processes in porous media brine aquifers. We derived, from the fundamental equations describing deformation of porous elastic media, a momentum conservation equation relating mean stress, pressure, and temperature, and incorporated it alongside the mass and energy conservation equations from the TOUGH2 formulation, the starting point for the simulator. In addition, rock properties, namely permeability and porosity, are functions of effective stress and other variables that are obtained from the literature. We verified the simulator formulation and numerical implementation using analytical solutions and example problems from the literature. For the former, we matched a one-dimensional consolidation problem and a two-dimensional simulation of

  18. Coupled Model for Heat and Water Transport in a High Level Waste Repository in Salt

    Broader source: Energy.gov [DOE]

    This report summarizes efforts to simulate coupled thermal-hydrological-chemical (THC) processes occurring within a generic hypothetical high-level waste (HLW) repository in bedded salt.

  19. Numerical study on coupled fluid flow and heat transfer process in parabolic trough solar collector tube

    SciTech Connect (OSTI)

    Tao, Y.B.; He, Y.L.

    2010-10-15

    A unified two-dimensional numerical model was developed for the coupled heat transfer process in parabolic solar collector tube, which includes nature convection, forced convection, heat conduction and fluid-solid conjugate problem. The effects of Rayleigh number (Ra), tube diameter ratio and thermal conductivity of the tube wall on the heat transfer and fluid flow performance were numerically analyzed. The distributions of flow field, temperature field, local Nu and local temperature gradient were examined. The results show that when Ra is larger than 10{sup 5}, the effects of nature convection must be taken into account. With the increase of tube diameter ratio, the Nusselt number in inner tube (Nu{sub 1}) increases and the Nusselt number in annuli space (Nu{sub 2}) decreases. With the increase of tube wall thermal conductivity, Nu{sub 1} decreases and Nu{sub 2} increases. When thermal conductivity is larger than 200 W/(m K), it would have little effects on Nu and average temperatures. Due to the effect of the nature convection, along the circumferential direction (from top to down), the temperature in the cross-section decreases and the temperature gradient on inner tube surface increases at first. Then, the temperature and temperature gradients would present a converse variation at {theta} near {pi}. The local Nu on inner tube outer surface increases along circumferential direction until it reaches a maximum value then it decreases again. (author)

  20. Advances in Coupling of Kinetics and Molecular Scale Tools to Shed Light on Soil Biogeochemical Processes

    SciTech Connect (OSTI)

    Sparks, Donald

    2014-09-02

    Biogeochemical processes in soils such as sorption, precipitation, and redox play critical roles in the cycling and fate of nutrients, metal(loid)s and organic chemicals in soil and water environments. Advanced analytical tools enable soil scientists to track these processes in real-time and at the molecular scale. Our review focuses on recent research that has employed state-of-the-art molecular scale spectroscopy, coupled with kinetics, to elucidate the mechanisms of nutrient and metal(loid) reactivity and speciation in soils. We found that by coupling kinetics with advanced molecular and nano-scale tools major advances have been made in elucidating important soil chemical processes including sorption, precipitation, dissolution, and redox of metal(loids) and nutrients. Such advances will aid in better predicting the fate and mobility of nutrients and contaminants in soils and water and enhance environmental and agricultural sustainability.

  1. Coupling a transient solvent extraction module with the separations and safeguards performance model.

    SciTech Connect (OSTI)

    DePaoli, David W.; Birdwell, Joseph F.; Gauld, Ian C.; Cipiti, Benjamin B.; de Almeida, Valmor F.

    2009-10-01

    A number of codes have been developed in the past for safeguards analysis, but many are dated, and no single code is able to cover all aspects of materials accountancy, process monitoring, and diversion scenario analysis. The purpose of this work was to integrate a transient solvent extraction simulation module developed at Oak Ridge National Laboratory, with the Separations and Safeguards Performance Model (SSPM), developed at Sandia National Laboratory, as a first step toward creating a more versatile design and evaluation tool. The SSPM was designed for materials accountancy and process monitoring analyses, but previous versions of the code have included limited detail on the chemical processes, including chemical separations. The transient solvent extraction model is based on the ORNL SEPHIS code approach to consider solute build up in a bank of contactors in the PUREX process. Combined, these capabilities yield a more robust transient separations and safeguards model for evaluating safeguards system design. This coupling and initial results are presented. In addition, some observations toward further enhancement of separations and safeguards modeling based on this effort are provided, including: items to be addressed in integrating legacy codes, additional improvements needed for a fully functional solvent extraction module, and recommendations for future integration of other chemical process modules.

  2. Ultrafast spin exchange-coupling torque via photo-excited charge-transfer processes

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ma, X.; Fang, F.; Li, Q.; Zhu, J.; Yang, Y.; Wu, Y. Z.; Zhao, H. B.; Lüpke, G.

    2015-10-28

    In this study, optical control of spin is of central importance in the research of ultrafast spintronic devices utilizing spin dynamics at short time scales. Recently developed optical approaches such as ultrafast demagnetization, spin-transfer and spin-orbit torques open new pathways to manipulate spin through its interaction with photon, orbit, charge or phonon. However, these processes are limited by either the long thermal recovery time or the low-temperature requirement. Here we experimentally demonstrate ultrafast coherent spin precession via optical charge-transfer processes in the exchange-coupled Fe/CoO system at room temperature. The efficiency of spin precession excitation is significantly higher and the recoverymore » time of the exchange-coupling torque is much shorter than for the demagnetization procedure, which is desirable for fast switching. The exchange coupling is a key issue in spin valves and tunnelling junctions, and hence our findings will help promote the development of exchange-coupled device concepts for ultrafast coherent spin manipulation.« less

  3. Ultrafast spin exchange-coupling torque via photo-excited charge-transfer processes

    SciTech Connect (OSTI)

    Ma, X.; Fang, F.; Li, Q.; Zhu, J.; Yang, Y.; Wu, Y. Z.; Zhao, H. B.; Lüpke, G.

    2015-10-28

    In this study, optical control of spin is of central importance in the research of ultrafast spintronic devices utilizing spin dynamics at short time scales. Recently developed optical approaches such as ultrafast demagnetization, spin-transfer and spin-orbit torques open new pathways to manipulate spin through its interaction with photon, orbit, charge or phonon. However, these processes are limited by either the long thermal recovery time or the low-temperature requirement. Here we experimentally demonstrate ultrafast coherent spin precession via optical charge-transfer processes in the exchange-coupled Fe/CoO system at room temperature. The efficiency of spin precession excitation is significantly higher and the recovery time of the exchange-coupling torque is much shorter than for the demagnetization procedure, which is desirable for fast switching. The exchange coupling is a key issue in spin valves and tunnelling junctions, and hence our findings will help promote the development of exchange-coupled device concepts for ultrafast coherent spin manipulation.

  4. Mathematical Formulation Requirements and Specifications for the Process Models

    SciTech Connect (OSTI)

    Steefel, C.; Moulton, D.; Pau, G.; Lipnikov, K.; Meza, J.; Lichtner, P.; Wolery, T.; Bacon, D.; Spycher, N.; Bell, J.; Moridis, G.; Yabusaki, S.; Sonnenthal, E.; Zyvoloski, G.; Andre, B.; Zheng, L.; Davis, J.

    2010-11-01

    The Advanced Simulation Capability for Environmental Management (ASCEM) is intended to be a state-of-the-art scientific tool and approach for understanding and predicting contaminant fate and transport in natural and engineered systems. The ASCEM program is aimed at addressing critical EM program needs to better understand and quantify flow and contaminant transport behavior in complex geological systems. It will also address the long-term performance of engineered components including cementitious materials in nuclear waste disposal facilities, in order to reduce uncertainties and risks associated with DOE EM's environmental cleanup and closure activities. Building upon national capabilities developed from decades of Research and Development in subsurface geosciences, computational and computer science, modeling and applied mathematics, and environmental remediation, the ASCEM initiative will develop an integrated, open-source, high-performance computer modeling system for multiphase, multicomponent, multiscale subsurface flow and contaminant transport. This integrated modeling system will incorporate capabilities for predicting releases from various waste forms, identifying exposure pathways and performing dose calculations, and conducting systematic uncertainty quantification. The ASCEM approach will be demonstrated on selected sites, and then applied to support the next generation of performance assessments of nuclear waste disposal and facility decommissioning across the EM complex. The Multi-Process High Performance Computing (HPC) Simulator is one of three thrust areas in ASCEM. The other two are the Platform and Integrated Toolsets (dubbed the Platform) and Site Applications. The primary objective of the HPC Simulator is to provide a flexible and extensible computational engine to simulate the coupled processes and flow scenarios described by the conceptual models developed using the ASCEM Platform. The graded and iterative approach to assessments naturally

  5. Workshop "Shales at All Scales: Exploring Coupled Processes" Is a

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Success "Shales at All Scales: Exploring Coupled Processes" Is a Success - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing

  6. Unitary coupled-channels model for three-mesons decays of heavy mesons

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Hiroyuki Kamano; Nakamura, Satoshi X.; Lee, Tsung-Shung H.; Sato, Toru

    2011-12-16

    In this study, a unitary coupled-channels model is presented for investigating the decays of heavy mesons and excited meson states into three light pseudoscalar mesons. The model accounts for the three-mesons final state interactions in the decay processes, as required by both the three-body and two-body unitarity conditions. In the absence of the Z-diagram mechanisms that are necessary consequences of the three-body unitarity, our decay amplitudes are reduced to a form similar to those used in the so-called isobar-model analysis. We apply our coupled-channels model to the three-pions decays of α1(1260), π2(1670), π2(2100), and D0 mesons, and show that themore » Z-diagram mechanisms can contribute to the calculated Dalitz plot distributions by as much as 30% in magnitudes in the regions where f0(600), ρ(770), and f2(1270) dominate the distributions. Also, by fitting to the same Dalitz plot distributions, we demonstrate that the decay amplitudes obtained with the unitary model and the isobar model can be rather different, particularly in the phase that plays a crucial role in extracting the CKM CP-violating phase from the data of B meson decays. Our results indicate that the commonly used isobar model analysis must be extended to account for the final state interactions required by the three-body unitarity to reanalyze the three-mesons decays of heavy mesons, thereby exploring hybrid or exotic mesons, and signatures of physics beyond the standard model.« less

  7. A coupled THMC model of a heating and hydration laboratory experiment in unsaturated compacted FEBEX bentonite

    SciTech Connect (OSTI)

    Zheng, L.; Samper, J.; Montenegro, L.; Fernandez, A.M.

    2010-05-01

    Unsaturated compacted bentonite is foreseen by several countries as a backfill and sealing material in high-level radioactive waste repositories. The strong interplays between thermal (T), hydrodynamic (H), mechanical (M) and chemical (C) processes during the hydration stage of a repository call for fully coupled THMC models. Validation of such THMC models is prevented by the lack of comprehensive THMC experiments and the difficulties of experimental methods to measure accurately the chemical composition of bentonite porewater. We present here a non-isothermal multiphase flow and multicomponent reactive solute transport model for a deformable medium of a heating and hydration experiment performed on a sample of compacted FEBEX bentonite. Besides standard solute transport and geochemical processes, the model accounts for solute cross diffusion and thermal and chemical osmosis. Bentonite swelling is solved with a state-surface approach. The THM model is calibrated with transient temperature, water content and porosity data measured at the end of the experiment. The reactive transport model is calibrated with porewater chemical data derived from aqueous extract data. Model results confirm that thermal osmosis is relevant for the hydration of FEBEX bentonite while chemical osmosis can be safely neglected. Dilution and evaporation are the main processes controlling the concentration of conservative species. Dissolved cations are mostly affected by calcite dissolution-precipitation and cation exchange reactions. Dissolved sulphate is controlled by gypsum/anhydrite dissolution-precipitation. pH is mostly buffered by protonation/deprotonation via surface complexation. Computed concentrations agree well with inferred aqueous extract data at all sections except near the hydration boundary where cation data are affected by a sampling artifact. The fit of Cl{sup -} data is excellent except for the data near the heater. The largest deviations of the model from inferred aqueous

  8. Coupled Environmental Processes and Long-term Performance of Landfill Covers in the northern Mojave Desert

    SciTech Connect (OSTI)

    David Shafer; Michael Young; Stephen Zitzer; Eric McDonald; Todd Caldwell

    2004-05-12

    Evapotransiration (ET) covers have gained widespread acceptance as a closure feature for waste disposal sites, particularly in the arid and semi-arid regions of the southwestern U.S. But as landforms, ET covers are subject to change over time because of processes such as pedogenesis, hydrologic processes, vegetation establishment and change, and biological processes. To better understand the effects of coupled process changes to ET covers, a series of four primary analog sites in Yucca Flat on the Nevada Test Site, along with measurements and observations from other locations in the Mojave Desert, were selected to evaluate changes in ET covers over time. The analog sites, of varying ages, were selected to address changes in the early post-institutional control period, the 1,000-year compliance period for disposal of low-level and mixed low-level waste, and the 10,000-year compliance period for transuranic waste sites.

  9. Ab-initio modeling of electromechanical coupling at Si surfaces

    SciTech Connect (OSTI)

    Hoppe, Sandra; Mller, Stefan; Michl, Anja; Weissmller, Jrg

    2014-08-21

    The electromechanical coupling at the silicon (100) and (111) surfaces was studied via density functional theory by calculating the response of the ionization potential and the electron affinity to different types of strain. We find a branched strain response of those two quantities with different coupling coefficients for negative and positive strain values. This can be attributed to the reduced crystal symmetry due to anisotropic strain, which partially lifts the degeneracy of the valence and conduction bands. Only the Si(111) electron affinity exhibits a monotonously linear strain response, as the conduction band valleys remain degenerate under strain. The strain response of the surface dipole is linear and seems to be dominated by volume changes. Our results may help to understand the mechanisms behind electromechanical coupling at an atomic level in greater detail and for different electronic and atomic structures.

  10. MODEL OF DIFFUSERS / PERMEATORS FOR HYDROGEN PROCESSING

    SciTech Connect (OSTI)

    Hang, T; William Jacobs, W

    2007-08-27

    Palladium-silver (Pd-Ag) diffusers are mainstays of hydrogen processing. Diffusers separate hydrogen from inert species such as nitrogen, argon or helium. The tubing becomes permeable to hydrogen when heated to more than 250 C and a differential pressure is created across the membrane. The hydrogen diffuses better at higher temperatures. Experimental or experiential results have been the basis for determining or predicting a diffuser's performance. However, the process can be mathematically modeled, and comparison to experimental or other operating data can be utilized to improve the fit of the model. A reliable model-based diffuser system design is the goal which will have impacts on tritium and hydrogen processing. A computer model has been developed to solve the differential equations for diffusion given the operating boundary conditions. The model was compared to operating data for a low pressure diffuser system. The modeling approach and the results are presented in this paper.

  11. Fuel Conditioning Facility Electrorefiner Process Model

    SciTech Connect (OSTI)

    DeeEarl Vaden

    2005-10-01

    The Fuel Conditioning Facility at the Idaho National Laboratory processes spent nuclear fuel from the Experimental Breeder Reactor II using electro-metallurgical treatment. To process fuel without waiting for periodic sample analyses to assess process conditions, an electrorefiner process model predicts the composition of the electrorefiner inventory and effluent streams. For the chemical equilibrium portion of the model, the two common methods for solving chemical equilibrium problems, stoichiometric and non stoichiometric, were investigated. In conclusion, the stoichiometric method produced equilibrium compositions close to the measured results whereas the non stoichiometric method did not.

  12. Assessing the Vulnerability of Large Critical Infrastructure Using Fully-Coupled Blast Effects Modeling

    SciTech Connect (OSTI)

    McMichael, L D; Noble, C R; Margraf, J D; Glascoe, L G

    2009-03-26

    Structural failures, such as the MacArthur Maze I-880 overpass in Oakland, California and the I-35 bridge in Minneapolis, Minnesota, are recent examples of our national infrastructure's fragility and serve as an important reminder of such infrastructure in our everyday lives. These two failures, as well as the World Trade Center's collapse and the levee failures in New Orleans, highlight the national importance of protecting our infrastructure as much as possible against acts of terrorism and natural hazards. This paper describes a process for evaluating the vulnerability of critical infrastructure to large blast loads using a fully-coupled finite element approach. A description of the finite element software and modeling technique is discussed along with the experimental validation of the numerical tools. We discuss how such an approach can be used for specific problems such as modeling the progressive collapse of a building.

  13. Method and apparatus for measuring coupled flow, transport, and reaction processes under liquid unsaturated flow conditions

    DOE Patents [OSTI]

    McGrail, Bernard P.; Martin, Paul F.; Lindenmeier, Clark W.

    1999-01-01

    The present invention is a method and apparatus for measuring coupled flow, transport and reaction processes under liquid unsaturated flow conditions. The method and apparatus of the present invention permit distinguishing individual precipitation events and their effect on dissolution behavior isolated to the specific event. The present invention is especially useful for dynamically measuring hydraulic parameters when a chemical reaction occurs between a particulate material and either liquid or gas (e.g. air) or both, causing precipitation that changes the pore structure of the test material.

  14. Coupled Dynamic Modeling of Floating Wind Turbine Systems: Preprint

    SciTech Connect (OSTI)

    Wayman, E. N.; Sclavounos, P. D.; Butterfield, S.; Jonkman, J.; Musial, W.

    2006-03-01

    This article presents a collaborative research program that the Massachusetts Institute of Technology (MIT) and the National Renewable Energy Laboratory (NREL) have undertaken to develop innovative and cost-effective floating and mooring systems for offshore wind turbines in water depths of 10-200 m. Methods for the coupled structural, hydrodynamic, and aerodynamic analysis of floating wind turbine systems are presented in the frequency domain. This analysis was conducted by coupling the aerodynamics and structural dynamics code FAST [4] developed at NREL with the wave load and response simulation code WAMIT (Wave Analysis at MIT) [15] developed at MIT. Analysis tools were developed to consider coupled interactions between the wind turbine and the floating system. These include the gyroscopic loads of the wind turbine rotor on the tower and floater, the aerodynamic damping introduced by the wind turbine rotor, the hydrodynamic damping introduced by wave-body interactions, and the hydrodynamic forces caused by wave excitation. Analyses were conducted for two floater concepts coupled with the NREL 5-MW Offshore Baseline wind turbine in water depths of 10-200 m: the MIT/NREL Shallow Drafted Barge (SDB) and the MIT/NREL Tension Leg Platform (TLP). These concepts were chosen to represent two different methods of achieving stability to identify differences in performance and cost of the different stability methods. The static and dynamic analyses of these structures evaluate the systems' responses to wave excitation at a range of frequencies, the systems' natural frequencies, and the standard deviations of the systems' motions in each degree of freedom in various wind and wave environments. This article in various wind and wave environments. This article explores the effects of coupling the wind turbine with the floating platform, the effects of water depth, and the effects of wind speed on the systems' performance. An economic feasibility analysis of the two concepts

  15. Do Coupled Climate Models Correctly SImulate the Upward Branch of the Deept Ocean Global Conveyor?

    SciTech Connect (OSTI)

    Sarmiento, Jorge L; Downes, Stephanie; Bianchi, Daniele

    2013-01-17

    The large-scale meridional overturning circulation (MOC) connects the deep ocean, a major reservoir of carbon, to the other components of the climate system and must therefore be accurately represented in Earth System Models. Our project aims to address the specific question of the pathways and mechanisms controlling the upwelling branch of the MOC, a subject of significant disagreement between models and observational syntheses, and among general circulation models. Observations of these pathways are limited, particularly in regions of complex hydrography such as the Southern Ocean. As such, we rely on models to examine theories of the overturning circulation, both physically and biogeochemically. This grant focused on a particular aspect of the meridional overturning circulation (MOC) where there is currently significant disagreement between models and observationally based analyses of the MOC, and amongst general circulation models. In particular, the research focused on addressing the following questions: 1. Where does the deep water that sinks in the polar regions rise to the surface? 2. What processes are responsible for this rise? 3. Do state-of-the-art coupled GCMs capture these processes? Our research had three key components: observational synthesis, model development and model analysis. In this final report we outline the key results from these areas of research for the 2007 to 2012 grant period. The research described here was carried out primarily by graduate student, Daniele Bianchi (now a Postdoc at McGill University, Canada), and Postdoc Stephanie Downes (now a Research Fellow at The Australian national University, Australia). Additional support was provided for programmers Jennifer Simeon as well as Rick Slater.

  16. Combined dispersion & explosion modeling in process safety

    SciTech Connect (OSTI)

    Fry, M.A.

    1996-08-01

    Computer modeling of explosions within process facilities is usually a multistep process. A procedure might be: First, accidental releases of gases are postulated and then modeled with a dispersion code. Flammable materials are analyzed to find the contours within the flammability limits. Next, the amount of material and physical extent is fed to a explosion code, which outputs the overpressure and impulse. Then the damage must be related to pressure and impulse through P-1 diagrams, which are empirically derived. A separate calculation for thermal output is also required to analyze damage from direct radiation and secondary fires. We present a modular computer architecture that can be used to determine the sensitivity of not only the input scenario, but the accuracy of each of the models used in the process. For example, we have combined computer models, which can assess damage from toxic only clouds and/or flammable clouds. The PCBLAST{sup {reg_sign}}methodology and DEGADIS have been combined into an integrated computer architecture that allows the user the ability to see damage levels for any scenario. This approach can be used with any set of dispersion and explosion models. Furthermore, at each step of the procedure, error bars are placed on the model output. These errors propagate and affect the final answer, the damage. In this way a probabilistic assessment of damage can be ascertained either from scenario variation or model inaccuracy. The accuracy of the models, both dispersion and explosion, is of importance. However, the uncertainties in the scenarios may diminish the need for highly accurate models. For example, the PCBLAST{sup {reg_sign}}computer module is based on first principles physics, and as a result is highly accurate. Combining the modeling process into a linked and interactive computer code allows one to quantitatively assess the source of the uncertainties; in the models and/or in the definition of scenarios.

  17. Simulated evolution of fractures and fracture networks subject to thermal cooling: A coupled discrete element and heat conduction model

    SciTech Connect (OSTI)

    Huang, Hai; Plummer, Mitchell; Podgorney, Robert

    2013-02-01

    Advancement of EGS requires improved prediction of fracture development and growth during reservoir stimulation and long-term operation. This, in turn, requires better understanding of the dynamics of the strongly coupled thermo-hydro-mechanical (THM) processes within fractured rocks. We have developed a physically based rock deformation and fracture propagation simulator by using a quasi-static discrete element model (DEM) to model mechanical rock deformation and fracture propagation induced by thermal stress and fluid pressure changes. We also developed a network model to simulate fluid flow and heat transport in both fractures and porous rock. In this paper, we describe results of simulations in which the DEM model and network flow & heat transport model are coupled together to provide realistic simulation of the changes of apertures and permeability of fractures and fracture networks induced by thermal cooling and fluid pressure changes within fractures. Various processes, such as Stokes flow in low velocity pores, convection-dominated heat transport in fractures, heat exchange between fluid-filled fractures and solid rock, heat conduction through low-permeability matrices and associated mechanical deformations are all incorporated into the coupled model. The effects of confining stresses, developing thermal stress and injection pressure on the permeability evolution of fracture and fracture networks are systematically investigated. Results are summarized in terms of implications for the development and evolution of fracture distribution during hydrofracturing and thermal stimulation for EGS.

  18. Developing Fully Coupled Subchannel Model in RELAP-7

    SciTech Connect (OSTI)

    Hongbin Zhang; Ling Zou; Haihua Zhao; Richard Martineau

    2014-09-01

    This is a DOE milestone report documenting the implementation of the subchannel model into the RELAP-7 code.

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

    SciTech Connect (OSTI)

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

    2011-02-15

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

  20. Accelerating the spin-up of the coupled carbon and nitrogen cycle model in CLM4

    SciTech Connect (OSTI)

    Fang, Yilin; Liu, Chongxuan; Leung, Lai-Yung R.

    2015-03-24

    The commonly adopted biogeochemistry spin-up process in an Earth system model (ESM) is to run the model for hundreds to thousands of years subject to periodic atmospheric forcing to reach dynamic steady state of the carbon–nitrogen (CN) models. A variety of approaches have been proposed to reduce the computation time of the spin-up process. Significant improvement in computational efficiency has been made recently. However, a long simulation time is still required to reach the common convergence criteria of the coupled carbon–nitrogen model. A gradient projection method was proposed and used to further reduce the computation time after examining the trend of the dominant carbon pools. The Community Land Model version 4 (CLM4) with a carbon and nitrogen component was used in this study. From point-scale simulations, we found that the method can reduce the computation time by 20–69% compared to one of the fastest approaches in the literature. We also found that the cyclic stability of total carbon for some cases differs from that of the periodic atmospheric forcing, and some cases even showed instability. Close examination showed that one case has a carbon periodicity much longer than that of the atmospheric forcing due to the annual fire disturbance that is longer than half a year. The rest was caused by the instability of water table calculation in the hydrology model of CLM4. The instability issue is resolved after we replaced the hydrology scheme in CLM4 with a flow model for variably saturated porous media.

  1. Accelerating the spin-up of the coupled carbon and nitrogen cycle model in CLM4

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Fang, Yilin; Liu, Chongxuan; Leung, Lai-Yung R.

    2015-03-24

    The commonly adopted biogeochemistry spin-up process in an Earth system model (ESM) is to run the model for hundreds to thousands of years subject to periodic atmospheric forcing to reach dynamic steady state of the carbon–nitrogen (CN) models. A variety of approaches have been proposed to reduce the computation time of the spin-up process. Significant improvement in computational efficiency has been made recently. However, a long simulation time is still required to reach the common convergence criteria of the coupled carbon–nitrogen model. A gradient projection method was proposed and used to further reduce the computation time after examining the trendmore » of the dominant carbon pools. The Community Land Model version 4 (CLM4) with a carbon and nitrogen component was used in this study. From point-scale simulations, we found that the method can reduce the computation time by 20–69% compared to one of the fastest approaches in the literature. We also found that the cyclic stability of total carbon for some cases differs from that of the periodic atmospheric forcing, and some cases even showed instability. Close examination showed that one case has a carbon periodicity much longer than that of the atmospheric forcing due to the annual fire disturbance that is longer than half a year. The rest was caused by the instability of water table calculation in the hydrology model of CLM4. The instability issue is resolved after we replaced the hydrology scheme in CLM4 with a flow model for variably saturated porous media.« less

  2. Simulating High Flux Isotope Reactor Core Thermal-Hydraulics via Interdimensional Model Coupling

    SciTech Connect (OSTI)

    Travis, Adam R

    2014-05-01

    A coupled interdimensional model is presented for the simulation of the thermal-hydraulic characteristics of the High Flux Isotope Reactor core at Oak Ridge National Laboratory. The model consists of two domains a solid involute fuel plate and the surrounding liquid coolant channel. The fuel plate is modeled explicitly in three-dimensions. The coolant channel is approximated as a twodimensional slice oriented perpendicular to the fuel plate s surface. The two dimensionally-inconsistent domains are linked to one another via interdimensional model coupling mechanisms. The coupled model is presented as a simplified alternative to a fully explicit, fully three-dimensional model. Involute geometries were constructed in SolidWorks. Derivations of the involute construction equations are presented. Geometries were then imported into COMSOL Multiphysics for simulation and modeling. Both models are described in detail so as to highlight their respective attributes in the 3D model, the pursuit of an accurate, reliable, and complete solution; in the coupled model, the intent to simplify the modeling domain as much as possible without affecting significant alterations to the solution. The coupled model was created with the goal of permitting larger portions of the reactor core to be modeled at once without a significant sacrifice to solution integrity. As such, particular care is given to validating incorporated model simplifications. To the greatest extent possible, the decrease in solution time as well as computational cost are quantified versus the effects such gains have on the solution quality. A variant of the coupled model which sufficiently balances these three solution characteristics is presented alongside the more comprehensive 3D model for comparison and validation.

  3. Report of the second meeting of the consultants on coupled processes associated with geological disposal of nuclear waste

    SciTech Connect (OSTI)

    Tsang, Chin-Fu; Mangold, D.C.

    1985-09-01

    The second meeting of the Consultants on Coupled Processes Associated with Geological Disposal of Nuclear Waste occurred on January 15-16, 1985 at Lawrence Berkeley Laboratory (LBL). All the consultants were present except Dr. K. Kovari, who presented comments in writing afterward. This report contains a brief summary of the presentations and discussions from the meeting. The main points of the speakers' topics are briefly summarized in the report. Some points that emerged during the discussions of the presentations are included in the text related to the respective talks. These comments are grouped under the headings: Comments on Coupled Processes in Unsaturated Fractured Porous Media, Comments on Overview of Coupled Processes, Presentations by Consultants on Selected Topics of Current Interest in Coupled Processes, and Recommendations for Underground Field Tests with Applications to Three Geologic Environments.

  4. Modeling of HCCI and PCCI Combustion Processes | Department of...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    HCCI and PCCI Combustion Processes Modeling of HCCI and PCCI Combustion Processes 2005 ... More Documents & Publications Numerical Modeling of HCCI Combustion High Fidelity Modeling ...

  5. Estimation of landfill emission lifespan using process oriented modeling

    SciTech Connect (OSTI)

    Ustohalova, Veronika . E-mail: veronika.ustohalova@uni-essen.de; Ricken, Tim; Widmann, Renatus

    2006-07-01

    Depending on the particular pollutants emitted, landfills may require service activities lasting from hundreds to thousands of years. Flexible tools allowing long-term predictions of emissions are of key importance to determine the nature and expected duration of maintenance and post-closure activities. A highly capable option represents predictions based on models and verified by experiments that are fast, flexible and allow for the comparison of various possible operation scenarios in order to find the most appropriate one. The intention of the presented work was to develop a experimentally verified multi-dimensional predictive model capable of quantifying and estimating processes taking place in landfill sites where coupled process description allows precise time and space resolution. This constitutive 2-dimensional model is based on the macromechanical theory of porous media (TPM) for a saturated thermo-elastic porous body. The model was used to simulate simultaneously occurring processes: organic phase transition, gas emissions, heat transport, and settlement behavior on a long time scale for municipal solid waste deposited in a landfill. The relationships between the properties (composition, pore structure) of a landfill and the conversion and multi-phase transport phenomena inside it were experimentally determined. In this paper, we present both the theoretical background of the model and the results of the simulations at one single point as well as in a vertical landfill cross section.

  6. Coupled land-ocean-atmosphere processes and South Asian monsoon variability

    SciTech Connect (OSTI)

    Meehl, G.A.

    1994-10-14

    Results from a global coupled ocean-atmosphere climate model and a model with specified tropical convective heating anomalies show that the South Asian monsoon was an active part of the tropical biennial oscillation (TBO). Convective heating anomalies over Africa and the western Pacific Ocean associated with the TBO altered the simulated pattern of atmospheric circulation for the Northern Hemisphere winter mid-latitude over Asia. This alteration in the mid-latitude circulation maintained temperature anomalies over South Asia through winter and helped set up the land-sea temperature contrast for subsequent monsoon development. South Asian snow cover contributed to monsoon strength but was symptomatic of the larger scale alteration in the mid-latitude atmospheric circulation pattern. 36 refs., 5 figs.

  7. Attrition and abrasion models for oil shale process modeling

    SciTech Connect (OSTI)

    Aldis, D.F.

    1991-10-25

    As oil shale is processed, fine particles, much smaller than the original shale are created. This process is called attrition or more accurately abrasion. In this paper, models of abrasion are presented for oil shale being processed in several unit operations. Two of these unit operations, a fluidized bed and a lift pipe are used in the Lawrence Livermore National Laboratory Hot-Recycle-Solid (HRS) process being developed for the above ground processing of oil shale. In two reports, studies were conducted on the attrition of oil shale in unit operations which are used in the HRS process. Carley reported results for attrition in a lift pipe for oil shale which had been pre-processed either by retorting or by retorting then burning. The second paper, by Taylor and Beavers, reported results for a fluidized bed processing of oil shale. Taylor and Beavers studied raw, retorted, and shale which had been retorted and then burned. In this paper, empirical models are derived, from the experimental studies conducted on oil shale for the process occurring in the HRS process. The derived models are presented along with comparisons with experimental results.

  8. Modeling shear failure and permeability enhancement due to coupled...

    Office of Scientific and Technical Information (OSTI)

    formations is critical in effective EGS reservoir development and management strategies. ... The code incorporates several models of fracture aperture and stress behavior combined ...

  9. Coupled Thermal-Hydrological-Mechanical-Chemical Model And Experiments...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    ... purpose of this slide is to provide some context for evaluating your project. * Please ... Project and a DOE FOA project on model development for nontraditional isotopes - ...

  10. Coupled Mechanical-Electrochemical-Thermal Modeling for Accelerated...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Modeling for Accelerated Design of EV Batteries Shriram Santhanagopalan, Chao Zhang, ... provide insight to design improved batteries for electric vehicles III. Work funded ...

  11. Modeling the effect of glacier recession on streamflow response using a coupled glacio-hydrological model

    SciTech Connect (OSTI)

    Naz, Bibi S [ORNL] [ORNL; Frans, Chris [University of Washington, Seattle] [University of Washington, Seattle; Clarke, Garry [University of British Columbia, Vancouver] [University of British Columbia, Vancouver; Burns, [Watershed Sciences Inc. (WSI), Portland] [Watershed Sciences Inc. (WSI), Portland; Lettenmaier, Dennis [University of Washington, Seattle] [University of Washington, Seattle

    2014-01-01

    We describe an integrated spatially distributed hydrologic and glacier dynamic model, and use it to investigate the effect of glacier recession on streamflow variations for the Upper Bow River basin, a tributary of the South Saskatchewan River. Several recent studies have suggested that observed decreases in summer flows in the South Saskatchewan River are partly due to the retreat of glaciers in the river's headwaters. Modeling the effect of glacier changes on streamflow response in river basins such as the South Saskatchewan is complicated due to the inability of most existing physically-based distributed hydrologic models to represent glacier dynamics. We compare predicted variations in glacier extent, snow water equivalent and streamflow discharge made with the integrated model with satellite estimates of glacier area and terminus position, observed streamflow and snow water equivalent measurements over the period of 1980 2007. Simulations with the coupled hydrology-glacier model reduce the uncertainty in streamflow predictions. Our results suggested that on average, the glacier melt contribution to the Bow River flow upstream of Lake Louise is about 30% in summer. For warm and dry years, however, the glacier melt contribution can be as large as 50% in August, whereas for cold years, it can be as small as 20% and the timing of glacier melt signature can be delayed by a month.

  12. Coal-to-Liquids Process Model

    SciTech Connect (OSTI)

    2006-01-01

    A comprehensive Aspen Plus model has been developed to rigorously model coal-to-liquids processes. This portion was developed under Laboratory Directed Research and Development (LDRD) funding. The model is built in a modular fashion to allow rapid reconfiguration for evaluation of process options. Aspen Plus is the framework in which the model is developed. The coal-to-liquids simulation package is an assemble of Aspen Hierarchy Blocks representing subsections of the plant. Each of these Blocks are considered individual components of the Copyright, which may be extracted and licensed as individual components, but which may be combined with one or more other components, to model general coal-conversion processes, including the following plant operations: (1) coal handling and preparation, (2) coal pyrolysis, combustion, or gasification, (3) syngas conditioning and cleanup, (4) sulfur recovery using Claus-SCOT unit operations, (5) Fischer-Tropsch liquid fuels synthesis, (6) hydrocracking of high molecular weight paraffin, (7) hydrotreating of low molecular weight paraffin and olefins, (8) gas separations, and (9) power generation representing integrated combined cycle technology.

  13. Coal-to-Liquids Process Model

    Energy Science and Technology Software Center (OSTI)

    2006-01-01

    A comprehensive Aspen Plus model has been developed to rigorously model coal-to-liquids processes. This portion was developed under Laboratory Directed Research and Development (LDRD) funding. The model is built in a modular fashion to allow rapid reconfiguration for evaluation of process options. Aspen Plus is the framework in which the model is developed. The coal-to-liquids simulation package is an assemble of Aspen Hierarchy Blocks representing subsections of the plant. Each of these Blocks are consideredmore » individual components of the Copyright, which may be extracted and licensed as individual components, but which may be combined with one or more other components, to model general coal-conversion processes, including the following plant operations: (1) coal handling and preparation, (2) coal pyrolysis, combustion, or gasification, (3) syngas conditioning and cleanup, (4) sulfur recovery using Claus-SCOT unit operations, (5) Fischer-Tropsch liquid fuels synthesis, (6) hydrocracking of high molecular weight paraffin, (7) hydrotreating of low molecular weight paraffin and olefins, (8) gas separations, and (9) power generation representing integrated combined cycle technology.« less

  14. The Carbon-Land Model Intercomparison Project (C-LAMP): A Model-Data Comparison System for Evaluation of Coupled Biosphere-Atmosphere Models

    SciTech Connect (OSTI)

    Hoffman, Forrest M; Randerson, Jim; Thornton, Peter E; Mahowald, Natalie; Bonan, Gordon; Running, Steven; Fung, Inez

    2009-01-01

    The need to capture important climate feebacks in general circulation models (GCMs) has resulted in new efforts to include atmospheric chemistry and land and ocean biogeochemistry into the next generation of production climate models, now often referred to as Earth System Models (ESMs). While many terrestrial and ocean carbon models have been coupled to GCMs, recent work has shown that such models can yield a wide range of results, suggesting that a more rigorous set of offline and partially coupled experiments, along with detailed analyses of processes and comparisons with measurements, are warranted. The Carbon-Land Model Intercomparison Project (C-LAMP) provides a simulation protocol and model performance metrics based upon comparisons against best-available satellite- and ground-based measurements (Hoffman et al., 2007). C-LAMP provides feedback to the modeling community regarding model improvements and to the measurement community by suggesting new observational campaigns. C-LAMP Experiment 1 consists of a set of uncoupled simulations of terrestrial carbon models specifically designed to examine the ability of the models to reproduce surface carbon and energy fluxes at multiple sites and to exhibit the influence of climate variability, prescribed atmospheric carbon dioxide (CO{sub 2}), nitrogen (N) deposition, and land cover change on projections of terrestrial carbon fluxes during the 20th century. Experiment 2 consists of partially coupled simulations of the terrestrial carbon model with an active atmosphere model exchanging energy and moisture fluxes. In all experiments, atmospheric CO{sub 2} follows the prescribed historical trajectory from C{sup 4}MIP. In Experiment 2, the atmosphere model is forced with prescribed sea surface temperatures (SSTs) and corresponding sea ice concentrations from the Hadley Centre; prescribed CO{sub 2} is radiatively active; and land, fossil fuel, and ocean CO{sub 2} fluxes are advected by the model. Both sets of experiments

  15. Coupling the Mixed Potential and Radiolysis Models for Used Fuel Degradation

    SciTech Connect (OSTI)

    Buck, Edgar C.; Jerden, James L.; Ebert, William L.; Wittman, Richard S.

    2013-08-30

    The primary purpose of this report is to describe the strategy for coupling three process level models to produce an integrated Used Fuel Degradation Model (FDM). The FDM, which is based on fundamental chemical and physical principals, provides direct calculation of radionuclide source terms for use in repository performance assessments. The G-value for H2O2 production (Gcond) to be used in the Mixed Potential Model (MPM) (H2O2 is the only radiolytic product presently included but others will be added as appropriate) needs to account for intermediate spur reactions. The effects of these intermediate reactions on [H2O2] are accounted for in the Radiolysis Model (RM). This report details methods for applying RM calculations that encompass the effects of these fast interactions on [H2O2] as the solution composition evolves during successive MPM iterations and then represent the steady-state [H2O2] in terms of an effective instantaneous or conditional generation value (Gcond). It is anticipated that the value of Gcond will change slowly as the reaction progresses through several iterations of the MPM as changes in the nature of fuel surface occur. The Gcond values will be calculated with the RM either after several iterations or when concentrations of key reactants reach threshold values determined from previous sensitivity runs. Sensitivity runs with RM indicate significant changes in G-value can occur over narrow composition ranges. The objective of the mixed potential model (MPM) is to calculate the used fuel degradation rates for a wide range of disposal environments to provide the source term radionuclide release rates for generic repository concepts. The fuel degradation rate is calculated for chemical and oxidative dissolution mechanisms using mixed potential theory to account for all relevant redox reactions at the fuel surface, including those involving oxidants produced by solution radiolysis and provided by the radiolysis model (RM). The RM calculates the

  16. Using Coupled Harmonic Oscillators to Model Some Greenhouse Gas Molecules

    SciTech Connect (OSTI)

    Go, Clark Kendrick C.; Maquiling, Joel T.

    2010-07-28

    Common greenhouse gas molecules SF{sub 6}, NO{sub 2}, CH{sub 4}, and CO{sub 2} are modeled as harmonic oscillators whose potential and kinetic energies are derived. Using the Euler-Lagrange equation, their equations of motion are derived and their phase portraits are plotted. The authors use these data to attempt to explain the lifespan of these gases in the atmosphere.

  17. Evaluating Model Parameterizations of Arctic Processes

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Model Parameterizations of Arctic Processes S. D. Greenberg, A. R. Metcalf, J. Y. Harrington, and J. Verlinde Pennsylvania State University University Park, Pennsylvania Introduction An understanding of the arctic climate system has become a high priority research area because of its importance to global climate change (IPCC 1990). Unfortunately, our studies of this region are in their infancy and we lack a broad knowledge of the Arctic. This deficiency is due to the scarcity of observations and

  18. Measurement and modeling of transfer functions for lightning coupling into the Sago mine.

    SciTech Connect (OSTI)

    Morris, Marvin E.; Higgins, Matthew B.

    2007-04-01

    This report documents measurements and analytical modeling of electromagnetic transfer functions to quantify the ability of cloud-to-ground lightning strokes (including horizontal arc-channel components) to couple electromagnetic energy into the Sago mine located near Buckhannon, WV. Two coupling mechanisms were measured: direct and indirect drive. These transfer functions are then used to predict electric fields within the mine and induced voltages on conductors that were left abandoned in the sealed area of the Sago mine.

  19. Continuous Evaluation of Fast Processes in Climate Models Using...

    Office of Scientific and Technical Information (OSTI)

    of Fast Processes in Climate Models Using Arm Measurements Citation Details In-Document Search Title: Continuous Evaluation of Fast Processes in Climate Models Using Arm ...

  20. Evaluation of Generic EBS Design Concepts and Process Models...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Generic EBS Design Concepts and Process Models Implications to EBS Design Optimization Evaluation of Generic EBS Design Concepts and Process Models Implications to EBS Design...

  1. Computer Modeling of Chemical and Geochemical Processes in High...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Computer modeling of chemical and geochemical processes in high ionic strength solutions ... in brine Computer modeling of chemical and geochemical processes in high ionic ...

  2. Thermal Modeling of A Friction Bonding Process

    SciTech Connect (OSTI)

    John Dixon; Douglas Burkes; Pavel Medvedev

    2007-10-01

    A COMSOL model capable of predicting temperature evolution during nuclear fuel fabrication is being developed at the Idaho National Laboratory (INL). Fuel plates are fabricated by friction bonding (FB) uranium-molybdenum (U-Mo) alloy foils positioned between two aluminum plates. The ability to predict temperature distribution during fabrication is imperative to ensure good quality bonding without inducing an undesirable chemical reaction between U-Mo and aluminum. A three-dimensional heat transfer model of the FB process implementing shallow pin penetration for cladding monolithic nuclear fuel foils is presented. Temperature distribution during the FB process as a function of fabrication parameters such as weld speed, tool load, and tool rotational frequency are predicted. Model assumptions, settings, and equations are described in relation to standard friction stir welding. Current experimental design for validation and calibration of the model is also demonstrated. Resulting experimental data reveal the accuracy in describing asymmetrical temperature distributions about the tool face. Temperature of the bonded plate drops beneath the pin and is higher on the advancing side than the retreating side of the tool.

  3. Final Progress Report: Coupled Biogeochemical Process Evaluation for Conceptualizing Trichloroethylene Cometabolism

    SciTech Connect (OSTI)

    Crawford, Ronald L; Paszczynski, Andrzej J

    2010-02-19

    Our goal within the overall project is to demonstrate the presence and abundance of methane monooxygenases (MMOs) enzymes and their genes within the microbial community of the Idaho National Laboratory (INL) Test Area North (TAN) site. MMOs are thought to be the primary catalysts of natural attenuation of trichloroethylene (TCE) in contaminated groundwater at this location. The actual presence of the proteins making up MMO complexes would provide direct evidence for its participation in TCE degradation. The quantitative estimation of MMO genes and their translation products (sMMO and pMMO proteins) and the knowledge about kinetics and substrate specificity of MMOs will be used to develop mathematical models of the natural attenuation process in the TAN aquifer. The model will be particularly useful in prediction of TCE degradation rate in TAN and possibly in the other DOE sites. Bacteria known as methanotrophs produce a set of proteins that assemble to form methane monooxygenase complexes (MMOs), enzymes that oxidize methane as their natural substrate, thereby providing a carbon and energy source for the organisms. MMOs are also capable of co-metabolically transforming chlorinated solvents like TCE into nontoxic end products such as carbon dioxide and chloride. There are two known forms of methane monooxygenase, a membrane-bound particulate form (pMMO) and a cytoplasmic soluble form (sMMO). pMMO consists of two components, pMMOH (a hydroxylase comprised of 47-, 27-, and 24-kDa subunits) and pMMOR (a reductase comprised of 63 and 8-kDa subunits). sMMO consists of three components: a hydroxylase (protein A-250 kDa), a dimer of three subunits (α2β2γ2), a regulatory protein (protein B-15.8 kDa), and a reductase (protein C-38.6 kDa). All methanotrophs will produce a methanol dehydrogenase to channel the product of methane oxidation (methanol) into the central metabolite formaldehyde. University of Idaho (UI) efforts focused on proteomic analyses using mass

  4. Multiphase Flow Modeling of Biofuel Production Processes

    SciTech Connect (OSTI)

    D. Gaston; D. P. Guillen; J. Tester

    2011-06-01

    As part of the Idaho National Laboratory's (INL's) Secure Energy Initiative, the INL is performing research in areas that are vital to ensuring clean, secure energy supplies for the future. The INL Hybrid Energy Systems Testing (HYTEST) Laboratory is being established to develop and test hybrid energy systems with the principal objective to safeguard U.S. Energy Security by reducing dependence on foreign petroleum. HYTEST involves producing liquid fuels in a Hybrid Energy System (HES) by integrating carbon-based (i.e., bio-mass, oil-shale, etc.) with non-carbon based energy sources (i.e., wind energy, hydro, geothermal, nuclear, etc.). Advances in process development, control and modeling are the unifying vision for HES. This paper describes new modeling tools and methodologies to simulate advanced energy processes. Needs are emerging that require advanced computational modeling of multiphase reacting systems in the energy arena, driven by the 2007 Energy Independence and Security Act, which requires production of 36 billion gal/yr of biofuels by 2022, with 21 billion gal of this as advanced biofuels. Advanced biofuels derived from microalgal biomass have the potential to help achieve the 21 billion gal mandate, as well as reduce greenhouse gas emissions. Production of biofuels from microalgae is receiving considerable interest due to their potentially high oil yields (around 600 gal/acre). Microalgae have a high lipid content (up to 50%) and grow 10 to 100 times faster than terrestrial plants. The use of environmentally friendly alternatives to solvents and reagents commonly employed in reaction and phase separation processes is being explored. This is accomplished through the use of hydrothermal technologies, which are chemical and physical transformations in high-temperature (200-600 C), high-pressure (5-40 MPa) liquid or supercritical water. Figure 1 shows a simplified diagram of the production of biofuels from algae. Hydrothermal processing has significant

  5. Density-fitted singles and doubles coupled cluster on graphics processing units

    SciTech Connect (OSTI)

    Sherrill, David; Sumpter, Bobby G; DePrince, III, A. Eugene

    2014-01-01

    We adapt an algorithm for singles and doubles coupled cluster (CCSD) that uses density fitting (DF) or Cholesky decomposition (CD) in the construction and contraction of all electron repulsion integrals (ERI s) for use on heterogeneous compute nodes consisting of a multicore CPU and at least one graphics processing unit (GPU). The use of approximate 3-index ERI s ameliorates two of the major difficulties in designing scientific algorithms for GPU s: (i) the extremely limited global memory on the devices and (ii) the overhead associated with data motion across the PCI bus. For the benzene trimer described by an aug-cc-pVDZ basis set, the use of a single NVIDIA Tesla C2070 (Fermi) GPU accelerates a CD-CCSD computation by a factor of 2.1, relative to the multicore CPU-only algorithm that uses 6 highly efficient Intel core i7-3930K CPU cores. The use of two Fermis provides an acceleration of 2.89, which is comparable to that observed when using a single NVIDIA Kepler K20c GPU (2.73).

  6. Coupled escape probability for an asymmetric spherical case: Modeling optically thick comets

    SciTech Connect (OSTI)

    Gersch, Alan M.; A'Hearn, Michael F.

    2014-05-20

    We have adapted Coupled Escape Probability, a new exact method of solving radiative transfer problems, for use in asymmetrical spherical situations. Our model is intended specifically for use in modeling optically thick cometary comae, although not limited to such use. This method enables the accurate modeling of comets' spectra even in the potentially optically thick regions nearest the nucleus, such as those seen in Deep Impact observations of 9P/Tempel 1 and EPOXI observations of 103P/Hartley 2.

  7. Progress in coupling Land Ice and Ocean Models in the MPAS Framework

    Office of Scientific and Technical Information (OSTI)

    (Conference) | SciTech Connect Progress in coupling Land Ice and Ocean Models in the MPAS Framework Citation Details In-Document Search Title: Progress in coupling Land Ice and Ocean Models in the MPAS Framework Authors: Hoffman, Matthew J. [1] + Show Author Affiliations Los Alamos National Laboratory Publication Date: 2013-02-14 OSTI Identifier: 1063255 Report Number(s): LA-UR-13-20973 DOE Contract Number: AC52-06NA25396 Resource Type: Conference Resource Relation: Conference: Community

  8. Electron phonon coupling in Ni-based binary alloys with application to displacement cascade modeling

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Samolyuk, German D.; Stocks, George Malcolm; Stoller, Roger E.

    2016-04-01

    Energy transfer between lattice atoms and electrons is an important channel of energy dissipation during displacement cascade evolution in irradiated materials. On the assumption of small atomic displacements, the intensity of this transfer is controlled by the strength of electron–phonon (el–ph) coupling. The el–ph coupling in concentrated Ni-based alloys was calculated using electronic structure results obtained within the coherent potential approximation. It was found that Ni0.5Fe0.5, Ni0.5Co0.5 and Ni0.5Pd0.5 are ordered ferromagnetically, whereas Ni0.5Cr0.5 is nonmagnetic. Since the magnetism in these alloys has a Stoner-type origin, the magnetic ordering is accompanied by a decrease of electronic density of states atmore » the Fermi level, which in turn reduces the el–ph coupling. Thus, the el–ph coupling values for all alloys are approximately 50% smaller in the magnetic state than for the same alloy in a nonmagnetic state. As the temperature increases, the calculated coupling initially increases. After passing the Curie temperature, the coupling decreases. The rate of decrease is controlled by the shape of the density of states above the Fermi level. Introducing a two-temperature model based on these parameters in 10 keV molecular dynamics cascade simulation increases defect production by 10–20% in the alloys under consideration.« less

  9. Coupled Environmental Processes in the Mojave Desert and Implications for ET Covers as Stable Landforms

    SciTech Connect (OSTI)

    D. Shafer; M. Y oung; S. Zitzer; E. McDonald; T. Caldwell

    2006-01-18

    Monolayer evapotranspiration (ET) covers are the baseline method for closure of disposal sites for low-level radioactive waste (LLW), mixed LLW, and transuranic (TRU) waste at the Nevada Test Site (NTS). The regulatory timeline is typically 1,000 years for LLW and 10,000 years for TRU waste. Covers for such waste have different technical considerations than those with shorter timelines because they are subject to environmental change for longer periods of time, and because the environmental processes are often coupled. To evaluate these changes, four analog sites (approximately 30, 1,000 to 2,000, 7,000 to 12,500, and 125,000 years in age) on the NTS were analyzed to address the early post-institutional control period (the youngest site), the 1,000-year compliance period for disposal of LLW, and the 10,000-year period for TRU waste. Tests included soil texture, structure, and morphology; surface soil infiltration and hydraulic conductivity; vegetation and faunal surveys; and literature reviews. Separate measurements were made in plant undercanopy and intercanopy areas. The results showed a progressive increase in silt and clay content of surface soils with age. Changes in soil texture and structure led to a fivefold decline in saturated hydraulic conductivity in intercanopy areas, but no change in undercanopies, which were subject to bioturbation. These changes may have been responsible for the reduction in total plant cover, most dramatically in intercanopy areas, primarily because more precipitation either runs off the site or is held nearer to the surface where plant roots are less common. The results suggest that covers may evolve over longer timeframes to stable landforms that minimize the need for active maintenance.

  10. Running of the Yukawa Couplings in a Two Higgs Doublet Model

    SciTech Connect (OSTI)

    Montes de Oca Y, J. H.; Juarez W, S. R.; Kielanowski, P.

    2008-07-02

    We solve the one loop Renormalization Group Equations (RGE) for the Yukawa couplings in the Standard Model with two Higgs doublets. In the RGE we include the contributions of the up and down quarks. In this approximation we explore universality and unification assumptions to study the mass-hierarchy problem through the running of the vacuum expectation values.

  11. Capacitively Coupled Radio Frequency Discharge Plasmas In Hydrogen: Particle Modeling and Negative Ion Kinetics

    SciTech Connect (OSTI)

    Diomede, P.; Longo, S.; Capitelli, M.

    2005-05-16

    We present a 1D(r)2D(v) particle code for capacitively coupled radio frequency discharge plasmas in hydrogen, which includes a rigorous kinetic modeling of ion transport and several solutions to speed up the convergence. In a test case the effect of surface atom recombination and molecule vibrational deactivation on H- concentration is investigated.

  12. A Coupled Modeling System to Simulate Water Resources in the Rio Grande Basin

    SciTech Connect (OSTI)

    Bossert, J.E.; Breshears, D.D.; Campbell, K.; Costigan, K.R.; Greene, R.K.; Keating, E.H.; Kleifgen, L.M.; Langley, D.L.; Martens, S.N.; Sanderson, J.G.; Springer, E.P.; Stalker, J.R.; Tartakovsky, D.M.; Winter, C.L.; Zyvoloski, G.A.

    1999-01-11

    Limited availability of fresh water in arid and semi-arid regions of the world requires prudent management strategies from accurate, science-based assessments. These assessments demand a thorough understanding of the hydrologic cycle over long time periods within the individual water-sheds that comprise large river basins. Measurement and simulation of the hydrologic cycle is a tremendous challenge, involving a coupling between global to regional-scale atmospheric precipitation processes with regional to local-scale land surface and subsurface water transport. Los Alamos National Laboratory is developing a detailed modeling system of the hydrologic cycle and applying this tool at high resolution to assess the water balance within the upper Rio Grande river basin. The Rio Grande is a prime example of a river system in a semiarid environment, with a high demand from agricultural, industrial, recreational, and municipal interests for its water supply. Within this river basin, groundwater supplies often augment surface water. With increasing growth projected throughout the river basin, however, these multiple water users have the potential to significantly deplete groundwater resources, thereby increasing the dependence on surface water resources.

  13. Development of Fully Coupled Aeroelastic and Hydrodynamic Models for Offshore Wind Turbines: Preprint

    SciTech Connect (OSTI)

    Jonkman, J. M.; Sclavounos, P. D.

    2006-01-01

    Aeroelastic simulation tools are routinely used to design and analyze onshore wind turbines, in order to obtain cost effective machines that achieve favorable performance while maintaining structural integrity. These tools employ sophisticated models of wind-inflow; aerodynamic, gravitational, and inertial loading of the rotor, nacelle, and tower; elastic effects within and between components; and mechanical actuation and electrical responses of the generator and of control and protection systems. For offshore wind turbines, additional models of the hydrodynamic loading in regular and irregular seas, the dynamic coupling between the support platform motions and wind turbine motions, and the dynamic characterization of mooring systems for compliant floating platforms are also important. Hydrodynamic loading includes contributions from hydrostatics, wave radiation, and wave scattering, including free surface memory effects. The integration of all of these models into comprehensive simulation tools, capable of modeling the fully coupled aeroelastic and hydrodynamic responses of floating offshore wind turbines, is presented.

  14. Dynamical Coupled-Channel Model of Meson Production Reactions in the Nucleon Resonance Region

    SciTech Connect (OSTI)

    T.-S. H. Lee; A. Matsuyama; T. Sato

    2006-11-15

    A dynamical coupled-channel model is presented for investigating the nucleon resonances (N*) in the meson production reactions induced by pions and photons. Our objective is to extract the N* parameters and to investigate the meson production reaction mechanisms for mapping out the quark-gluon substructure of N* from the data. The model is based on an energy-independent Hamiltonian which is derived from a set of Lagrangians by using a unitary transformation method.

  15. The Madden-Julian oscillation in ECHAM4 coupled and uncoupled general circulation models

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Sperber, Kenneth R.; Gualdi, Silvio; Legutke, Stephanie; Gayler, Veronika

    2005-06-29

    The Madden-Julian oscillation (MJO) dominates tropical variability on timescales of 30–70 days. During the boreal winter/spring, it is manifested as an eastward propagating disturbance, with a strong convective signature over the eastern hemisphere. The space–time structure of the MJO is analyzed using simulations with the ECHAM4 atmospheric general circulation model run with observed monthly mean sea-surface temperatures (SSTs), and coupled to three different ocean models. The coherence of the eastward propagation of MJO convection is sensitive to the ocean model to which ECHAM4 is coupled. For ECHAM4/OPYC and ECHO-G, models for which ~100 years of daily data is available, Montemore » Carlo sampling indicates that their metrics of eastward propagation are different at the 1% significance level. The flux-adjusted coupled simulations, ECHAM4/OPYC and ECHO-G, maintain a more realistic mean-state, and have a more realistic MJO simulation than the nonadjusted scale interaction experiment (SINTEX) coupled runs. The SINTEX model exhibits a cold bias in Indian Ocean and tropical West Pacific Ocean sea-surface temperature of ~0.5°C. This cold bias affects the distribution of time-mean convection over the tropical eastern hemisphere. Furthermore, the eastward propagation of MJO convection in this model is not as coherent as in the two models that used flux adjustment or when compared to an integration of ECHAM4 with prescribed observed SST. This result suggests that simulating a realistic basic state is at least as important as air–sea interaction for organizing the MJO. While all of the coupled models simulate the warm (cold) SST anomalies that precede (succeed) the MJO convection, the interaction of the components of the net surface heat flux that lead to these anomalies are different over the Indian Ocean. The ECHAM4/OPYC model in which the atmospheric model is run at a horizontal resolution of T42, has eastward propagating zonal wind anomalies and latent heat

  16. STOIC: An Assessment of Coupled Model Climatology and Variability in Tropical Ocean Regions

    SciTech Connect (OSTI)

    Davey, M.K.; Sperber, K.R.; Huddleston, M

    2000-08-30

    The tropics are regions of strong ocean-atmosphere interaction on seasonal and interannual timescales, so a good representation of observed tropical behavior is a desirable objective for coupled ocean-atmosphere general circulation models (CGCMs). To broaden and update previous assessments (Mechoso et al. 1995, Neelin et al. 1992), two complementary projects were initiated by the CLIVAR Working Group on Seasonal to Interannual Prediction (WGSIP): the El Nino Simulation Intercomparison Project (ENSIP, by Mojib Latif) and STOIC (Study of Tropical Oceans In Coupled models). The aim was to compare models against observations to identify common weaknesses and strengths. Results from ENSIP concentrating on the equatorial Pacific have been described by Latif et al. (2000), hereafter ENSIP2000. A detailed report on STOIC is available via anonymous ftp at email.meto.gov.uk/pub/cr/ ''stoic'' and is summarized in Davey et al. (2000). The STOIC analyses extend beyond the equatorial Pacific, to examine behavior in all three tropical ocean regions.

  17. Double and single pion photoproduction within a dynamical coupled-channels model

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Hiroyuki Kamano; Julia-Diaz, Bruno; Lee, T. -S. H.; Matsuyama, Akihiko; Sato, Toru

    2009-12-16

    Within a dynamical coupled-channels model which has already been fixed from analyzing the data of the πN → πN and γN → πN reactions, we present the predicted double pion photoproduction cross sections up to the second resonance region, W < 1.7 GeV. The roles played by the different mechanisms within our model in determining both the single and double pion photoproduction reactions are analyzed, focusing on the effects due to the direct γN → ππN mechanism, the interplay between the resonant and non-resonant amplitudes, and the coupled-channels effects. As a result, the model parameters which can be determined mostmore » effectively in the combined studies of both the single and double pion photoproduction data are identified for future studies.« less

  18. Three-dimensional fully-coupled electrical and thermal transport model of dynamic switching in oxide memristors

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Gao, Xujiao; Mamaluy, Denis; Mickel, Patrick R.; Marinella, Matthew

    2015-09-08

    In this paper, we present a fully-coupled electrical and thermal transport model for oxide memristors that solves simultaneously the time-dependent continuity equations for all relevant carriers, together with the time-dependent heat equation including Joule heating sources. The model captures all the important processes that drive memristive switching and is applicable to simulate switching behavior in a wide range of oxide memristors. The model is applied to simulate the ON switching in a 3D filamentary TaOx memristor. Simulation results show that, for uniform vacancy density in the OFF state, vacancies fill in the conduction filament till saturation, and then fill outmore » a gap formed in the Ta electrode during ON switching; furthermore, ON-switching time strongly depends on applied voltage and the ON-to-OFF current ratio is sensitive to the filament vacancy density in the OFF state.« less

  19. Three-dimensional fully-coupled electrical and thermal transport model of dynamic switching in oxide memristors

    SciTech Connect (OSTI)

    Gao, Xujiao; Mamaluy, Denis; Mickel, Patrick R.; Marinella, Matthew

    2015-09-08

    In this paper, we present a fully-coupled electrical and thermal transport model for oxide memristors that solves simultaneously the time-dependent continuity equations for all relevant carriers, together with the time-dependent heat equation including Joule heating sources. The model captures all the important processes that drive memristive switching and is applicable to simulate switching behavior in a wide range of oxide memristors. The model is applied to simulate the ON switching in a 3D filamentary TaOx memristor. Simulation results show that, for uniform vacancy density in the OFF state, vacancies fill in the conduction filament till saturation, and then fill out a gap formed in the Ta electrode during ON switching; furthermore, ON-switching time strongly depends on applied voltage and the ON-to-OFF current ratio is sensitive to the filament vacancy density in the OFF state.

  20. TSPA Model Development and Sensitivity Analysis of Processes...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    TSPA Model Development and Sensitivity Analysis of Processes Affecting Performance of a Salt Repository for Disposal of Heat-Generating Nuclear Waste TSPA Model Development and ...

  1. Design Evaluation of Wind Turbine Spline Couplings Using an Analytical Model: Preprint

    SciTech Connect (OSTI)

    Guo, Y.; Keller, J.; Wallen, R.; Errichello, R.; Halse, C.; Lambert, S.

    2015-02-01

    Articulated splines are commonly used in the planetary stage of wind turbine gearboxes for transmitting the driving torque and improving load sharing. Direct measurement of spline loads and performance is extremely challenging because of limited accessibility. This paper presents an analytical model for the analysis of articulated spline coupling designs. For a given torque and shaft misalignment, this analytical model quickly yields insights into relationships between the spline design parameters and resulting loads; bending, contact, and shear stresses; and safety factors considering various heat treatment methods. Comparisons of this analytical model against previously published computational approaches are also presented.

  2. AlliedSignal capability maturity model assessment & improvement processes

    SciTech Connect (OSTI)

    Kuhn, C.

    1997-11-01

    This report contains viewgraphs on AlliedSignal capability maturity model assessment and improvement processes for software.

  3. Modeling of Geothermal Reservoirs: Fundamental Processes, Computer...

    Open Energy Info (EERE)

    of Geothermal Reservoirs: Fundamental Processes, Computer Simulation and Field Applications Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article:...

  4. AGU Chapman Conference Hydrogeologic Processes: Building and Testing Atomistic- to Basin-Scale Models

    SciTech Connect (OSTI)

    Weaver, B.

    1994-12-31

    This report presents details of the Chapman Conference given on June 6--9, 1994 in Lincoln, New Hampshire. This conference covered the scale of processes involved in coupled hydrogeologic mass transport and a concept of modeling and testing from the atomistic- to the basin- scale. Other topics include; the testing of fundamental atomic level parameterizations in the laboratory and field studies of fluid flow and mass transport and the next generation of hydrogeologic models. Individual papers from this conference are processed separately for the database.

  5. Stability of the Zagreb realization of the Carnegie-Mellon-Berkeley coupled-channels unitary model

    SciTech Connect (OSTI)

    Osmanovic, H.; Hadzimehmedovic, M.; Stahov, J.; Ceci, S.; Svarc, A.

    2011-09-15

    In Hadzimehmedovicet al.[Phys. Rev. C 84, 035204 (2011)] we have used the Zagreb realization of Carnegie-Melon-Berkeley coupled-channel, unitary model as a tool for extracting pole positions from the world collection of partial-wave data, with the aim of eliminating model dependence in pole-search procedures. In order that the method is sensible, we in this paper discuss the stability of the method with respect to the strong variation of different model ingredients. We show that the Zagreb CMB procedure is very stable with strong variation of the model assumptions and that it can reliably predict the pole positions of the fitted partial-wave amplitudes.

  6. Scalable Nonlinear Solvers for Fully Implicit Coupled Nuclear Fuel Modeling. Final Report

    SciTech Connect (OSTI)

    Cai, Xiao-Chuan; Keyes, David; Yang, Chao; Zheng, Xiang; Pernice, Michael

    2014-09-29

    The focus of the project is on the development and customization of some highly scalable domain decomposition based preconditioning techniques for the numerical solution of nonlinear, coupled systems of partial differential equations (PDEs) arising from nuclear fuel simulations. These high-order PDEs represent multiple interacting physical fields (for example, heat conduction, oxygen transport, solid deformation), each is modeled by a certain type of Cahn-Hilliard and/or Allen-Cahn equations. Most existing approaches involve a careful splitting of the fields and the use of field-by-field iterations to obtain a solution of the coupled problem. Such approaches have many advantages such as ease of implementation since only single field solvers are needed, but also exhibit disadvantages. For example, certain nonlinear interactions between the fields may not be fully captured, and for unsteady problems, stable time integration schemes are difficult to design. In addition, when implemented on large scale parallel computers, the sequential nature of the field-by-field iterations substantially reduces the parallel efficiency. To overcome the disadvantages, fully coupled approaches have been investigated in order to obtain full physics simulations.

  7. Modeling of thermally driven hydrological processes in partially saturated fractured rock

    SciTech Connect (OSTI)

    Tsang, Yvonne; Birkholzer, Jens; Mukhopadhyay, Sumit

    2009-03-15

    This paper is a review of the research that led to an in-depth understanding of flow and transport processes under strong heat stimulation in fractured, porous rock. It first describes the anticipated multiple processes that come into play in a partially saturated, fractured porous volcanic tuff geological formation, when it is subject to a heat source such as that originating from the decay of radionuclides. The rationale is then given for numerical modeling being a key element in the study of multiple processes that are coupled. The paper outlines how the conceptualization and the numerical modeling of the problem evolved, progressing from the simplified to the more realistic. Examples of numerical models are presented so as to illustrate the advancement and maturation of the research over the last two decades. The most recent model applied to in situ field thermal tests is characterized by (1) incorporation of a full set of thermal-hydrological processes into a numerical simulator, (2) realistic representation of the field test geometry, in three dimensions, and (3) use of site-specific characterization data for model inputs. Model predictions were carried out prior to initiation of data collection, and the model results were compared to diverse sets of measurements. The approach of close integration between modeling and field measurements has yielded a better understanding of how coupled thermal hydrological processes produce redistribution of moisture within the rock, which affects local permeability values and subsequently the flow of liquid and gases. The fluid flow in turn will change the temperature field. We end with a note on future research opportunities, specifically those incorporating chemical, mechanical, and microbiological factors into the study of thermal and hydrological processes.

  8. Coupled In-Rock and In-Drift Hydrothermal Model Stuudy For Yucca Mountain

    SciTech Connect (OSTI)

    G. Danko; J. Birkholzer; D. Bahrami

    2006-12-18

    A thermal-hydrologic-natural-ventilation model is configured for simulating temperature, humidity, and condensate distributions in the coupled domains of the in-drift airspace and the near-field rockmass in the proposed Yucca Mountain repository. The multi-physics problem is solved with MULTIFLUX in which a lumped-parameter computational fluid dynamics model is iterated with TOUGH2. The solution includes natural convection, conduction, and radiation for heat as well as moisture convection and diffusion for moisture transport with half waste package scale details in the drift, and mountain-scale heat and moisture transport in the porous and fractured rock-mass. The method provides fast convergence on a personal computer computational platform. Numerical examples and comparison with a TOUGH2 based, integrated model are presented.

  9. Coupled Mechanical-Electrochemical-Thermal Modeling for Accelerated Design of EV Batteries; NREL (National Renewable Energy Laboratory)

    SciTech Connect (OSTI)

    Pesaran, Ahmad; Zhang, Chao; Kim, Gi-heon; Santhanagopalan, Shriram

    2015-06-10

    The physical and chemical phenomena occurring in a battery are many and complex and in many different scales. Without a better knowledge of the interplay among the multi-physics occurring across the varied scales, it is very challenging and time consuming to design long-lasting, high-performing, safe, affordable large battery systems, enabling electrification of the vehicles and modernization of the grid. The National Renewable Energy Laboratory, a U.S. Department of Energy laboratory, has been developing thermal and electrochemical models for cells and battery packs. Working with software producers, carmakers, and battery developers, computer-aided engineering tools have been developed that can accelerate the electrochemical and thermal design of batteries, reducing time to develop and optimize them and thus reducing the cost of the system. In the past couple of years, we initiated a project to model the mechanical response of batteries to stress, strain, fracture, deformation, puncture, and crush and then link them to electrochemical and thermal models to predict the response of a battery. This modeling is particularly important for understanding the physics and processes that happen in a battery during a crush-inducing vehicle crash. In this paper, we provide an overview of electrochemical-thermal-mechanical models for battery system understanding and designing.

  10. Mode Coupling and the Pygmy Dipole Resonance in a Relativistic Two-Phonon Model

    SciTech Connect (OSTI)

    Litvinova, Elena; Ring, Peter; Tselyaev, Victor

    2010-07-09

    A new class of many-body models, based on covariant density functional theory for excited states, is presented. It allows a parameter free description of the fragmentation of nuclear states induced by mode coupling of two-quasiparticle and two-phonon configurations. As compared to earlier methods it provides a consistent and parameter free theory of the fine structure of nuclear resonances. The method is applied very successfully to investigate the newly discovered low-lying dipole excitations in Sn and Ni isotopes with large neutron excess.

  11. Continuous Evaluation of Fast Processes in Climate Models Using ARM

    Office of Scientific and Technical Information (OSTI)

    Measurements (Technical Report) | SciTech Connect Continuous Evaluation of Fast Processes in Climate Models Using ARM Measurements Citation Details In-Document Search Title: Continuous Evaluation of Fast Processes in Climate Models Using ARM Measurements This five-year award supports the project "Continuous Evaluation of Fast Processes in Climate Models Using ARM Measurements (FASTER)". The goal of this project is to produce accurate, consistent and comprehensive data sets for

  12. Advances in coupled safety modeling using systems analysis and high-fidelity methods.

    SciTech Connect (OSTI)

    Fanning, T. H.; Thomas, J. W.; Nuclear Engineering Division

    2010-05-31

    The potential for a sodium-cooled fast reactor to survive severe accident initiators with no damage has been demonstrated through whole-plant testing in EBR-II and FFTF. Analysis of the observed natural protective mechanisms suggests that they would be characteristic of a broad range of sodium-cooled fast reactors utilizing metal fuel. However, in order to demonstrate the degree to which new, advanced sodium-cooled fast reactor designs will possess these desired safety features, accurate, high-fidelity, whole-plant dynamics safety simulations will be required. One of the objectives of the advanced safety-modeling component of the Reactor IPSC is to develop a science-based advanced safety simulation capability by utilizing existing safety simulation tools coupled with emerging high-fidelity modeling capabilities in a multi-resolution approach. As part of this integration, an existing whole-plant systems analysis code has been coupled with a high-fidelity computational fluid dynamics code to assess the impact of high-fidelity simulations on safety-related performance. With the coupled capabilities, it is possible to identify critical safety-related phenomenon in advanced reactor designs that cannot be resolved with existing tools. In this report, the impact of coupling is demonstrated by evaluating the conditions of outlet plenum thermal stratification during a protected loss of flow transient. Outlet plenum stratification was anticipated to alter core temperatures and flows predicted during natural circulation conditions. This effect was observed during the simulations. What was not anticipated, however, is the far-reaching impact that resolving thermal stratification has on the whole plant. The high temperatures predicted at the IHX inlet due to thermal stratification in the outlet plenum forces heat into the intermediate system to the point that it eventually becomes a source of heat for the primary system. The results also suggest that flow stagnation in the

  13. Modeling of microcrystalline silicon film deposition in a capacitively coupled radio-frequency plasma reactor

    SciTech Connect (OSTI)

    Satake, Koji; Kobayashi, Yasuyuki

    2005-01-15

    We present a numerical model of plasma-enhanced chemical-vapor deposition of hydrogenated microcrystalline silicon ({mu}c-Si:H) film from SiH{sub 4} and H{sub 2} gas mixtures in a capacitively coupled radio-frequency plasma reactor. The model takes into account electron-impact, gas-phase, and surface reactions within a well-mixed reactor model. Plasma parameters such as the electron density, the electron temperature, and the electron-impact reaction rates are determined through a discharge model and used as inputs for the reactor model. The gas-phase reactions include electron-impact and neutral-neutral reactions. Some of the surface reaction rates are determined using quantum chemical calculations and transition state theory. In the reactor model, concentrations of each chemical species are calculated at steady state using mass conservation equation uniformed throughout the reactor. Numerical results of the deposition rate as a function of the plasma reactor operating parameters show good agreement with experiments. Based on the model, the correlation between {mu}c-Si:H properties, such as the crystal grain orientation and the hydrogen content, and deposition operating parameters has been studied using a design of experiment. Finally, optimal operating parameters are investigated using optimization techniques.

  14. Modified Invasion Percolation Models for Multiphase Processes

    SciTech Connect (OSTI)

    Karpyn, Zuleima

    2015-01-31

    This project extends current understanding and modeling capabilities of pore-scale multiphase flow physics in porous media. High-resolution X-ray computed tomography imaging experiments are used to investigate structural and surface properties of the medium that influence immiscible displacement. Using experimental and computational tools, we investigate the impact of wetting characteristics, as well as radial and axial loading conditions, on the development of percolation pathways, residual phase trapping and fluid-fluid interfacial areas.

  15. Accuracy and Efficiency of a Coupled Neutronics and Thermal Hydraulics Model

    SciTech Connect (OSTI)

    Vincent A. Mousseau; Michael A. Pope

    2007-09-01

    The accuracy requirements for modern nuclear reactor simulation are steadily increasing due to the cost and regulation of relevant experimental facilities. Because of the increase in the cost of experiments and the decrease in the cost of simulation, simulation will play a much larger role in the design and licensing of new nuclear reactors. Fortunately as the work load of simulation increases, there are better physics models, new numerical techniques, and more powerful computer hardware that will enable modern simulation codes to handle the larger workload. This manuscript will discuss a numerical method where the six equations of two-phase flow, the solid conduction equations, and the two equations that describe neutron diffusion and precursor concentration are solved together in a tightly coupled, nonlinear fashion for a simplified model of a nuclear reactor core. This approach has two important advantages. The first advantage is a higher level of accuracy. Because the equations are solved together in a single nonlinear system, the solution is more accurate than the traditional operator split approach where the two-phase flow equations are solved first, the heat conduction is solved second and the neutron diffusion is solved third, limiting the temporal accuracy to 1st order because the nonlinear coupling between the physics is handled explicitly. The second advantage of the method described in this manuscript is that the time step control in the fully implicit system can be based on the timescale of the solution rather than a stability-based time step restriction like the material Courant. Results are presented from a simulated control rod movement and a rod ejection that address temporal accuracy for the fully coupled solution and demonstrate how the fastest timescale of the problem can change between the state variables of neutronics, conduction and two-phase flow during the course of a transient.

  16. Accuracy and Efficiency of a Coupled Neutronics and Thermal Hydraulics Model

    SciTech Connect (OSTI)

    Michael A. Pope; Vincent A. Mousseau

    2009-09-01

    The accuracy requirements for modern nuclear reactor simulation are steadily increasing due to the cost and regulation of relevant experimental facilities. Because of the increase in the cost of experiments and the decrease in the cost of simulation, simulation will play a much larger role in the design and licensing of new nuclear reactors. Fortunately as the work load of simulation increases, there are better physics models, new numerical techniques, and more powerful computer hardware that will enable modern simulation codes to handle this larger workload. This manuscript will discuss a numerical method where the six equations of two-phase flow, the solid conduction equations, and the two equations that describe neutron diffusion and precursor concentration are solved together in a tightly coupled, nonlinear fashion for a simplified model of a nuclear reactor core. This approach has two important advantages. The first advantage is a higher level of accuracy. Because the equations are solved together in a single nonlinear system, the solution is more accurate than the traditional operator split approach where the two-phase flow equations are solved first, the heat conduction is solved second and the neutron diffusion is solved third, limiting the temporal accuracy to 1st order because the nonlinear coupling between the physics is handled explicitly. The second advantage of the method described in this manuscript is that the time step control in the fully implicit system can be based on the timescale of the solution rather than a stability-based time step restriction like the material Courant. Results are presented from a simulated control rod movement and a rod ejection that address temporal accuracy for the fully coupled solution and demonstrate how the fastest timescale of the problem can change between the state variables of neutronics, conduction and two-phase flow during the course of a transient.

  17. Coupling of an average-atom model with a collisional-radiative equilibrium model

    SciTech Connect (OSTI)

    Faussurier, G. Blancard, C.; Cossé, P.

    2014-11-15

    We present a method to combine a collisional-radiative equilibrium model and an average-atom model to calculate bound and free electron wavefunctions in hot dense plasmas by taking into account screening. This approach allows us to calculate electrical resistivity and thermal conductivity as well as pressure in non local thermodynamic equilibrium plasmas. Illustrations of the method are presented for dilute titanium plasma.

  18. Intelligent Object-Oriented GIS Engine W/dynamic Coupling to Modeled Objects

    Energy Science and Technology Software Center (OSTI)

    1997-02-12

    The GEOVIEWER is an intelligent object-oriented Geographic Information System (GIS) engine that provides not only a spatially-optimized object representation, but also direct linkage to the underlying object, its data and behaviors. Tools are incorporated to perform tasks involving typical GIS functionality, data ingestion, linkage to external models, and integration with other application frameworks. The GOEVIEWER module was designed to provide GIS functionality to create, query, view, and manipulate software objects within a selected area undermore » investigation in a simulation system. Many of these objects are not stored in a format conductive to efficient GIS usage. Their dynamic nature, complexity, and the sheer number of possible entity classes preclude effective integration with traditional GIS technologies due to the loosely coupled nature of their data representations. The primary difference between GEOVIEWER and standard GIS packages is that standard GIS packages offer static views of geospatial data while GEOVIEWER can be dynamically coupled to models and/or applications producing data and, therefore, display changes in geometry, attributes or behavior as they occur in the simulation.« less

  19. On the possibility of the multiple inductively coupled plasma and helicon plasma sources for large-area processes

    SciTech Connect (OSTI)

    Lee, Jin-Won; Lee, Yun-Seong Chang, Hong-Young; An, Sang-Hyuk

    2014-08-15

    In this study, we attempted to determine the possibility of multiple inductively coupled plasma (ICP) and helicon plasma sources for large-area processes. Experiments were performed with the one and two coils to measure plasma and electrical parameters, and a circuit simulation was performed to measure the current at each coil in the 2-coil experiment. Based on the result, we could determine the possibility of multiple ICP sources due to a direct change of impedance due to current and saturation of impedance due to the skin-depth effect. However, a helicon plasma source is difficult to adapt to the multiple sources due to the consistent change of real impedance due to mode transition and the low uniformity of the B-field confinement. As a result, it is expected that ICP can be adapted to multiple sources for large-area processes.

  20. Successful N{sub 2} leptogenesis with flavour coupling effects in realistic unified models

    SciTech Connect (OSTI)

    Bari, Pasquale Di; King, Stephen F.

    2015-10-02

    In realistic unified models involving so-called SO(10)-inspired patterns of Dirac and heavy right-handed (RH) neutrino masses, the lightest right-handed neutrino N{sub 1} is too light to yield successful thermal leptogenesis, barring highly fine tuned solutions, while the second heaviest right-handed neutrino N{sub 2} is typically in the correct mass range. We show that flavour coupling effects in the Boltzmann equations may be crucial to the success of such N{sub 2} dominated leptogenesis, by helping to ensure that the flavour asymmetries produced at the N{sub 2} scale survive N{sub 1} washout. To illustrate these effects we focus on N{sub 2} dominated leptogenesis in an existing model, the A to Z of flavour with Pati-Salam, where the neutrino Dirac mass matrix may be equal to an up-type quark mass matrix and has a particular constrained structure. The numerical results, supported by analytical insight, show that in order to achieve successful N{sub 2} leptogenesis, consistent with neutrino phenomenology, requires a “flavour swap scenario” together with a less hierarchical pattern of RH neutrino masses than naively expected, at the expense of some mild fine-tuning. In the considered A to Z model neutrino masses are predicted to be normal ordered, with an atmospheric neutrino mixing angle well into the second octant and the Dirac phase δ≃20{sup ∘}, a set of predictions that will be tested in the next years in neutrino oscillation experiments. Flavour coupling effects may be relevant for other SO(10)-inspired unified models where N{sub 2} leptogenesis is necessary.

  1. TWRS systems engineering process and information model report

    SciTech Connect (OSTI)

    Gneiting, B.C., Westinghouse Hanford

    1996-05-22

    The TWRS System Engineering (SE) process and information flows are described using a process modeling methodology. The results of this activity, and the next phase of developing a normalized data model, will be used in training and implemented in SE information systems and support tools.

  2. Measurement and modeling of advanced coal conversion processes

    SciTech Connect (OSTI)

    Solomon, P.R.; Serio, M.A.; Hamblen, D.G. ); Smoot, L.D.; Brewster, B.S. )

    1991-01-01

    The objective of this study are to establish the mechanisms and rates of basic steps in coal conversion processes, to integrate and incorporate this information into comprehensive computer models for coal conversion processes, to evaluate these models and to apply them to gasification, mild gasification and combustion in heat engines.

  3. Measurement and modeling of advanced coal conversion processes

    SciTech Connect (OSTI)

    Solomon, P.R.; Serio, M.A.; Hamblen, D.G. ); Smoot, L.D.; Brewster, B.S. )

    1991-09-25

    The objectives of this study are to establish the mechanisms and rates of basic steps in coal conversion processes, to integrate and incorporate this information into comprehensive computer models for coal conversion processes, to evaluate these models and to apply them to gasification, mild gasification and combustion in heat engines. (VC)

  4. Investigation of Coupled Processes and Impact of High Temperature Limits in Argillite Rock

    SciTech Connect (OSTI)

    Zheng, Liange; Rutqvist, Jonny; Kim, Kunhwi; Houseworth, Jim

    2015-07-01

    The focus of research within the UFD Campaign is on repository-induced interactions that may affect the key safety characteristics of an argillaceous rock. These include thermal-hydrological-mechanical-chemical (THMC) process interactions that occur as a result of repository construction and waste emplacement. Some of the key questions addressed in this report include the development of fracturing in the excavation damaged zone (EDZ) and THMC effects on the near-field argillaceous rock and buffer minerals and petrophysical characteristics, particularly the impacts of induced temperature rise caused by waste heat.

  5. Coupling a Genome-Scale Metabolic Model with a Reactive Transport Model to Describe In Situ Uranium Bioremediation

    SciTech Connect (OSTI)

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

    2009-03-01

    Quantitative numerical simulation codes known as reactive transport models are widely used for simulating the hydrologic transport and geochemical speciation of dissolved constituents in the subsurface (Steefel et al., 2005). Because the activity of microorganisms strongly influences the fate of many constituents, both organic and inorganic, such models often include microbially-mediated reactions in their reaction networks (Hunter et al., 1998; Burgos et al., 2002; Fang et al., 2006; Scheibe et al., 2006; Yabusaki et al., 2007). However, the canonical form and stoichiometry of microbial reactions, reaction rate formulations and parameters, and biomass growth yield coefficients are prescribed a priori and applied over the entire range of simulated conditions. This approach does not account for the fact that fundamental microbial functions vary in response to local variations in environmental conditions(Stewart and Franklin, 2008). Multiple alternative reaction pathways are encoded in microbial genomes; specific pathways become active or inactive in response to, for example, nutrient limitation. Recent advances in genomic analysis allow us to define cellular metabolic networks, and accurate predictions of active pathways and reaction fluxes have been made using constraint-based metabolic models (Mahadevan et al., 2002; Price et al., 2003; Reed and Palsson, 2003; Mahadevan et al., 2006). Here, we demonstrate for the first time a methodology of coupling constraint-based metabolic models with reactive transport models. Our approach integrates advanced microbiological characterization, hydrology, and geochemistry in a powerful manner that will significantly improve subsurface reactive transport models.

  6. Restore: Modeling Repair and Restoration Processes | Argonne National

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Laboratory Restore: Modeling Repair and Restoration Processes Restore: Modeling Repair and Restoration Processes Argonne's Restore software models complex sets of steps required to accomplish a goal, such as repairing a ruptured natural gas pipeline, when the time required to complete a step may be uncertain. For example, external conditions (i.e., the time of day, weather, and availability of crew) may affect one or more of the steps required to accomplish a goal. Therefore,

  7. Extending the Range of Organic Compounds that Can Be Destroyed Using the Process of Adsorption Coupled with Electrochemical Regeneration - 13054

    SciTech Connect (OSTI)

    Brown, Nigel; Lodge, Mike; Hilton, Linda; Adams, Alex [Arvia Technology Ltd, Sci-Tech Daresbury, Keckwick Lane, Daresbury, Cheshire, WA4, 4FS (United Kingdom)] [Arvia Technology Ltd, Sci-Tech Daresbury, Keckwick Lane, Daresbury, Cheshire, WA4, 4FS (United Kingdom); Vaudey, Claire-Emilie [AREVA CL BU, AREVA BUA STMI ZAC de Courcelle 1 route de la Noue 91196 Gif-sur-Yvette (France)] [AREVA CL BU, AREVA BUA STMI ZAC de Courcelle 1 route de la Noue 91196 Gif-sur-Yvette (France); Toulemonde, Valerie [AREVA DRD, Tour AREVA, 1, place Jean Millier, 92084 Paris La Defense Cedex (France)] [AREVA DRD, Tour AREVA, 1, place Jean Millier, 92084 Paris La Defense Cedex (France)

    2013-07-01

    The nuclear industry is not a provider of oils and solvents but uses them in motors, equipment and even in chemical processes to extract valuable products. Currently, for old and contaminated oils and solvents, techniques still exist, such as incineration, but not all the oils and solvents are compatible with this technique because the activities of some components inside the oils are too high to be accepted at the incineration facility. For these oils, an alternative technique needs to be found for treatment. A process developed for water treatment using a technique of adsorption coupled with electrochemical regeneration has been investigated to assess its capability to treat these organic wastes. One of the strengths of the process is its flexibility and adaptation to different compositions of oils. This point is important because, in the AREVA case, there are a lot of small volumes of old oils which need to be re-characterized. It takes time and money to do it especially when oils are contaminated; this is one reason why the technique is interesting to investigate. Tests have been performed with different oils coming from different sites to test the feasibility. Results demonstrate the destruction of a range of organics with regeneration energy requirements of 13.4 - 68.7 kWh/l and offer confidence for the future potential of the process. (authors)

  8. On the connection between continental-scale land surface processes and the tropical climate in a coupled ocean-atmosphere-land system

    SciTech Connect (OSTI)

    Ma, Hsi-Yen; Mechoso, C. R.; Xue, Yongkang; Xiao, Heng; Neelin, David; Ji, Xuan

    2013-11-15

    The impact of global tropical climate to perturbations in land surface processes (LSP) are evaluated using perturbations given by different LSP representations of continental-scale in a global climate model that includes atmosphere-ocean interactions. One representation is a simple land scheme, which specifies climatological albedos and soil moisture availability. The other representation is the more comprehensive Simplified Simple Biosphere Model, which allows for interactive soil moisture and vegetation biophysical processes. The results demonstrate that LSP processes such as interactive soil moisture and vegetation biophysical processes have strong impacts on the seasonal mean states and seasonal cycles of global precipitation, clouds, and surface air temperature. The impact is especially significant over the tropical Pacific. To explore the mechanisms for such impact, different LSP representations are confined to selected continental-scale regions where strong interactions of climate-vegetation biophysical processes are present. We find that the largest impact is mainly from LSP perturbations over the tropical African continent. The impact is through anomalous convective heating in tropical Africa due to changes in the surface heat fluxes, which in turn affect basinwide teleconnections in the Pacific through equatorial wave dynamics. The modifications in the equatorial Pacific climate are further enhanced by strong air-sea coupling between surface wind stress and upwelling, as well as effect of ocean memory. Our results further suggest that correct representations of land surface processes, land use change and the associated changes in the deep convection over tropical Africa are crucial to reducing the uncertainty when performing future climate projections under different climate change scenarios.

  9. Studies of regional-scale climate variability and change. Hidden Markov models and coupled ocean-atmosphere modes

    SciTech Connect (OSTI)

    Ghil, M.; Kravtsov, S.; Robertson, A. W.; Smyth, P.

    2008-10-14

    This project was a continuation of previous work under DOE CCPP funding, in which we had developed a twin approach of probabilistic network (PN) models (sometimes called dynamic Bayesian networks) and intermediate-complexity coupled ocean-atmosphere models (ICMs) to identify the predictable modes of climate variability and to investigate their impacts on the regional scale. We had developed a family of PNs (similar to Hidden Markov Models) to simulate historical records of daily rainfall, and used them to downscale GCM seasonal predictions. Using an idealized atmospheric model, we had established a novel mechanism through which ocean-induced sea-surface temperature (SST) anomalies might influence large-scale atmospheric circulation patterns on interannual and longer time scales; we had found similar patterns in a hybrid coupled ocean-atmosphere-sea-ice model. The goal of the this continuation project was to build on these ICM results and PN model development to address prediction of rainfall and temperature statistics at the local scale, associated with global climate variability and change, and to investigate the impact of the latter on coupled ocean-atmosphere modes. Our main results from the grant consist of extensive further development of the hidden Markov models for rainfall simulation and downscaling together with the development of associated software; new intermediate coupled models; a new methodology of inverse modeling for linking ICMs with observations and GCM results; and, observational studies of decadal and multi-decadal natural climate results, informed by ICM results.

  10. Process-based modeling of the aeloian environment at the dune scale

    SciTech Connect (OSTI)

    Stam, J.M.T. )

    1993-09-01

    Process-based models are quantitative models that simulate the physical process of sedimentation with the objective of reconstructing the spatial distribution, stratification, and properties of the subsurface. In this study, a two-dimensional, process-based model of the aeolian environment, at the dune-interdune scale, has been developed. Sedimentation is governed by the variation of wind velocity over the topography, which is calculated analytically. Velocity calculations are coupled to a sediment transport equation, to determine where erosion and deposition occur. The resulting change in topography determines a new velocity field, which is then calculated. Features that the model simulates include ripple formation and dune migration, as well as the resulting internal sedimentary structures. Process-based models can be used as tool to help interpret structures in ancient formations. This model has been applied specifically to reconstruct dune-interdune sequences observed in cores from the Rotliegendes, localized in the southern Permian basin (North Sea). The interdune strata are characterized by a low permeability. A flow simulation has been done on the aeolian section generated by the model, showing the effect of these heterogeneities on fluid flow.

  11. Future changes in regional precipitation simulated by a half-degree coupled climate model: Sensitivity to horizontal resolution

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Shields, Christine A.; Kiehl, Jeffrey T.; Meehl, Gerald A.

    2016-06-02

    The global fully coupled half-degree Community Climate System Model Version 4 (CCSM4) was integrated for a suite of climate change ensemble simulations including five historical runs, five Representative Concentration Pathway 8.5 [RCP8.5) runs, and a long Pre-Industrial control run. This study focuses on precipitation at regional scales and its sensitivity to horizontal resolution. The half-degree historical CCSM4 simulations are compared to observations, where relevant, and to the standard 1° CCSM4. Both the halfdegree and 1° resolutions are coupled to a nominal 1° ocean. North American and South Asian/Indian monsoon regimes are highlighted because these regimes demonstrate improvements due to highermore » resolution, primarily because of better-resolved topography. Agriculturally sensitive areas are analyzed and include Southwest, Central, and Southeast U.S., Southern Europe, and Australia. Both mean and extreme precipitation is discussed for convective and large-scale precipitation processes. Convective precipitation tends to decrease with increasing resolution and large-scale precipitation tends to increase. Improvements for the half-degree agricultural regions can be found for mean and extreme precipitation in the Southeast U.S., Southern Europe, and Australian regions. Climate change responses differ between the model resolutions for the U.S. Southwest/Central regions and are seasonally dependent in the Southeast and Australian regions. Both resolutions project a clear drying signal across Southern Europe due to increased greenhouse warming. As a result, differences between resolutions tied to the representation of convective and large-scale precipitation play an important role in the character of the climate change and depend on regional influences.« less

  12. Testing and Modeling of a 3-MW Wind Turbine Using Fully Coupled Simulation Codes (Poster)

    SciTech Connect (OSTI)

    LaCava, W.; Guo, Y.; Van Dam, J.; Bergua, R.; Casanovas, C.; Cugat, C.

    2012-06-01

    This poster describes the NREL/Alstom Wind testing and model verification of the Alstom 3-MW wind turbine located at NREL's National Wind Technology Center. NREL,in collaboration with ALSTOM Wind, is studying a 3-MW wind turbine installed at the National Wind Technology Center(NWTC). The project analyzes the turbine design using a state-of-the-art simulation code validated with detailed test data. This poster describes the testing and the model validation effort, and provides conclusions about the performance of the unique drive train configuration used in this wind turbine. The 3-MW machine has been operating at the NWTC since March 2011, and drive train measurements will be collected through the spring of 2012. The NWTC testing site has particularly turbulent wind patterns that allow for the measurement of large transient loads and the resulting turbine response. This poster describes the 3-MW turbine test project, the instrumentation installed, and the load cases captured. The design of a reliable wind turbine drive train increasingly relies on the use of advanced simulation to predict structural responses in a varying wind field. This poster presents a fully coupled, aero-elastic and dynamic model of the wind turbine. It also shows the methodology used to validate the model, including the use of measured tower modes, model-to-model comparisons of the power curve, and mainshaft bending predictions for various load cases. The drivetrain is designed to only transmit torque to the gearbox, eliminating non-torque moments that are known to cause gear misalignment. Preliminary results show that the drivetrain is able to divert bending loads in extreme loading cases, and that a significantly smaller bending moment is induced on the mainshaft compared to a three-point mounting design.

  13. Systematic parameter estimation and sensitivity analysis using a multidimensional PEMFC model coupled with DAKOTA.

    SciTech Connect (OSTI)

    Wang, Chao Yang; Luo, Gang; Jiang, Fangming; Carnes, Brian; Chen, Ken Shuang

    2010-05-01

    Current computational models for proton exchange membrane fuel cells (PEMFCs) include a large number of parameters such as boundary conditions, material properties, and numerous parameters used in sub-models for membrane transport, two-phase flow and electrochemistry. In order to successfully use a computational PEMFC model in design and optimization, it is important to identify critical parameters under a wide variety of operating conditions, such as relative humidity, current load, temperature, etc. Moreover, when experimental data is available in the form of polarization curves or local distribution of current and reactant/product species (e.g., O2, H2O concentrations), critical parameters can be estimated in order to enable the model to better fit the data. Sensitivity analysis and parameter estimation are typically performed using manual adjustment of parameters, which is also common in parameter studies. We present work to demonstrate a systematic approach based on using a widely available toolkit developed at Sandia called DAKOTA that supports many kinds of design studies, such as sensitivity analysis as well as optimization and uncertainty quantification. In the present work, we couple a multidimensional PEMFC model (which is being developed, tested and later validated in a joint effort by a team from Penn State Univ. and Sandia National Laboratories) with DAKOTA through the mapping of model parameters to system responses. Using this interface, we demonstrate the efficiency of performing simple parameter studies as well as identifying critical parameters using sensitivity analysis. Finally, we show examples of optimization and parameter estimation using the automated capability in DAKOTA.

  14. Close-coupled Catalytic Two-Stage Liquefaction (CTSL{trademark}) process bench studies. Final report, [October 1, 1988--July 31, 1993

    SciTech Connect (OSTI)

    Comolli, A.G.; Johanson, E.S.; Karolkiewicz, W.F.; Lee, L.K.; Popper, G.A.; Stalzer, R.H.; Smith, T.O.

    1993-06-01

    This is the final report of a four year and ten month contract starting on October 1, 1988 to July 31, 1993 with the US Department of Energy to study and improve Close-Coupled Catalytic Two-Stage Direct Liquefaction of coal by producing high yields of distillate with improved quality at lower capital and production costs in comparison to existing technologies. Laboratory, Bench and PDU scale studies on sub-bituminous and bituminous coals are summarized and referenced in this volume. Details are presented in the three topical reports of this contract; CTSL Process Bench Studies and PDU Scale-Up with Sub-Bituminous Coal-DE-88818-TOP-1, CTSL Process Bench Studies with Bituminous Coal-DE-88818-TOP-2, and CTSL Process Laboratory Scale Studies, Modelling and Technical Assessment-DE-88818-TOP-3. Results are summarized on experiments and studies covering several process configurations, cleaned coals, solid separation methods, additives and catalysts both dispersed and supported. Laboratory microautoclave scale experiments, economic analysis and modelling studies are also included along with the PDU-Scale-Up of the CTSL processing of sub-bituminous Black Thunder Mine Wyoming coal. During this DOE/HRI effort, high distillate yields were maintained at higher throughput rates while quality was markedly improved using on-line hydrotreating and cleaned coals. Solid separations options of filtration and delayed coking were evaluated on a Bench-Scale with filtration successfully scaled to a PDU demonstration. Directions for future direct coal liquefaction related work are outlined herein based on the results from this and previous programs.

  15. Experimental investigation and modeling of a direct-coupled PV/T air collector

    SciTech Connect (OSTI)

    Shahsavar, A.; Ameri, M.

    2010-11-15

    Photovoltaic/thermal (PV/T) systems refer to the integration of photovoltaic and solar thermal technologies into one single system, in that both useful heat energy and electricity are produced. The impetus of this paper is to model a direct-coupled PV/T air collector which is designed, built, and tested at a geographic location of Kerman, Iran. In this system, a thin aluminum sheet suspended at the middle of air channel is used to increase the heat exchange surface and consequently improve heat extraction from PV panels. This PV/T system is tested in natural convection and forced convection (with two, four and eight fans operating) and its unsteady results are presented in with and without glass cover cases. A theoretical model is developed and validated against experimental data, where good agreement between the measured values and those calculated by the simulation model were achieved. Comparisons are made between electrical performance of the different modes of operation, and it is concluded that there is an optimum number of fans for achieving maximum electrical efficiency. Also, results show that setting glass cover on photovoltaic panels leads to an increase in thermal efficiency and decrease in electrical efficiency of the system. (author)

  16. Improving the representation of hydrologic processes in Earth System Models

    SciTech Connect (OSTI)

    Clark, Martyn P.; Fan, Ying; Lawrence, David M.; Adam, J. C.; Bolster, Diogo; Gochis, David; Hooper, Richard P.; Kumar, Mukesh; Leung, Lai-Yung R.; Mackay, D. Scott; Maxwell, Reed M.; Shen, Chaopeng; Swenson, Sean C.; Zeng, Xubin

    2015-08-21

    Many of the scientific and societal challenges in understanding and preparing for global environmental change rest upon our ability to understand and predict the water cycle change at large river basin, continent, and global scales. However, current large-scale models, such as the land components of Earth System Models (ESMs), do not yet represent the terrestrial water cycle in a fully integrated manner or resolve the finer-scale processes that can dominate large-scale water budgets. This paper reviews the current representation of hydrologic processes in ESMs and identifies the key opportunities for improvement. This review suggests that (1) the development of ESMs has not kept pace with modeling advances in hydrology, both through neglecting key processes (e.g., groundwater) and neglecting key aspects of spatial variability and hydrologic connectivity; and (2) many modeling advances in hydrology can readily be incorporated into ESMs and substantially improve predictions of the water cycle. Accelerating modeling advances in ESMs requires comprehensive hydrologic benchmarking activities, in order to systematically evaluate competing modeling alternatives, understand model weaknesses, and prioritize model development needs. This demands stronger collaboration, both through greater engagement of hydrologists in ESM development and through more detailed evaluation of ESM processes in research watersheds. Advances in the representation of hydrologic process in ESMs can substantially improve energy, carbon and nutrient cycle prediction capabilities through the fundamental role the water cycle plays in regulating these cycles.

  17. "Big Picture" Process Modeling Tools |GE Global Research

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Using process modeling tools to attain cost-effective results for GE customers Click to email this to a friend (Opens in new window) Share on Facebook (Opens in new window) Click ...

  18. Fully Coupled Geomechanics and Discrete Flow Network Modeling of Hydraulic Fracturing for Geothermal Applications

    SciTech Connect (OSTI)

    Fu, P; Johnson, S M; Hao, Y; Carrigan, C R

    2011-01-18

    The primary objective of our current research is to develop a computational test bed for evaluating borehole techniques to enhance fluid flow and heat transfer in enhanced geothermal systems (EGS). Simulating processes resulting in hydraulic fracturing and/or the remobilization of existing fractures, especially the interaction between propagating fractures and existing fractures, represents a critical goal of our project. To this end, we are continuing to develop a hydraulic fracturing simulation capability within the Livermore Distinct Element Code (LDEC), a combined FEM/DEM analysis code with explicit solid-fluid mechanics coupling. LDEC simulations start from an initial fracture distribution which can be stochastically generated or upscaled from the statistics of an actual fracture distribution. During the hydraulic stimulation process, LDEC tracks the propagation of fractures and other modifications to the fracture system. The output is transferred to the Non-isothermal Unsaturated Flow and Transport (NUFT) code to capture heat transfer and flow at the reservoir scale. This approach is intended to offer flexibility in the types of analyses we can perform, including evaluating the effects of different system heterogeneities on the heat extraction rate as well as seismicity associated with geothermal operations. This paper details the basic methodology of our approach. Two numerical examples showing the capability and effectiveness of our simulator are also presented.

  19. Coupling WRF double-moment 6-class microphysics schemes to RRTMG radiation scheme in weather research forecasting model

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bae, Soo Ya; Hong, Song -You; Lim, Kyo-Sun Sunny

    2016-01-01

    A method to explicitly calculate the effective radius of hydrometeors in the Weather Research Forecasting (WRF) double-moment 6-class (WDM6) microphysics scheme is designed to tackle the physical inconsistency in cloud properties between the microphysics and radiation processes. At each model time step, the calculated effective radii of hydrometeors from the WDM6 scheme are linked to the Rapid Radiative Transfer Model for GCMs (RRTMG) scheme to consider the cloud effects in radiative flux calculation. This coupling effect of cloud properties between the WDM6 and RRTMG algorithms is examined for a heavy rainfall event in Korea during 25–27 July 2011, and itmore » is compared to the results from the control simulation in which the effective radius is prescribed as a constant value. It is found that the derived radii of hydrometeors in the WDM6 scheme are generally larger than the prescribed values in the RRTMG scheme. Consequently, shortwave fluxes reaching the ground (SWDOWN) are increased over less cloudy regions, showing a better agreement with a satellite image. The overall distribution of the 24-hour accumulated rainfall is not affected but its amount is changed. In conclusion, a spurious rainfall peak over the Yellow Sea is alleviated, whereas the local maximum in the central part of the peninsula is increased.« less

  20. Engineered Barrier System Degradation, Flow, and Transport Process Model Report

    SciTech Connect (OSTI)

    E.L. Hardin

    2000-07-17

    The Engineered Barrier System Degradation, Flow, and Transport Process Model Report (EBS PMR) is one of nine PMRs supporting the Total System Performance Assessment (TSPA) being developed by the Yucca Mountain Project for the Site Recommendation Report (SRR). The EBS PMR summarizes the development and abstraction of models for processes that govern the evolution of conditions within the emplacement drifts of a potential high-level nuclear waste repository at Yucca Mountain, Nye County, Nevada. Details of these individual models are documented in 23 supporting Analysis/Model Reports (AMRs). Nineteen of these AMRs are for process models, and the remaining 4 describe the abstraction of results for application in TSPA. The process models themselves cluster around four major topics: ''Water Distribution and Removal Model, Physical and Chemical Environment Model, Radionuclide Transport Model, and Multiscale Thermohydrologic Model''. One AMR (Engineered Barrier System-Features, Events, and Processes/Degradation Modes Analysis) summarizes the formal screening analysis used to select the Features, Events, and Processes (FEPs) included in TSPA and those excluded from further consideration. Performance of a potential Yucca Mountain high-level radioactive waste repository depends on both the natural barrier system (NBS) and the engineered barrier system (EBS) and on their interactions. Although the waste packages are generally considered as components of the EBS, the EBS as defined in the EBS PMR includes all engineered components outside the waste packages. The principal function of the EBS is to complement the geologic system in limiting the amount of water contacting nuclear waste. A number of alternatives were considered by the Project for different EBS designs that could provide better performance than the design analyzed for the Viability Assessment. The design concept selected was Enhanced Design Alternative II (EDA II).

  1. On the Modeling of Local Neutronically-Coupled Flow-Induced Oscillations in Advanced Boiling Water Reactors

    SciTech Connect (OSTI)

    Aniel-Buchheit, Sylvie; Podowski, Michael Z.

    2006-07-01

    The purpose of this paper is to discuss the development in progress of a complete space- and time-dependent model of the coupled neutron kinetic and reactor thermal-hydraulics. The neutron kinetics model is based on two-group diffusion equations with Doppler and void reactivity feedback effects. This model is coupled with the model of two-phase flow and heat transfer in parallel coolant channels. The modeling concepts considered for this purpose include one-dimensional drift flux and two-fluid models, as well a CFD model implemented in the NPHASE advanced computational multiphase fluid dynamics (CMFD) computer code. Two methods of solution for the overall model are proposed. One is based on direct numerical integration of the spatially-discretized governing equations. The other approach is based on a quasi-analytical modal approach to the neutronics model, in which a complete set of eigenvectors is found for step-wise temporal changes of the cross-sections of core materials (fuel and coolant/moderator). The issues investigated in the paper include details of model formulation, as well as the results of calculations for neutronically-coupled density-wave oscillations. (authors)

  2. World Climate Research Programme (WCRP) Coupled Model Intercomparison Project phase 3 (CMIP3): Multi-Model Dataset Archive at PCMDI (Program for Climate Model Diagnosis and Intercomparison)

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    In response to a proposed activity of the WCRP's Working Group on Coupled Modelling (WGCM),PCMDI volunteered to collect model output contributed by leading modeling centers around the world. Climate model output from simulations of the past, present and future climate was collected by PCMDI mostly during the years 2005 and 2006, and this archived data constitutes phase 3 of the Coupled Model Intercomparison Project (CMIP3). In part, the WGCM organized this activity to enable those outside the major modeling centers to perform research of relevance to climate scientists preparing the Fourth Asssessment Report (AR4) of the Intergovernmental Panel on Climate Change (IPCC). The IPCC was established by the World Meteorological Organization and the United Nations Environmental Program to assess scientific information on climate change. The IPCC publishes reports that summarize the state of the science. This unprecedented collection of recent model output is officially known as the WCRP CMIP3 multi-model dataset. It is meant to serve IPCC's Working Group 1, which focuses on the physical climate system - atmosphere, land surface, ocean and sea ice - and the choice of variables archived at the PCMDI reflects this focus. A more comprehensive set of output for a given model may be available from the modeling center that produced it. As of November 2007, over 35 terabytes of data were in the archive and over 303 terabytes of data had been downloaded among the more than 1200 registered users. Over 250 journal articles, based at least in part on the dataset, have been published or have been accepted for peer-reviewed publication. Countries from which models have been gathered include Australia, Canada, China, France, Germany and Korea, Italy, Japan, Norway, Russia, Great Britain and the United States. Models, variables, and documentation are collected and stored. Check http://www-pcmdi.llnl.gov/ipcc/data_status_tables.htm to see at a glance the output that is available

  3. Forcing, feedbacks and climate sensitivity in CMIP5 coupled atmosphere-ocean climate models

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Andrews, Timothy; Gregory, Jonathan M.; Webb, Mark J.; Taylor, Karl E.

    2012-05-15

    We quantify forcing and feedbacks across available CMIP5 coupled atmosphere-ocean general circulation models (AOGCMs) by analysing simulations forced by an abrupt quadrupling of atmospheric carbon dioxide concentration. This is the first application of the linear forcing-feedback regression analysis of Gregory et al. (2004) to an ensemble of AOGCMs. The range of equilibrium climate sensitivity is 2.1–4.7 K. Differences in cloud feedbacks continue to be important contributors to this range. Some models show small deviations from a linear dependence of top-of-atmosphere radiative fluxes on global surface temperature change. We show that this phenomenon largely arises from shortwave cloud radiative effects overmore » the ocean and is consistent with independent estimates of forcing using fixed sea-surface temperature methods. Moreover, we suggest that future research should focus more on understanding transient climate change, including any time-scale dependence of the forcing and/or feedback, rather than on the equilibrium response to large instantaneous forcing.« less

  4. Development of Mechanistic Modeling Capabilities for Local Neutronically-Coupled Flow-Induced Instabilities in Advanced Water-Cooled Reactors

    SciTech Connect (OSTI)

    Michael Podowski

    2009-11-30

    The major research objectives of this project included the formulation of flow and heat transfer modeling framework for the analysis of flow-induced instabilities in advanced light water nuclear reactors such as boiling water reactors. General multifield model of two-phase flow, including the necessary closure laws. Development of neurton kinetics models compatible with the proposed models of heated channel dynamics. Formulation and encoding of complete coupled neutronics/thermal-hydraulics models for the analysis of spatially-dependent local core instabilities. Computer simulations aimed at testing and validating the new models of reactor dynamics.

  5. Metal coupled emission process

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    ... energy conservation ISTN, Inc. "Low density thermoplastic nanofoams nucleated by nanoparticles", Stephaney Costeux , Lingbo Zhu, Polymer, Volume 54, Issue 11, 2013, 2785 - 2795 ...

  6. New process model proves accurate in tests on catalytic reformer

    SciTech Connect (OSTI)

    Aguilar-Rodriguez, E.; Ancheyta-Juarez, J. )

    1994-07-25

    A mathematical model has been devised to represent the process that takes place in a fixed-bed, tubular, adiabatic catalytic reforming reactor. Since its development, the model has been applied to the simulation of a commercial semiregenerative reformer. The development of mass and energy balances for this reformer led to a model that predicts both concentration and temperature profiles along the reactor. A comparison of the model's results with experimental data illustrates its accuracy at predicting product profiles. Simple steps show how the model can be applied to simulate any fixed-bed catalytic reformer.

  7. Development and validation of process models for minor actinide separations processes using centrifugal contactors

    SciTech Connect (OSTI)

    Fox, O.D.; Carrott, M.J.; Gaubert, E.; Maher, C.J.; Mason, C.; Taylor, R.J.; Woodhead, D.A.

    2007-07-01

    As any future spent fuel treatment facility is likely to be based on intensified solvent extraction equipment it is important to understand the chemical and mass transfer kinetics of the processes involved. Two candidate minor actinide separations processes have been examined through a programme of modeling and experimental work to illustrate some of the issues to address in turning these technologies in to fully optimized processes suitable for industrialization. (authors)

  8. Vehicle Technologies Office Merit Review 2015: Coupling Mechanical with Electrochemical-Thermal Models Batteries Under Abuse

    Broader source: Energy.gov [DOE]

    Presentation given by National Renewable Energy Laboratory at 2015 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about coupling...

  9. Final report on process modeling of cupola furnaces

    SciTech Connect (OSTI)

    Not Available

    1990-07-01

    This report describes the first phase of the AFS/DOE program on mathematical modeling of cupola behavior, covering the period May 19, 1989 to July 19, 1990. The objective of the program is to develop a comprehensive mathematical model of the cupola furnace for on-line and off-line process control and optimization. The work is being carried out by five organizations: Massachusetts Institute of Technology with responsibility for heat transfer and fluid flow modeling, and incorporation of the chemical models being developed by the University of Michigan team. Modern Equipment Company has the responsibility of compiling information on needed sensors for monitoring operation and providing materials data to be used for cupola input. General Motors, Central Foundry Division, is investigating the potential to augment the mathematical models with artificial intelligence programs. Lastly, General Motors Research laboratories are charged with providing accurate cupola operational data to test the models being developed. To date, a one-dimensional steady state model has been developed which considers heat transfer, fluid flow and important chemical processes: combustion, iron composition development, limestone calcination and iron oxidation. The model is based on established physico-chemical principles and data available in the literature. Model predictions compare favorably with data obtained in a production sale cupola, operating under carefully controlled, but realistic, conditions. At the present time, the chemical sub-models are being incorporated into the master program, and a complete working cupola model is expected by September 1990. 43 refs.

  10. Mathematical modeling and computer simulation of processes in energy systems

    SciTech Connect (OSTI)

    Hanjalic, K.C. )

    1990-01-01

    This book is divided into the following chapters. Modeling techniques and tools (fundamental concepts of modeling); 2. Fluid flow, heat and mass transfer, chemical reactions, and combustion; 3. Processes in energy equipment and plant components (boilers, steam and gas turbines, IC engines, heat exchangers, pumps and compressors, nuclear reactors, steam generators and separators, energy transport equipment, energy convertors, etc.); 4. New thermal energy conversion technologies (MHD, coal gasification and liquefaction fluidized-bed combustion, pulse-combustors, multistage combustion, etc.); 5. Combined cycles and plants, cogeneration; 6. Dynamics of energy systems and their components; 7. Integrated approach to energy systems modeling, and 8. Application of modeling in energy expert systems.

  11. Implementation of New Process Models for Tailored Polymer Composite Structures into Processing Software Packages

    SciTech Connect (OSTI)

    Nguyen, Ba Nghiep; Jin, Xiaoshi; Wang, Jin; Phelps, Jay; Tucker III, Charles L.; Kunc, Vlastimil; Bapanapalli, Satish K.; Smith, Mark T.

    2010-02-23

    This report describes the work conducted under the Cooperative Research and Development Agreement (CRADA) (Nr. 260) between the Pacific Northwest National Laboratory (PNNL) and Autodesk, Inc. to develop and implement process models for injection-molded long-fiber thermoplastics (LFTs) in processing software packages. The structure of this report is organized as follows. After the Introduction Section (Section 1), Section 2 summarizes the current fiber orientation models developed for injection-molded short-fiber thermoplastics (SFTs). Section 3 provides an assessment of these models to determine their capabilities and limitations, and the developments needed for injection-molded LFTs. Section 4 then focuses on the development of a new fiber orientation model for LFTs. This model is termed the anisotropic rotary diffusion - reduced strain closure (ARD-RSC) model as it explores the concept of anisotropic rotary diffusion to capture the fiber-fiber interaction in long-fiber suspensions and uses the reduced strain closure method of Wang et al. to slow down the orientation kinetics in concentrated suspensions. In contrast to fiber orientation modeling, before this project, no standard model was developed to predict the fiber length distribution in molded fiber composites. Section 5 is therefore devoted to the development of a fiber length attrition model in the mold. Sections 6 and 7 address the implementations of the models in AMI, and the conclusions drawn from this work is presented in Section 8.

  12. Process simulation: The art and science of modeling

    SciTech Connect (OSTI)

    Glasscock, D.A.; Hale, J.C. )

    1994-11-01

    Process simulation has gone from a small, if clannish, phenomenon to being part of the everyday tasks carried out by engineers in the chemical process industries (CPI). Numerous software packages are now enabling process operators, technicians and supervisors to make moment-to-moment decisions about a process on the basis of simulation results graphically displayed on a computer screen. Indeed, process simulation has fundamentally changed not only how engineering is practiced on the plant floor, but what is expected of today's design and operation teams. Traditionally, process modeling has been used to design flowsheets and to specify only the important parameters of equipment, such as the number of trays in a distillation column and the diameter of a vessel. Meanwhile, other application areas have been growing in importance that deal with a process at all stages of its life cycle, from synthesis to design, construction, startup, modification and retirement. The paper discusses variables to optimize, paradigm shifts in simulation, having realistic expectations, problem abstraction, setting the right objectives, getting at thermodynamic data, collecting kinetic data, evaluating process alternatives, designing a new process, and training for process operators.

  13. A Process Model for the Production of Hydrogen Using High Temperature Electrolysis

    SciTech Connect (OSTI)

    M. G. Mc Kellar; E. A. Harvego; M. Richards; A. Shenoy

    2006-07-01

    High temperature electrolysis (HTE) involves the splitting of stream into hydrogen and oxygen at high temperatures. The primary advantage of HTE over conventional low temperature electrolysis is that considerably higher hydrogen production efficiencies can be achieved. Performing the electrolysis process at high temperatures results in more favorable thermodynamics for electrolysis, more efficient production of electricity, and allows direct use of process heat to generate steam. This paper presents the results of process analyses performed to evaluate the hydrogen production efficiencies of an HTE plant coupled to a 600 MWt Modular Helium Reactor (MHR) that supplies both the electricity and process heat needed to drive the process. The MHR operates with a coolant outlet temperature of 950 C. Approximately 87% of the high-temperature heat is used to generate electricity at high efficiency using a direct, Brayton-cycle power conversion system. The remaining high-temperature heat is used to generate a superheated steam / hydrogen mixture that is supplied to the electrolyzers. The analyses were performed using the HYSYS process modeling software. The model used to perform the analyses consisted of three loops; a primary high temperature helium loop, a secondary helium loop and the HTE process loop. The detailed model included realistic representations of all major components in the system, including pumps, compressors, heat exchange equipment, and the electrolysis stack. The design of the hydrogen production process loop also included a steam-sweep gas system to remove oxygen from the electrolysis stack so that it can be recovered and used for other applications. Results of the process analyses showed that hydrogen production efficiencies in the range of 45% to 50% are achievable with this system.

  14. A Fully Coupled Simulation and Optimization Scheme for the Design of 3D Powder Injection Molding Processes

    SciTech Connect (OSTI)

    Ayad, G.; Barriere, T.; Gelin, J. C. [Femto-ST Institute/LMA, ENSMM, 26 Rue de l'Epitaphe, 25000 Besancon (France); Song, J. [Femto-ST Institute/LMA, ENSMM, 26 Rue de l'Epitaphe, 25000 Besancon (France); Department of Applied Mechanics and Engineering, Southwest Jiaotong University, 610031 Chengdu (China); Liu, B. [Department of Applied Mechanics and Engineering, Southwest Jiaotong University, 610031 Chengdu (China)

    2007-05-17

    The paper is concerned with optimization and parametric identification of Powder Injection Molding process that consists first in injection of powder mixture with polymer binder and then to the sintering of the resulting powders parts by solid state diffusion. In the first part, one describes an original methodology to optimize the injection stage based on the combination of Design Of Experiments and an adaptive Response Surface Modeling. Then the second part of the paper describes the identification strategy that one proposes for the sintering stage, using the identification of sintering parameters from dilatometer curves followed by the optimization of the sintering process. The proposed approaches are applied to the optimization for manufacturing of a ceramic femoral implant. One demonstrates that the proposed approach give satisfactory results.

  15. Code Coupling via Jacobian-Free Newton-Krylov Algorithms with Application to Magnetized Fluid Plasma and Kinetic Neutral Models

    SciTech Connect (OSTI)

    Joseph, Ilon

    2014-05-27

    Jacobian-free Newton-Krylov (JFNK) algorithms are a potentially powerful class of methods for solving the problem of coupling codes that address dfferent physics models. As communication capability between individual submodules varies, different choices of coupling algorithms are required. The more communication that is available, the more possible it becomes to exploit the simple spa sity pattern of the Jacobian, albeit of a large system. The less communication that is available, the more dense the Jacobian matrices become and new types of preconditioners must be sought to efficiently take large time steps. In general, methods that use constrained or reduced subsystems can offer a compromise in complexity. The specific problem of coupling a fluid plasma code to a kinetic neutrals code is discussed as an example.

  16. Measurement and modeling of advanced coal conversion processes, Volume III

    SciTech Connect (OSTI)

    Ghani, M.U.; Hobbs, M.L.; Hamblen, D.G.

    1993-08-01

    A generalized one-dimensional, heterogeneous, steady-state, fixed-bed model for coal gasification and combustion is presented. The model, FBED-1, is a design and analysis tool that can be used to simulate a variety of gasification, devolatilization, and combustion processes. The model considers separate gas and solid temperatures, axially variable solid and gas flow rates, variable bed void fraction, coal drying, devolatilization based on chemical functional group composition, depolymerization, vaporization and crosslinking, oxidation, and gasification of char, and partial equilibrium in the gas phase.

  17. Geometric phase effects in low-energy dynamics near conical intersections: A study of the multidimensional linear vibronic coupling model

    SciTech Connect (OSTI)

    Joubert-Doriol, Loc; Ryabinkin, Ilya G.; Izmaylov, Artur F.; Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6

    2013-12-21

    In molecular systems containing conical intersections (CIs), a nontrivial geometric phase (GP) appears in the nuclear and electronic wave functions in the adiabatic representation. We study GP effects in nuclear dynamics of an N-dimensional linear vibronic coupling (LVC) model. The main impact of GP on low-energy nuclear dynamics is reduction of population transfer between the local minima of the LVC lower energy surface. For the LVC model, we proposed an isometric coordinate transformation that confines non-adiabatic effects within a two-dimensional subsystem interacting with an N ? 2 dimensional environment. Since environmental modes do not couple electronic states, all GP effects originate from nuclear dynamics within the subsystem. We explored when the GP affects nuclear dynamics of the isolated subsystem, and how the subsystem-environment interaction can interfere with GP effects. Comparing quantum dynamics with and without GP allowed us to devise simple rules to determine significance of the GP for nuclear dynamics in this model.

  18. Process modeling for the Integrated Thermal Treatment System (ITTS) study

    SciTech Connect (OSTI)

    Liebelt, K.H.; Brown, B.W.; Quapp, W.J.

    1995-09-01

    This report describes the process modeling done in support of the integrated thermal treatment system (ITTS) study, Phases 1 and 2. ITTS consists of an integrated systems engineering approach for uniform comparison of widely varying thermal treatment technologies proposed for treatment of the contact-handled mixed low-level wastes (MLLW) currently stored in the U.S. Department of Energy complex. In the overall study, 19 systems were evaluated. Preconceptual designs were developed that included all of the various subsystems necessary for a complete installation, from waste receiving through to primary and secondary stabilization and disposal of the processed wastes. Each system included the necessary auxiliary treatment subsystems so that all of the waste categories in the complex were fully processed. The objective of the modeling task was to perform mass and energy balances of the major material components in each system. Modeling of trace materials, such as pollutants and radioactive isotopes, were beyond the present scope. The modeling of the main and secondary thermal treatment, air pollution control, and metal melting subsystems was done using the ASPEN PLUS process simulation code, Version 9.1-3. These results were combined with calculations for the remainder of the subsystems to achieve the final results, which included offgas volumes, and mass and volume waste reduction ratios.

  19. Application of Gamma code coupled with turbomachinery models for high temperature gas-cooled reactors

    SciTech Connect (OSTI)

    Chang Oh

    2008-02-01

    The very high-temperature gas-cooled reactor (VHTR) is envisioned as a single- or dual-purpose reactor for electricity and hydrogen generation. The concept has average coolant temperatures above 9000C and operational fuel temperatures above 12500C. The concept provides the potential for increased energy conversion efficiency and for high-temperature process heat application in addition to power generation. While all the High Temperature Gas Cooled Reactor (HTGR) concepts have sufficiently high temperature to support process heat applications, such as coal gasification, desalination or cogenerative processes, the VHTR’s higher temperatures allow broader applications, including thermochemical hydrogen production. However, the very high temperatures of this reactor concept can be detrimental to safety if a loss-ofcoolant accident (LOCA) occurs. Following the loss of coolant through the break and coolant depressurization, air will enter the core through the break by molecular diffusion and ultimately by natural convection, leading to oxidation of the in-core graphite structure and fuel. The oxidation will accelerate heatup of the reactor core and the release of a toxic gas, CO, and fission products. Thus, without any effective countermeasures, a pipe break may lead to significant fuel damage and fission product release. Prior to the start of this Korean/United States collaboration, no computer codes were available that had been sufficiently developed and validated to reliably simulate a LOCA in the VHTR. Therefore, we have worked for the past three years on developing and validating advanced computational methods for simulating LOCAs in a VHTR. GAMMA code is being developed to implement turbomachinery models in the power conversion unit (PCU) and ultimately models associated with the hydrogen plant. Some preliminary results will be described in this paper.

  20. Comparative study of laminar and turbulent flow model with different operating parameters for radio frequency-inductively coupled plasma torch working at 3??MHz frequency at atmospheric pressure

    SciTech Connect (OSTI)

    Punjabi, Sangeeta B.; Sahasrabudhe, S. N.; Das, A. K.; Joshi, N. K.; Mangalvedekar, H. A.; Kothari, D. C.

    2014-01-15

    This paper provides 2D comparative study of results obtained using laminar and turbulent flow model for RF (radio frequency) Inductively Coupled Plasma (ICP) torch. The study was done for the RF-ICP torch operating at 50?kW DC power and 3?MHz frequency located at BARC. The numerical modeling for this RF-ICP torch is done using ANSYS software with the developed User Defined Function. A comparative study is done between laminar and turbulent flow model to investigate how temperature and flow fields change when using different operating conditions such as (a) swirl and no swirl velocity for sheath gas flow rate, (b) variation in sheath gas flow rate, and (c) variation in plasma gas flow rate. These studies will be useful for different material processing applications.

  1. Investigating the Correspondence Between Transcriptomic and Proteomic Expression Profiles Using Coupled Cluster Models.

    SciTech Connect (OSTI)

    Rogers, Simon; Girolami, Mark; Kolch, Walter; Waters, Katrina M.; Liu, Tao; Thrall, Brian D.; Wiley, H. S.

    2008-12-01

    Modern transcriptomics and proteomics enable us to survey the expression of RNAs and proteins at large scales. While these data are usually generated and analysed separately, there is an increasing interest in comparing and co-analysing transcriptome and proteome expression data. A major open question is whether transcriptome and proteome expression is linked and how it is coordinated. Results: Here we have developed a probabilistic clustering model that permits analysis of the links between transcriptomic and proteomic profiles in a sensible and flexible manner. Our coupled mixture model defines a prior probability distribution over the component to which a protein profile should be assigned conditioned on which component the associated mRNA profile belongs to. By providing probabilistic assignments this approach sits between the two extremes of concatenating the data on the assumption that mRNA and protein clusters would have a one-to-one relationship, and independent clustering where the mRNA profile provides no information on the protein profile and vice-versa. We apply this approach to a large dataset of quantitative transcriptomic and proteomic expression data obtained from a human breast epithelial cell line (HMEC) stimulated by epidermal growth factor (EGF) over a series of timepoints corresponding to one cell cycle. The results reveal a complex relationship between transcriptome and proteome with most mRNA clusters linked to at least two protein clusters, and vice versa. A more detailed analysis incorporating information on gene function from the gene ontology database shows that a high correlation of mRNA and protein expression is limited to the components of some molecular machines, such as the ribosome, cell adhesion complexes and the TCP-1 chaperonin involved in protein folding. Conclusions: The dynamic regulation of the transcriptome and proteome in mammalian cells in response to an acute mitogenic stimulus appears largely independent with very little

  2. Modeling veterans healthcare administration disclosure processes : CY 2012 summary.

    SciTech Connect (OSTI)

    Beyeler, Walter Eugene; DeMenno, Mercy B.; Finley, Patrick D.

    2013-09-01

    As with other large healthcare organizations, medical adverse events at the Department of Veterans Affairs (VA) facilities can expose patients to unforeseen negative risks. VHA leadership recognizes that properly handled disclosure of adverse events can minimize potential harm to patients and negative consequences for the effective functioning of the organization. The work documented here seeks to help improve the disclosure process by situating it within the broader theoretical framework of issues management, and to identify opportunities for process improvement through modeling disclosure and reactions to disclosure. The computational model will allow a variety of disclosure actions to be tested across a range of incident scenarios. Our conceptual model will be refined in collaboration with domain experts, especially by continuing to draw on insights from VA Study of the Communication of Adverse Large-Scale Events (SCALE) project researchers.

  3. Discussion: the design and analysis of the Gaussian process model

    SciTech Connect (OSTI)

    Williams, Brian J; Loeppky, Jason L

    2008-01-01

    The investigation of complex physical systems utilizing sophisticated computer models has become commonplace with the advent of modern computational facilities. In many applications, experimental data on the physical systems of interest is extremely expensive to obtain and hence is available in limited quantities. The mathematical systems implemented by the computer models often include parameters having uncertain values. This article provides an overview of statistical methodology for calibrating uncertain parameters to experimental data. This approach assumes that prior knowledge about such parameters is represented as a probability distribution, and the experimental data is used to refine our knowledge about these parameters, expressed as a posterior distribution. Uncertainty quantification for computer model predictions of the physical system are based fundamentally on this posterior distribution. Computer models are generally not perfect representations of reality for a variety of reasons, such as inadequacies in the physical modeling of some processes in the dynamic system. The statistical model includes components that identify and adjust for such discrepancies. A standard approach to statistical modeling of computer model output for unsampled inputs is introduced for the common situation where limited computer model runs are available. Extensions of the statistical methods to functional outputs are available and discussed briefly.

  4. Coupling a Mesoscale Numerical Weather Prediction Model with Large-Eddy Simulation for Realistic Wind Plant Aerodynamics Simulations (Poster)

    SciTech Connect (OSTI)

    Draxl, C.; Churchfield, M.; Mirocha, J.; Lee, S.; Lundquist, J.; Michalakes, J.; Moriarty, P.; Purkayastha, A.; Sprague, M.; Vanderwende, B.

    2014-06-01

    Wind plant aerodynamics are influenced by a combination of microscale and mesoscale phenomena. Incorporating mesoscale atmospheric forcing (e.g., diurnal cycles and frontal passages) into wind plant simulations can lead to a more accurate representation of microscale flows, aerodynamics, and wind turbine/plant performance. Our goal is to couple a numerical weather prediction model that can represent mesoscale flow [specifically the Weather Research and Forecasting model] with a microscale LES model (OpenFOAM) that can predict microscale turbulence and wake losses.

  5. A coupling strategy for nonlocal and local diffusion models with mixed volume constraints and boundary conditions

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    D'Elia, Marta; Perego, Mauro; Bochev, Pavel B.; Littlewood, David John

    2015-12-21

    We develop and analyze an optimization-based method for the coupling of nonlocal and local diffusion problems with mixed volume constraints and boundary conditions. The approach formulates the coupling as a control problem where the states are the solutions of the nonlocal and local equations, the objective is to minimize their mismatch on the overlap of the nonlocal and local domains, and the controls are virtual volume constraints and boundary conditions. When some assumptions on the kernel functions hold, we prove that the resulting optimization problem is well-posed and discuss its implementation using Sandia’s agile software components toolkit. As a result,more » the latter provides the groundwork for the development of engineering analysis tools, while numerical results for nonlocal diffusion in three-dimensions illustrate key properties of the optimization-based coupling method.« less

  6. A coupling strategy for nonlocal and local diffusion models with mixed volume constraints and boundary conditions

    SciTech Connect (OSTI)

    D'Elia, Marta; Perego, Mauro; Bochev, Pavel B.; Littlewood, David John

    2015-12-21

    We develop and analyze an optimization-based method for the coupling of nonlocal and local diffusion problems with mixed volume constraints and boundary conditions. The approach formulates the coupling as a control problem where the states are the solutions of the nonlocal and local equations, the objective is to minimize their mismatch on the overlap of the nonlocal and local domains, and the controls are virtual volume constraints and boundary conditions. When some assumptions on the kernel functions hold, we prove that the resulting optimization problem is well-posed and discuss its implementation using Sandia’s agile software components toolkit. As a result, the latter provides the groundwork for the development of engineering analysis tools, while numerical results for nonlocal diffusion in three-dimensions illustrate key properties of the optimization-based coupling method.

  7. "Violent Intent Modeling: Incorporating Cultural Knowledge into the Analytical Process

    SciTech Connect (OSTI)

    Sanfilippo, Antonio P.; Nibbs, Faith G.

    2007-08-24

    While culture has a significant effect on the appropriate interpretation of textual data, the incorporation of cultural considerations into data transformations has not been systematic. Recognizing that the successful prevention of terrorist activities could hinge on the knowledge of the subcultures, Anthropologist and DHS intern Faith Nibbs has been addressing the need to incorporate cultural knowledge into the analytical process. In this Brown Bag she will present how cultural ideology is being used to understand how the rhetoric of group leaders influences the likelihood of their constituents to engage in violent or radicalized behavior, and how violent intent modeling can benefit from understanding that process.

  8. Model-independent Higgs coupling measurements at the LHC using the H{yields}ZZ{yields}4l lineshape

    SciTech Connect (OSTI)

    Logan, Heather E.; Salvail, Jeff Z.

    2011-10-01

    We show that combining a direct measurement of the Higgs total width from the H{yields}ZZ{yields}4l lineshape with Higgs signal rate measurements allows Higgs couplings to be extracted in a model-independent way from CERN LHC data. Using existing experimental studies with 30 fb{sup -1} at one detector of the 14 TeV LHC, we show that the couplings squared of a 190 GeV Higgs to WW, ZZ, and gg can be extracted with statistical precisions of about 10%, and a 95% confidence level upper limit on an unobserved component of the Higgs decay width of about 22% of the standard model Higgs width can be set. The method can also be applied for heavier Higgs masses.

  9. Atmospheric Properties from the 2006 Niamey Deployment and Climate Simulation with a Geodesic Grid Coupled Climate Model

    SciTech Connect (OSTI)

    Jensen, M; Johnson, K; Mather, J; Randall, D

    2008-03-01

    In 2008, the Atmospheric Radiation Measurement (ARM) Program and the Climate Change Prediction Program (CCPP) have been asked to produce joint science metrics. For CCPP, the metrics will deal with a decade-long control simulation using geodesic grid-coupled climate model. For ARM, the metrics will deal with observations associated with the 2006 deployment of the ARM Mobile Facility (AMF) to Niamey, Niger. Specifically, ARM has been asked to deliver data products for Niamey that describe cloud, aerosol, and dust properties.

  10. Coupling of Mechanical Behavior of Cell Components to Electrochemical-Thermal Models for Computer- Aided Engineering of Batteries under Abuse

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Coupling of Mechanical Behavior of Cell Components to Electrochemical-Thermal Models for Computer- Aided Engineering of Batteries under Abuse P.I.: Ahmad Pesaran Team: Tomasz Wierzbicki and Elham Sahraei (MIT) Genong Li and Lewis Collins (ANSYS) M. Sprague, G.H. Kim and S. Santhangopalan (NREL) June 17, 2014 This presentation does not contain any proprietary, confidential, or otherwise restricted information. Project ID: ES199 NREL/PR-5400-61885 2 Overview * Project Start: October 2013 * Project

  11. Process integrated modelling for steelmaking Life Cycle Inventory analysis

    SciTech Connect (OSTI)

    Iosif, Ana-Maria Hanrot, Francois Ablitzer, Denis

    2008-10-15

    During recent years, strict environmental regulations have been implemented by governments for the steelmaking industry in order to reduce their environmental impact. In the frame of the ULCOS project, we have developed a new methodological framework which combines the process integrated modelling approach with Life Cycle Assessment (LCA) method in order to carry out the Life Cycle Inventory of steelmaking. In the current paper, this new concept has been applied to the sinter plant which is the most polluting steelmaking process. It has been shown that this approach is a powerful tool to make the collection of data easier, to save time and to provide reliable information concerning the environmental diagnostic of the steelmaking processes.

  12. ACTINIDE REMOVAL PROCESS SAMPLE ANALYSIS, CHEMICAL MODELING, AND FILTRATION EVALUATION

    SciTech Connect (OSTI)

    Martino, C.; Herman, D.; Pike, J.; Peters, T.

    2014-06-05

    Filtration within the Actinide Removal Process (ARP) currently limits the throughput in interim salt processing at the Savannah River Site. In this process, batches of salt solution with Monosodium Titanate (MST) sorbent are concentrated by crossflow filtration. The filtrate is subsequently processed to remove cesium in the Modular Caustic Side Solvent Extraction Unit (MCU) followed by disposal in saltstone grout. The concentrated MST slurry is washed and sent to the Defense Waste Processing Facility (DWPF) for vitrification. During recent ARP processing, there has been a degradation of filter performance manifested as the inability to maintain high filtrate flux throughout a multi-batch cycle. The objectives of this effort were to characterize the feed streams, to determine if solids (in addition to MST) are precipitating and causing the degraded performance of the filters, and to assess the particle size and rheological data to address potential filtration impacts. Equilibrium modelling with OLI Analyzer{sup TM} and OLI ESP{sup TM} was performed to determine chemical components at risk of precipitation and to simulate the ARP process. The performance of ARP filtration was evaluated to review potential causes of the observed filter behavior. Task activities for this study included extensive physical and chemical analysis of samples from the Late Wash Pump Tank (LWPT) and the Late Wash Hold Tank (LWHT) within ARP as well as samples of the tank farm feed from Tank 49H. The samples from the LWPT and LWHT were obtained from several stages of processing of Salt Batch 6D, Cycle 6, Batch 16.

  13. Measurement and modeling of advanced coal conversion processes

    SciTech Connect (OSTI)

    Solomon, P.R.; Serio, M.A.; Hamblen, D.G. ); Smoot, L.D.; Brewster, B.S. )

    1992-01-01

    The objectives of this proposed study are to establish the mechanisms and rates of basic steps in coal conversion processes, to integrate and incorporate this information into comprehensive computer models for coal conversion processes, to evaluate these models and to apply them to gasification, mild gasification and combustion in heat engines. This report describes progress during twenty second quarter of the program. Specifically, the paper discusses progress in three task areas: (1) Submodel development and evaluation: coal to char chemistry submodel; fundamental high-pressure reaction rate data; secondary reaction of pyrolysis product and burnout submodels; ash physics and chemistry submodel; large particle submodels; large char particle oxidation at high pressures; and SO[sub x]-NO[sub x] submodel development and evaluation; (2) Comprehensive model development and evaluation: integration of advanced submodels into entrained-flow code, with evaluation and documentation; comprehensive fixed-bed modeling review, development evaluation and implementation; and generalized fuels feedstock submodel; and (3) Application of integrated codes: application of generalized pulverized coal comprehensive code and application of fixed-bed code.

  14. NEUTRINO-COOLED ACCRETION MODEL WITH MAGNETIC COUPLING FOR X-RAY FLARES IN GAMMA-RAY BURSTS

    SciTech Connect (OSTI)

    Luo Yang; Gu Weimin; Liu Tong; Lu Jufu, E-mail: guwm@xmu.edu.cn [Department of Astronomy and Institute of Theoretical Physics and Astrophysics, Xiamen University, Xiamen, Fujian 361005 (China)

    2013-08-20

    The neutrino-cooled accretion disk, which was proposed to work as the central engine of gamma-ray bursts, encounters difficulty in interpreting the X-ray flares after the prompt gamma-ray emission. In this paper, the magnetic coupling (MC) between the inner disk and the central black hole (BH) is taken into consideration. For mass accretion rates around 0.001 {approx} 0.1 M{sub Sun} s{sup -1}, our results show that the luminosity of neutrino annihilation can be significantly enhanced due to the coupling effects. As a consequence, after the gamma-ray emission, a remnant disk with mass M{sub disk} {approx}< 0.5 M{sub Sun} may power most of the observed X-ray flares with the rest frame duration less than 100 s. In addition, a comparison between the MC process and the Blandford-Znajek mechanism is shown on the extraction of BH rotational energy.

  15. Characterization of U(VI) Sorption-Desorption Processes and Model Upscaling

    SciTech Connect (OSTI)

    Bai, Jing; Dong, Wenming; Ball, William P.

    2006-10-12

    The objectives of the overall collaborative EMSP effort (with which this project is associated) were to characterize sorption and desorption processes of U(VI) on pristine and contaminated Hanford sediments over a range of sediment facies and materials properties and to relate such characterization both to fundamental molecular-scale understanding and field-scale models of geochemistry and mass transfer. The research was intended to provide new insights on the mechanisms of U(VI) retardation at Hanford, and to allow the development of approaches by which laboratory-developed geochemical models could be upscaled for defensible field-scale predictions of uranium transport in the environment. Within this broader context, objectives of the JHU-based project were to test hypotheses regarding the coupled roles of adsorption and impermeable-zone diffusion in controlling the fate and transport of U(VI) species under conditions of comparatively short-term exposure. In particular, this work tested the following hypotheses: (1) the primary adsorption processes in the Hanford sediment over the pH range of 7 to 10 are surface complexation reactions of aqueous U(VI) hydroxycarbonate and carbonate complexes with amphoteric edge sites on detrital phyllosilicates in the silt/clay size fraction; (2) macroscopic adsorption intensity (at given aqueous conditions) is a function of mineral composition and aquatic chemistry; and (3) equilibrium sorption and desorption to apply in short-term, laboratory-spiked pristine sediments; and (4) interparticle diffusion can be fully understood in terms of a model that couples molecular diffusion of uranium species in the porewater with equilibrium sorption under the relevant aqueous conditions. The primary focus of the work was on developing and applying both models and experiments to test the applicability of "local equilibrium" assumptions in the modeling interpretation of sorption retarded interparticle diffusion, as relevant to processes of U

  16. Model choice considerations and information integration using analytical hierarchy process

    SciTech Connect (OSTI)

    Langenbrunner, James R; Hemez, Francois M; Booker, Jane M; Ross, Timothy J.

    2010-10-15

    Using the theory of information-gap for decision-making under severe uncertainty, it has been shown that model output compared to experimental data contains irrevocable trade-offs between fidelity-to-data, robustness-to-uncertainty and confidence-in-prediction. We illustrate a strategy for information integration by gathering and aggregating all available data, knowledge, theory, experience, similar applications. Such integration of information becomes important when the physics is difficult to model, when observational data are sparse or difficult to measure, or both. To aggregate the available information, we take an inference perspective. Models are not rejected, nor wasted, but can be integrated into a final result. We show an example of information integration using Saaty's Analytic Hierarchy Process (AHP), integrating theory, simulation output and experimental data. We used expert elicitation to determine weights for two models and two experimental data sets, by forming pair-wise comparisons between model output and experimental data. In this way we transform epistemic and/or statistical strength from one field of study into another branch of physical application. The price to pay for utilizing all available knowledge is that inferences drawn for the integrated information must be accounted for and the costs can be considerable. Focusing on inferences and inference uncertainty (IU) is one way to understand complex information.

  17. Preliminary time-phased TWRS process model results

    SciTech Connect (OSTI)

    Orme, R.M.

    1995-03-24

    This report documents the first phase of efforts to model the retrieval and processing of Hanford tank waste within the constraints of an assumed tank farm configuration. This time-phased approach simulates a first try at a retrieval sequence, the batching of waste through retrieval facilities, the batching of retrieved waste through enhanced sludge washing, the batching of liquids through pretreatment and low-level waste (LLW) vitrification, and the batching of pretreated solids through high-level waste (HLW) vitrification. The results reflect the outcome of an assumed retrieval sequence that has not been tailored with respect to accepted measures of performance. The batch data, composition variability, and final waste volume projects in this report should be regarded as tentative. Nevertheless, the results provide interesting insights into time-phased processing of the tank waste. Inspection of the composition variability, for example, suggests modifications to the retrieval sequence that will further improve the uniformity of feed to the vitrification facilities. This model will be a valuable tool for evaluating suggested retrieval sequences and establishing a time-phased processing baseline. An official recommendation on tank retrieval sequence will be made in September, 1995.

  18. Geant4 Model Validation of Compton Suppressed System for Process monitoring of Spent Fuel

    SciTech Connect (OSTI)

    Bender, Sarah; Unlu, Kenan; Orton, Christopher R.; Schwantes, Jon M.

    2013-05-01

    Nuclear material accountancy is of continuous concern for the regulatory, safeguards, and verification communities. In particular, spent nuclear fuel reprocessing facilities pose one of the most difficult accountancy challenges: monitoring highly radioactive, fluid sample streams in near real-time. The Multi-Isotope Process monitor will allow for near-real-time indication of process alterations using passive gamma-ray detection coupled with multivariate analysis techniques to guard against potential material diversion or to enhance domestic process monitoring. The Compton continuum from the dominant 661.7 keV 137Cs fission product peak obscures lower energy lines which could be used for spectral and multivariate analysis. Compton suppression may be able to mitigate the challenges posed by the high continuum caused by scattering. A Monte Carlo simulation using the Geant4 toolkit is being developed to predict the expected suppressed spectrum from spent fuel samples to estimate the reduction in the Compton continuum. Despite the lack of timing information between decay events in the particle management of Geant4, encouraging results were recorded utilizing only the information within individual decays without accounting for accidental coincidences. The model has been validated with single and cascade decay emitters in two steps: as an unsuppressed system and with suppression activated. Results of the Geant4 model validation will be presented.

  19. Model and Analytic Processes for Export License Assessments

    SciTech Connect (OSTI)

    Thompson, Sandra E.; Whitney, Paul D.; Weimar, Mark R.; Wood, Thomas W.; Daly, Don S.; Brothers, Alan J.; Sanfilippo, Antonio P.; Cook, Diane; Holder, Larry

    2011-09-29

    This paper represents the Department of Energy Office of Nonproliferation Research and Development (NA-22) Simulations, Algorithms and Modeling (SAM) Program's first effort to identify and frame analytical methods and tools to aid export control professionals in effectively predicting proliferation intent; a complex, multi-step and multi-agency process. The report focuses on analytical modeling methodologies that alone, or combined, may improve the proliferation export control license approval process. It is a follow-up to an earlier paper describing information sources and environments related to international nuclear technology transfer. This report describes the decision criteria used to evaluate modeling techniques and tools to determine which approaches will be investigated during the final 2 years of the project. The report also details the motivation for why new modeling techniques and tools are needed. The analytical modeling methodologies will enable analysts to evaluate the information environment for relevance to detecting proliferation intent, with specific focus on assessing risks associated with transferring dual-use technologies. Dual-use technologies can be used in both weapons and commercial enterprises. A decision-framework was developed to evaluate which of the different analytical modeling methodologies would be most appropriate conditional on the uniqueness of the approach, data availability, laboratory capabilities, relevance to NA-22 and Office of Arms Control and Nonproliferation (NA-24) research needs and the impact if successful. Modeling methodologies were divided into whether they could help micro-level assessments (e.g., help improve individual license assessments) or macro-level assessment. Macro-level assessment focuses on suppliers, technology, consumers, economies, and proliferation context. Macro-level assessment technologies scored higher in the area of uniqueness because less work has been done at the macro level. An approach to

  20. Modeling of coupled heat and mass transfers with phase change in a porous medium: Application to superheated steam drying

    SciTech Connect (OSTI)

    Daurelle, J.V.; Topin, F.; Occelli, R. [IUSTI, Marseille (France)

    1998-01-01

    The physical model is based on balance equations at the representative elementary volume. The considered medium has three phases (liquid, solid, and gas). The gas phase includes two components (air and vapor). The authors use the mass balance equations on air and water (liquid and steam) as well as the heat equation in order to describe the phenomena. The system of equations is closed via classical relations in these media, which leads to a three-equation system with coupled nonlinear partial derivatives. The authors have applied this model to superheated steam drying. A solution model of the coupled nonlinear equation system based on the finite element method in a two-dimensional configuration was developed and validated. This approach allows one to determine all the variables of the problem. It is a complementary tool of analysis that opens access to nonmeasurable variables, such as the phase change rate. This computation model was applied to a configuration studied experimentally. The numerical and experimental results agree in nondimensional time. This double approach has enabled them to point out and evaluate new mechanisms typical of this drying method.

  1. Modeling of inductively coupled plasma SF{sub 6}/O{sub 2}/Ar plasma discharge: Effect of O{sub 2} on the plasma kinetic properties

    SciTech Connect (OSTI)

    Pateau, Amand; Rhallabi, Ahmed Fernandez, Marie-Claude; Boufnichel, Mohamed; Roqueta, Fabrice

    2014-03-15

    A global model has been developed for low-pressure, inductively coupled plasma (ICP) SF{sub 6}/O{sub 2}/Ar mixtures. This model is based on a set of mass balance equations for all the considered species, coupled with the discharge power balance equation and the charge neutrality condition. The present study is an extension of the kinetic global model previously developed for SF{sub 6}/Ar ICP plasma discharges [Lallement et al., Plasma Sources Sci. Technol. 18, 025001 (2009)]. It is focused on the study of the impact of the O{sub 2} addition to the SF{sub 6}/Ar gas mixture on the plasma kinetic properties. The simulation results show that the electron density increases with the %O{sub 2}, which is due to the decrease of the plasma electronegativity, while the electron temperature is almost constant in our pressure range. The density evolutions of atomic fluorine and oxygen versus %O{sub 2} have been analyzed. Those atomic radicals play an important role in the silicon etching process. The atomic fluorine density increases from 0 up to 40% O{sub 2} where it reaches a maximum. This is due to the enhancement of the SF{sub 6} dissociation processes and the production of fluorine through the reactions between SF{sub x} and O. This trend is experimentally confirmed. On the other hand, the simulation results show that O(3p) is the preponderant atomic oxygen. Its density increases with %O{sub 2} until reaching a maximum at almost 40% O{sub 2}. Over this value, its diminution with O{sub 2}% can be justified by the high increase in the loss frequency of O(3p) by electronic impact in comparison to its production frequency by electronic impact with O{sub 2}.

  2. Model Captures How Nitrogen Limitation Affects Hydrological Processes...

    Office of Science (SC) Website

    nitrogen cycles (CLM-CN), the carbon and water coupling in leaf-level photosynthetic ... speeding their growth and altering how they use water and interact with the climate. ...

  3. Improvement of Moist and Radiative Processes in Highly Parallel Atmospheric General Circulation Models: Validation and Development

    SciTech Connect (OSTI)

    Frank, William M.; Hack, James J.; Kiehl, Jeffrey T.

    1997-02-24

    Research on designing an integrated moist process parameterization package was carried. This work began with a study that coupled an ensemble of cloud models to a boundary layer model to examine the feasibility of such a methodology for linking boundary layer and cumulus parameterization schemes. The approach proved feasible, prompting research to design and evaluate a coupled parameterization package for GCMS. This research contributed to the development of an Integrated Cumulus Ensemble-Turbulence (ICET) parameterization package. This package incorporates a higher-order turbulence boundary layer that feeds information concerning updraft properties and the variances of temperature and water vapor to the cloud parameterizations. The cumulus ensemble model has been developed, and initial sensitivity tests have been performed in the single column model (SCM) version of CCM2. It is currently being coupled to a convective wake/gust front model. The major function of the convective wake/gust front model is to simulate the partitioning of the boundary layer into disturbed and undisturbed regions. A second function of this model is to predict the nonlinear enhancement of surface to air sensible heat and moisture fluxes that occur in convective regimes due to correlations between winds and anomalously cold, dry air from downdrafts in the gust front region. The third function of the convective wake/gust front model is to predict the amount of undisturbed boundary layer air lifted by the leading edge of the wake and the height to which this air is lifted. The development of the wake/gust front model has been completed, and it has done well in initial testing as a stand-alone component. The current task, to be completed by the end of the funding period, is to tie the wake model to a cumulus ensemble model and to install both components into the single column model version of CCM3 for evaluation. Another area of parametrization research has been focused on the representation

  4. Multi-Dimensional Electrochemical-Thermal Coupled Model of Large Format Cylindrical Lithium Ion Cells (Presentation)

    SciTech Connect (OSTI)

    Kim, G.-H.; Smith, K.

    2007-10-01

    Presentation on 3-D modeling of lithium-ion cells used in plug-in hyybrid electric vehicle batteries. 3-D models provide better understanding of cell design, operation, and management.

  5. Measurement and modeling of advanced coal conversion processes

    SciTech Connect (OSTI)

    Solomon, P.R.; Serio, M.A.; Hamblen, D.G. ); Smoot, L.D.; Brewster, B.S. )

    1992-01-01

    The overall objective of this program is the development of predictive capability for the design, scale up, simulation, control and feedstock evaluation in advanced coal conversion devices. This technology is important to reduce the technical and economic risks inherent in utilizing coal, a feedstock whose variable and often unexpected behavior presents a significant challenge. This program will merge significant advances made at Advanced Fuel Research, Inc. (AFR) in measuring and quantitatively describing the mechanisms in coal conversion behavior, with technology being developed at Brigham Young University (BYU) in comprehensive computer codes for mechanistic modeling of entrained-bed gasification. Additional capabilities in predicting pollutant formation will be implemented and the technology will be expanded to fixed-bed reactors. The foundation to describe coal-specific conversion behavior is AFR's Functional Group (FG) and Devolatilization, Vaporization and Crosslinking (DVC) models, developed under previous and on-going METC sponsored programs. These models have demonstrated the capability to describe the time dependent evolution of individual gas species, and the amount and characteristics of tar and char. The combined FG-DVC model will be integrated with BYU's comprehensive two-dimensional reactor model, PCGC-2, which is currently the most widely used reactor simulation for combustion or gasification. The program includes: (i) validation of the submodels by comparison with laboratory data obtained in this program, (ii) extensive validation of the modified comprehensive code by comparison of predicted results with data from bench-scale and process scale investigations of gasification, mild gasification and combustion of coal or coal-derived products in heat engines, and (iii) development of well documented user friendly software applicable to a workstation'' environment.

  6. Model operating permits for natural gas processing plants

    SciTech Connect (OSTI)

    Arend, C.

    1995-12-31

    Major sources as defined in Title V of the Clean Air Act Amendments of 1990 that are required to submit an operating permit application will need to: Evaluate their compliance status; Determine a strategic method of presenting the general and specific conditions of their Model Operating Permit (MOP); Maintain compliance with air quality regulations. A MOP is prepared to assist permitting agencies and affected facilities in the development of operating permits for a specific source category. This paper includes a brief discussion of example permit conditions that may be applicable to various types of Title V sources. A MOP for a generic natural gas processing plant is provided as an example. The MOP should include a general description of the production process and identify emission sources. The two primary elements that comprise a MOP are: Provisions of all existing state and/or local air permits; Identification of general and specific conditions for the Title V permit. The general provisions will include overall compliance with all Clean Air Act Titles. The specific provisions include monitoring, record keeping, and reporting. Although Title V MOPs are prepared on a case-by-case basis, this paper will provide a general guideline of the requirements for preparation of a MOP. Regulatory agencies have indicated that a MOP included in the Title V application will assist in preparation of the final permit provisions, minimize delays in securing a permit, and provide support during the public notification process.

  7. Atmospheric Properties from the 2006 Niamey Deployment and Climate Simulation with a Geodesic Grid Coupled Climate Model Third Quarter 2008

    SciTech Connect (OSTI)

    JH Mather; DA Randall; CJ Flynn

    2008-06-30

    In 2008, the Atmospheric Radiation Measurement (ARM) Program and the Climate Change Prediction Program (CCPP) have been asked to produce joint science metrics. For CCPP, the metrics will deal with a decade-long control simulation using geodesic grid-coupled climate model. For ARM, the metrics will deal with observations associated with the 2006 deployment of the ARM Mobile Facility (AMF) to Niamey, Niger. Specifically, ARM has been asked to deliver data products for Niamey that describe cloud, aerosol, and dust properties. This report describes the aerosol optical depth (AOD) product.

  8. From land use to land cover: Restoring the afforestation signal in a coupled integrated assessment - earth system model and the implications for CMIP5 RCP simulations

    SciTech Connect (OSTI)

    Di Vittorio, Alan; Chini, Louise M.; Bond-Lamberty, Benjamin; Mao, Jiafu; Shi, Xiaoying; Truesdale, John E.; Craig, Anthony P.; Calvin, Katherine V.; Jones, Andrew D.; Collins, William D.; Edmonds, James A.; Hurtt, George; Thornton, Peter E.; Thomson, Allison M.

    2014-11-27

    Climate projections depend on scenarios of fossil fuel emissions and land use change, and the IPCC AR5 parallel process assumes consistent climate scenarios across Integrated Assessment and Earth System Models (IAMs and ESMs). To facilitate consistency, CMIP5 used a novel land use harmonization to provide ESMs with seamless, 1500-2100 land use trajectories generated by historical data and four IAMs. However, we have identified and partially addressed a major gap in the CMIP5 land coupling design. The CMIP5 Community ESM (CESM) global afforestation is only 22% of RCP4.5 afforestation from 2005 to 2100. Likewise, only 17% of the Global Change Assessment Models (GCAMs) 2040 RCP4.5 afforestation signal, and none of the pasture loss, were transmitted to CESM within a newly integrated model. This is a critical problem because afforestation is necessary for achieving the RCP4.5 climate stabilization. We attempted to rectify this problem by modifying only the ESM component of the integrated model, enabling CESM to simulate 66% of GCAMs afforestation in 2040, and 94% of GCAMs pasture loss as grassland and shrubland losses. This additional afforestation increases vegetation carbon gain by 19 PgC and decreases atmospheric CO2 gain by 8 ppmv from 2005 to 2040, implying different climate scenarios between CMIP5 GCAM and CESM. Similar inconsistencies likely exist in other CMIP5 model results, primarily because land cover information is not shared between models, with possible contributions from afforestation exceeding model-specific, potentially viable forest area. Further work to harmonize land cover among models will be required to adequately rectify this problem.

  9. Rolling Process Modeling Report. Finite-Element Model Validation and Parametric Study on various Rolling Process parameters

    SciTech Connect (OSTI)

    Soulami, Ayoub; Lavender, Curt A.; Paxton, Dean M.; Burkes, Douglas

    2015-06-15

    Pacific Northwest National Laboratory (PNNL) has been investigating manufacturing processes for the uranium-10% molybdenum alloy plate-type fuel for high-performance research reactors in the United States. This work supports the U.S. Department of Energy National Nuclear Security Administration’s Office of Material Management and Minimization Reactor Conversion Program. This report documents modeling results of PNNL’s efforts to perform finite-element simulations to predict roll-separating forces for various rolling mill geometries for PNNL, Babcock & Wilcox Co., Y-12 National Security Complex, Los Alamos National Laboratory, and Idaho National Laboratory. The model developed and presented in a previous report has been subjected to further validation study using new sets of experimental data generated from a rolling mill at PNNL. Simulation results of both hot rolling and cold rolling of uranium-10% molybdenum coupons have been compared with experimental results. The model was used to predict roll-separating forces at different temperatures and reductions for five rolling mills within the National Nuclear Security Administration Fuel Fabrication Capability project. This report also presents initial results of a finite-element model microstructure-based approach to study the surface roughness at the interface between zirconium and uranium-10% molybdenum.

  10. Coupled ocean-atmosphere model system for studies of interannual-to-decadal climate variability over the North Pacific Basin and precipitation over the Southwestern United States

    SciTech Connect (OSTI)

    Lai, Chung-Chieng A.

    1997-10-01

    This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). The ultimate objective of this research project is to make understanding and predicting regional climate easier. The long-term goals of this project are (1) to construct a coupled ocean-atmosphere model (COAM) system, (2) use it to explore the interannual-to-decadal climate variability over the North Pacific Basin, and (3) determine climate effects on the precipitation over the Southwestern United States. During this project life, three major tasks were completed: (1) Mesoscale ocean and atmospheric model; (2) global-coupled ocean and atmospheric modeling: completed the coupling of LANL POP global ocean model with NCAR CCM2+ global atmospheric model; and (3) global nested-grid ocean modeling: designed the boundary interface for the nested-grid ocean models.

  11. Large-scale ocean-atmosphere interactions in a simplified coupled model of the midlatitude wintertime circulation

    SciTech Connect (OSTI)

    Miller, A.J. )

    1992-02-15

    Midlatitude ocean-atmosphere interactions are studied in simulations from a simplified coupled model that includes synoptic-scale atmospheric variability, ocean current advection of sea surface temperature (SST), and air-sea heat exchange. Although theoretical dynamical ([open quotes]identical twin[close quotes]) predictions using this model have shown that the SST anomalies in this model indeed influence the atmosphere, it is found here that standard cross-correlation and empirical orthogonal function analyses of monthly mean model output yield the standard result, familiar from observational studies, that the atmosphere forces the ocean with little or no feedback. Therefore, these analyses are inconclusive and leave open the question of whether anomalous SST is influencing the atmosphere. In contrast, the authors find that compositing strong warm events of model SST is a useful indicator of ocean forcing the atmosphere. The authors present additional evidence for oceanic influence on the atmosphere, namely, that ocean current advection appears to enhance the persistence of model SST anomalies through a feedback effect that is absent when only heat flux is allowed to influence SST anomaly evolution. Models with more complete physics must ultimately be used to conclusively demonstrate these results. 26 refs., 27 figs., 5 tabs.

  12. Coupled reactive mass transport and fluid flow: Issues in model verification

    SciTech Connect (OSTI)

    Freedman, Vicky L.; Ibaraki, Motomu

    2003-01-03

    Model verification and validation are both important steps in the development of reactive transport models. In this paper, a distinction is made between verification and validation, and the focus is on codifying the issues of verification for a numerical, reactive transport flow model. First, the conceptual basis of model verification is reviewed, which shows that verification should be understood as a first step in model development, and be followed by a protocol that assures that the model accurately represents system behavior. Second, commonly used procedures and methods of model verification are presented. In the third part of this paper, an intercomparison of models is used to demonstrate that model verification can be performed despite differences in hydrogeochemical transport code formulations. Results of an example simulation of transport are presented in which the numerical model is tested against other hydrogeochemical codes. Different kinetic formulations between solid and aqueous phases used among numerical models complicates model verification. This test problem involves uranium transport under conditions of varying pH and oxidation potential, with reversible precipitation of calcium uranate and coffinite. Results between the different hydrogeochemical transport codes show differences in oxidation potentials, but similarities in mineral assemblages and aqueous transport patterns. Because model verification can be further complicated by differences in the approach for solving redox problems, a comparison of a fugacity approach to both the external approach (based on hypothetical electron activity) and effective internal approach (based on conservation of electrons) is performed. The comparison demonstrates that the oxygen fugacity approach produces different redox potentials and mineral assemblages than both the effective internal and external approaches.

  13. Progress in coupling Land Ice and Ocean Models in the MPAS Framework...

    Office of Scientific and Technical Information (OSTI)

    Resource Relation: Conference: Community Earth System Model Land Ice Working Group Meeting ... Sponsoring Org: DOELANL Country of Publication: United States Language: English Subject: ...

  14. Adaptive model predictive process control using neural networks

    DOE Patents [OSTI]

    Buescher, Kevin L.; Baum, Christopher C.; Jones, Roger D.

    1997-01-01

    A control system for controlling the output of at least one plant process output parameter is implemented by adaptive model predictive control using a neural network. An improved method and apparatus provides for sampling plant output and control input at a first sampling rate to provide control inputs at the fast rate. The MPC system is, however, provided with a network state vector that is constructed at a second, slower rate so that the input control values used by the MPC system are averaged over a gapped time period. Another improvement is a provision for on-line training that may include difference training, curvature training, and basis center adjustment to maintain the weights and basis centers of the neural in an updated state that can follow changes in the plant operation apart from initial off-line training data.

  15. Adaptive model predictive process control using neural networks

    DOE Patents [OSTI]

    Buescher, K.L.; Baum, C.C.; Jones, R.D.

    1997-08-19

    A control system for controlling the output of at least one plant process output parameter is implemented by adaptive model predictive control using a neural network. An improved method and apparatus provides for sampling plant output and control input at a first sampling rate to provide control inputs at the fast rate. The MPC system is, however, provided with a network state vector that is constructed at a second, slower rate so that the input control values used by the MPC system are averaged over a gapped time period. Another improvement is a provision for on-line training that may include difference training, curvature training, and basis center adjustment to maintain the weights and basis centers of the neural in an updated state that can follow changes in the plant operation apart from initial off-line training data. 46 figs.

  16. National Environmental Policy Act guidance: A model process

    SciTech Connect (OSTI)

    Angle, B.M.; Lockhart, V.A.T.; Sema, B.; Tuott, L.C.; Irving, J.S.

    1995-04-01

    The ``Model National Environmental Policy Act (NEPA) Process`` includes: References to regulations, guidance documents, and plans; training programs; procedures; and computer databases. Legislative Acts and reference documents from Congress, US Department of Energy, and Lockheed Idaho Technologies Company provide the bases for conducting NEPA at the Idaho National Engineering Laboratory (INEL). Lockheed Idaho Technologies Company (LITCO) NEPA / Permitting Department, the Contractor Environmental Organization (CEO) is responsible for developing and maintaining LITCO NEPA and permitting policies, guidance, and procedures. The CEO develops procedures to conduct environmental evaluations based on NEPA, Council on Environmental Quality (CEQ) regulations, and DOE guidance. This procedure includes preparation or support of environmental checklists, categorical exclusion determinations, environmental assessment determinations, environmental assessments, and environmental impact statements. In addition, the CEO uses this information to train personnel conducting environmental evaluations at the INEL. Streamlining these procedures fosters efficient use of resources, quality documents, and better decisions on proposed actions.

  17. Development of Efficient Flowsheet and Transient Modeling for Nuclear Heat Coupled Sulfur Iodine Cyclefor Hydrogen Production

    SciTech Connect (OSTI)

    Shripad T. Revankar; Nicholas R. Brown; Cheikhou Kane; Seungmin Oh

    2010-05-01

    The realization of the hydrogen as an energy carrier for future power sources relies on a practical method of producing hydrogen in large scale with no emission of green house gases. Hydrogen is an energy carrier which can be produced by a thermochemical water splitting process. The Sulfur-Iodine (SI) process is an example of a water splitting method using iodine and sulfur as recycling agents.

  18. Product/Process (P/P) Models For The Defense Waste Processing Facility (DWPF): Model Ranges And Validation Ranges For Future Processing

    SciTech Connect (OSTI)

    Jantzen, C.; Edwards, T.

    2015-09-25

    Radioactive high level waste (HLW) at the Savannah River Site (SRS) has successfully been vitrified into borosilicate glass in the Defense Waste Processing Facility (DWPF) since 1996. Vitrification requires stringent product/process (P/P) constraints since the glass cannot be reworked once it is poured into ten foot tall by two foot diameter canisters. A unique “feed forward” statistical process control (SPC) was developed for this control rather than statistical quality control (SQC). In SPC, the feed composition to the DWPF melter is controlled prior to vitrification. In SQC, the glass product would be sampled after it is vitrified. Individual glass property-composition models form the basis for the “feed forward” SPC. The models transform constraints on the melt and glass properties into constraints on the feed composition going to the melter in order to guarantee, at the 95% confidence level, that the feed will be processable and that the durability of the resulting waste form will be acceptable to a geologic repository.

  19. Development of global sea ice 6.0 CICE configuration for the Met Office global coupled model

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Rae, J. . G. L; Hewitt, H. T.; Keen, A. B.; Ridley, J. K.; West, A. E.; Harris, C. M.; Hunke, E. C.; Walters, D. N.

    2015-03-05

    The new sea ice configuration GSI6.0, used in the Met Office global coupled configuration GC2.0, is described and the sea ice extent, thickness and volume are compared with the previous configuration and with observationally-based datasets. In the Arctic, the sea ice is thicker in all seasons than in the previous configuration, and there is now better agreement of the modelled concentration and extent with the HadISST dataset. In the Antarctic, a warm bias in the ocean model has been exacerbated at the higher resolution of GC2.0, leading to a large reduction in ice extent and volume; further work is requiredmore » to rectify this in future configurations.« less

  20. Development of global sea ice 6.0 CICE configuration for the Met Office global coupled model

    SciTech Connect (OSTI)

    Rae, J. . G. L; Hewitt, H. T.; Keen, A. B.; Ridley, J. K.; West, A. E.; Harris, C. M.; Hunke, E. C.; Walters, D. N.

    2015-03-05

    The new sea ice configuration GSI6.0, used in the Met Office global coupled configuration GC2.0, is described and the sea ice extent, thickness and volume are compared with the previous configuration and with observationally-based datasets. In the Arctic, the sea ice is thicker in all seasons than in the previous configuration, and there is now better agreement of the modelled concentration and extent with the HadISST dataset. In the Antarctic, a warm bias in the ocean model has been exacerbated at the higher resolution of GC2.0, leading to a large reduction in ice extent and volume; further work is required to rectify this in future configurations.

  1. Development of the global sea ice 6.0 CICE configuration for the Met Office global coupled model

    SciTech Connect (OSTI)

    Rae, J. G. L.; Hewitt, H. T.; Keen, A. B.; Ridley, J. K.; West, A. E.; Harris, C. M.; Hunke, E. C.; Walters, D. N.

    2015-07-24

    The new sea ice configuration GSI6.0, used in the Met Office global coupled configuration GC2.0, is described and the sea ice extent, thickness and volume are compared with the previous configuration and with observationally based data sets. In the Arctic, the sea ice is thicker in all seasons than in the previous configuration, and there is now better agreement of the modelled concentration and extent with the HadISST data set. As a result, in the Antarctic, a warm bias in the ocean model has been exacerbated at the higher resolution of GC2.0, leading to a large reduction in ice extent and volume; further work is required to rectify this in future configurations.

  2. Development of the global sea ice 6.0 CICE configuration for the Met Office global coupled model

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Rae, J. G. L.; Hewitt, H. T.; Keen, A. B.; Ridley, J. K.; West, A. E.; Harris, C. M.; Hunke, E. C.; Walters, D. N.

    2015-07-24

    The new sea ice configuration GSI6.0, used in the Met Office global coupled configuration GC2.0, is described and the sea ice extent, thickness and volume are compared with the previous configuration and with observationally based data sets. In the Arctic, the sea ice is thicker in all seasons than in the previous configuration, and there is now better agreement of the modelled concentration and extent with the HadISST data set. As a result, in the Antarctic, a warm bias in the ocean model has been exacerbated at the higher resolution of GC2.0, leading to a large reduction in ice extentmore » and volume; further work is required to rectify this in future configurations.« less

  3. Applicability of Related Data, Algorithms, and Models to the Simulation of Ground-Coupled Residential Hot Water Piping in California

    SciTech Connect (OSTI)

    Warner, J.L.; Lutz, J.D.

    2006-01-01

    Residential water heating is an important consideration in California?s building energy efficiency standard. Explicit treatment of ground-coupled hot water piping is one of several planned improvements to the standard. The properties of water, piping, insulation, backfill materials, concrete slabs, and soil, their interactions, and their variations with temperature and over time are important considerations in the required supporting analysis. Heat transfer algorithms and models devised for generalized, hot water distribution system, ground-source heat pump and ground heat exchanger, nuclear waste repository, buried oil pipeline, and underground electricity transmission cable applications can be adapted to the simulation of under-slab water piping. A numerical model that permits detailed examination of and broad variations in many inputs while employing a technique to conserve computer run time is recommended.

  4. Modeling Wettability Alteration using Chemical EOR Processes in Naturally Fractured Reservoirs

    SciTech Connect (OSTI)

    Mojdeh Delshad; Gary A. Pope; Kamy Sepehrnoori

    2007-09-30

    The objective of our search is to develop a mechanistic simulation tool by adapting UTCHEM to model the wettability alteration in both conventional and naturally fractured reservoirs. This will be a unique simulator that can model surfactant floods in naturally fractured reservoir with coupling of wettability effects on relative permeabilities, capillary pressure, and capillary desaturation curves. The capability of wettability alteration will help us and others to better understand and predict the oil recovery mechanisms as a function of wettability in naturally fractured reservoirs. The lack of a reliable simulator for wettability alteration means that either the concept that has already been proven to be effective in the laboratory scale may never be applied commercially to increase oil production or the process must be tested in the field by trial and error and at large expense in time and money. The objective of Task 1 is to perform a literature survey to compile published data on relative permeability, capillary pressure, dispersion, interfacial tension, and capillary desaturation curve as a function of wettability to aid in the development of petrophysical property models as a function of wettability. The new models and correlations will be tested against published data. The models will then be implemented in the compositional chemical flooding reservoir simulator, UTCHEM. The objective of Task 2 is to understand the mechanisms and develop a correlation for the degree of wettability alteration based on published data. The objective of Task 3 is to validate the models and implementation against published data and to perform 3-D field-scale simulations to evaluate the impact of uncertainties in the fracture and matrix properties on surfactant alkaline and hot water floods.

  5. Coupling scales for modelling heavy metal vaporization from municipal solid waste incineration in a fluid bed by CFD

    SciTech Connect (OSTI)

    Soria, José; Gauthier, Daniel; Flamant, Gilles; Rodriguez, Rosa; Mazza, Germán

    2015-09-15

    Highlights: • A CFD two-scale model is formulated to simulate heavy metal vaporization from waste incineration in fluidized beds. • MSW particle is modelled with the macroscopic particle model. • Influence of bed dynamics on HM vaporization is included. • CFD predicted results agree well with experimental data reported in literature. • This approach may be helpful for fluidized bed reactor modelling purposes. - Abstract: Municipal Solid Waste Incineration (MSWI) in fluidized bed is a very interesting technology mainly due to high combustion efficiency, great flexibility for treating several types of waste fuels and reduction in pollutants emitted with the flue gas. However, there is a great concern with respect to the fate of heavy metals (HM) contained in MSW and their environmental impact. In this study, a coupled two-scale CFD model was developed for MSWI in a bubbling fluidized bed. It presents an original scheme that combines a single particle model and a global fluidized bed model in order to represent the HM vaporization during MSW combustion. Two of the most representative HM (Cd and Pb) with bed temperatures ranging between 923 and 1073 K have been considered. This new approach uses ANSYS FLUENT 14.0 as the modelling platform for the simulations along with a complete set of self-developed user-defined functions (UDFs). The simulation results are compared to the experimental data obtained previously by the research group in a lab-scale fluid bed incinerator. The comparison indicates that the proposed CFD model predicts well the evolution of the HM release for the bed temperatures analyzed. It shows that both bed temperature and bed dynamics have influence on the HM vaporization rate. It can be concluded that CFD is a rigorous tool that provides valuable information about HM vaporization and that the original two-scale simulation scheme adopted allows to better represent the actual particle behavior in a fluid bed incinerator.

  6. A numerical test of KPZ scaling; Potts models coupled to two-dimensional quantum gravity

    SciTech Connect (OSTI)

    Baillie, C.F. , 91 - Nozay ); Johnston, D.A. . Dept. of Mathematics)

    1992-06-07

    In this paper, the authors perform Monte-Carlo simulations using the Wolff cluster algorithm of the q = 2 (Ising), 3, 4 and q = 10 Potts models on dynamical phi-cubed graphs of spherical topology with up to 5000 nodes. The authors find that the measured critical exponents are in reasonable agreement with those from the exact solution of the Ising model and with those calculated from KPZ scaling for q = 3, 4 where no exact solution is available. Using Binder's cumulant, the authors find that the q = 10 Potts model displays a first order phase transition on a dynamical graph, as it does on a fixed lattice. The authors also examine the internal geometry of the graphs generated in the simulation, finding a linear relationship between ring length probabilities and the central charge of the Potts model.

  7. LA-U I Los Atamos Report LA-UR-96-XXXX Modeling Partially Coupled

    Office of Scientific and Technical Information (OSTI)

    ... s t rength-model eos material fe; eo s-mode - 1 elzstic - perfectly - plastic; linear ... a1-6061 - t6 shear modulus 2.65e11; yield- 2.75e09; end - strength; ...

  8. Stimulation at Desert Peak -modeling with the coupled THM code FEHM

    SciTech Connect (OSTI)

    kelkar, sharad

    2013-04-30

    Numerical modeling of the 2011 shear stimulation at the Desert Peak well 27-15. This submission contains the FEHM executable code for a 64-bit PC Windows-7 machine, and the input and output files for the results presented in the included paper from ARMA-213 meeting.

  9. Stimulation at Desert Peak -modeling with the coupled THM code FEHM

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    kelkar, sharad

    Numerical modeling of the 2011 shear stimulation at the Desert Peak well 27-15. This submission contains the FEHM executable code for a 64-bit PC Windows-7 machine, and the input and output files for the results presented in the included paper from ARMA-213 meeting.

  10. ECIS-12, Coupled Channel, Statistical Model, Schroedinger and Dirac Equation, Dispersion Relation

    Energy Science and Technology Software Center (OSTI)

    2015-05-01

    Version 00 The ECIS code has been developed over a period of more the fifteen years, and several earlier versions exist. The statistical model part is based on ANLECIS, developed by P. Moldauer. There is no new formal report for ECIS06, but there is a “how to use” feature integrated into the program. See Abstract for more detailed information.