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. 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.

  17. 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.

  18. 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.

  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. 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.

  3. 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.

  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 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 ...

  10. 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 - ...

  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. 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.

  19. 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

  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. 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.

  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. )

    1991-09-25

    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)

  3. 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.

  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. 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 ...

  5. 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.

  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. 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.

  18. 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.

  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. 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

  15. 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.

  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. 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.

  6. 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.

  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. 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.

  9. 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.

  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. 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.

  2. 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.

  3. 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

  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.

  11. A Summary of Coupled, Uncoupled, and Hybrid Tectonic Models for the Yakima Fold Belt--Topical Report

    SciTech Connect (OSTI)

    Chamness, Michele A.; Winsor, Kelsey; Unwin, Stephen D.

    2012-08-01

    This document is one in a series of topical reports compiled by the Pacific Northwest National Laboratory to summarize technical information on selected topics important to the performance of a probabilistic seismic hazard analysis of the Hanford Site. The purpose of this report is to summarize the range of opinions and supporting information expressed by the expert community regarding whether a coupled or uncoupled model, or a combination of both, best represents structures in the Yakima Fold Belt. This issue was assessed to have a high level of contention with up to moderate potential for impact on the hazard estimate. This report defines the alternative conceptual models relevant to this technical issue and the arguments and data that support those models. It provides a brief description of the technical issue and principal uncertainties; a general overview on the nature of the technical issue, along with alternative conceptual models, supporting arguments and information, and uncertainties; and finally, suggests some possible approaches for reducing uncertainties regarding this issue.

  12. Coupled-channel model for K¯N scattering in the resonant region

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

    Fernández-Ramírez, Cesar; Danilkin, Igor V.; Manley, D. Mark; Mathieu, Vincent; Szczepaniak, Adam P.

    2016-02-18

    We present a unitary multichannel model for K¯N scattering in the resonance region that fulfills unitarity. It has the correct analytical properties for the amplitudes once they are extended to the complex-$s$ plane and the partial waves have the right threshold behavior. To determine the parameters of the model, we have fitted single-energy partial waves up to J = 7/2 and up to 2.15 GeV of energy in the center-of-mass reference frame obtaining the poles of the Λ* and Σ* resonances, which are compared to previous analyses. We provide the most comprehensive picture of the S = –1 hyperon spectrummore » to date. Here, important differences are found between the available analyses making the gathering of further experimental information on K¯N scattering mandatory to make progress in the assessment of the hyperon spectrum.« less

  13. Development of an equipment management model to improve effectiveness of processes

    SciTech Connect (OSTI)

    Chang, H. S.; Ju, T. Y.; Song, T. Y.

    2012-07-01

    The nuclear industries have developed and are trying to create a performance model to improve effectiveness of the processes implemented at nuclear plants in order to enhance performance. Most high performing nuclear stations seek to continually improve the quality of their operations by identifying and closing important performance gaps. Thus, many utilities have implemented performance models adjusted to their plant's configuration and have instituted policies for such models. KHNP is developing a standard performance model to integrate the engineering processes and to improve the inter-relation among processes. The model, called the Standard Equipment Management Model (SEMM), is under development first by focusing on engineering processes and performance improvement processes related to plant equipment used at the site. This model includes performance indicators for each process that can allow evaluating and comparing the process performance among 21 operating units. The model will later be expanded to incorporate cost and management processes. (authors)

  14. Improved atmosphere-ocean coupled modeling in the tropics for climate prediction

    SciTech Connect (OSTI)

    Zhang, Minghua

    2015-01-01

    We investigated the initial development of the double ITCZ in the Community Climate System Model (CCSM Version 3) in the central Pacific. Starting from a resting initial condition of the ocean in January, the model developed a warm bias of sea-surface temperature (SST) in the central Pacific from 5oS to 10oS in the first three months. We found this initial bias to be caused by excessive surface shortwave radiation that is also present in the standalone atmospheric model. The initial bias is further amplified by biases in both surface latent heat flux and horizontal heat transport in the upper ocean. These biases are caused by the responses of surface winds to SST bias and the thermocline structure to surface wind curls. We also showed that the warming biases in surface solar radiation and latent heat fluxes are seasonally offset by cooling biases from reduced solar radiation after the austral summer due to cloud responses and in the austral fall due to enhanced evaporation when the maximum SST is closest to the equator. The warming biases from the dynamic heat transport by ocean currents however stay throughout all seasons once they are developed, which are eventually balanced by enhanced energy exchange and penetration of solar radiation below the mixed layer. Our results also showed that the equatorial cold tongue develops after the warm biases in the south central Pacific, and the overestimation of surface shortwave radiation recurs in the austral summer in each year.

  15. Validation and quantification of uncertainty in coupled climate models using network analysis

    SciTech Connect (OSTI)

    Bracco, Annalisa

    2015-08-10

    We developed a fast, robust and scalable methodology to examine, quantify, and visualize climate patterns and their relationships. It is based on a set of notions, algorithms and metrics used in the study of graphs, referred to as complex network analysis. This approach can be applied to explain known climate phenomena in terms of an underlying network structure and to uncover regional and global linkages in the climate system, while comparing general circulation models outputs with observations. The proposed method is based on a two-layer network representation, and is substantially new within the available network methodologies developed for climate studies. At the first layer, gridded climate data are used to identify ‘‘areas’’, i.e., geographical regions that are highly homogeneous in terms of the given climate variable. At the second layer, the identified areas are interconnected with links of varying strength, forming a global climate network. The robustness of the method (i.e. the ability to separate between topological distinct fields, while identifying correctly similarities) has been extensively tested. It has been proved that it provides a reliable, fast framework for comparing and ranking the ability of climate models of reproducing observed climate patterns and their connectivity. We further developed the methodology to account for lags in the connectivity between climate patterns and refined our area identification algorithm to account for autocorrelation in the data. The new methodology based on complex network analysis has been applied to state-of-the-art climate model simulations that participated to the last IPCC (International Panel for Climate Change) assessment to verify their performances, quantify uncertainties, and uncover changes in global linkages between past and future projections. Network properties of modeled sea surface temperature and rainfall over 1956–2005 have been constrained towards observations or reanalysis data sets

  16. Atmospheric Properties from the 2006 Niamey Deployment and Climate Simulation with a Geodesic Grid Coupled Climate Model - First Quarter 2008

    SciTech Connect (OSTI)

    JH Mather; D Randall

    2007-12-30

    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. The first quarter milestone is initial formulation of the algorithm to produce and make available, new continuous time series of retrieved cloud , aerosol and dust properties, based on results from the ARM Mobile Facility deployment in Niger, Africa. The first quarter milestone has been achieved.

  17. Real-time global flood estimation using satellite-based precipitation and a coupled land surface and routing model

    SciTech Connect (OSTI)

    Wu, Huan; Adler, Robert F.; Tian, Yudong; Huffman, George J.; Li, Hongyi; Wang, JianJian

    2014-03-01

    A widely used land surface model, the Variable Infiltration Capacity (VIC) model, is coupled with a newly developed hierarchical dominant river tracing-based runoff-routing model to form the Dominant river tracing-Routing Integrated with VIC Environment (DRIVE) model, which serves as the new core of the real-time Global Flood Monitoring System (GFMS). The GFMS uses real-time satellite-based precipitation to derive flood monitoring parameters for the latitude band 50°N–50°S at relatively high spatial (~12 km) and temporal (3 hourly) resolution. Examples of model results for recent flood events are computed using the real-time GFMS (http://flood.umd.edu). To evaluate the accuracy of the new GFMS, the DRIVE model is run retrospectively for 15 years using both research-quality and real-time satellite precipitation products. Evaluation results are slightly better for the research-quality input and significantly better for longer duration events (3 day events versus 1 day events). Basins with fewer dams tend to provide lower false alarm ratios. For events longer than three days in areas with few dams, the probability of detection is ~0.9 and the false alarm ratio is ~0.6. In general, these statistical results are better than those of the previous system. Streamflow was evaluated at 1121 river gauges across the quasi-global domain. Validation using real-time precipitation across the tropics (30°S–30°N) gives positive daily Nash-Sutcliffe Coefficients for 107 out of 375 (28%) stations with a mean of 0.19 and 51% of the same gauges at monthly scale with a mean of 0.33. Finally, there were poorer results in higher latitudes, probably due to larger errors in the satellite precipitation input.

  18. Application of Gaussian Process Modeling to Analysis of Functional Unreliability

    SciTech Connect (OSTI)

    R. Youngblood

    2014-06-01

    This paper applies Gaussian Process (GP) modeling to analysis of the functional unreliability of a “passive system.” GPs have been used widely in many ways [1]. The present application uses a GP for emulation of a system simulation code. Such an emulator can be applied in several distinct ways, discussed below. All applications illustrated in this paper have precedents in the literature; the present paper is an application of GP technology to a problem that was originally analyzed [2] using neural networks (NN), and later [3, 4] by a method called “Alternating Conditional Expectations” (ACE). This exercise enables a multifaceted comparison of both the processes and the results. Given knowledge of the range of possible values of key system variables, one could, in principle, quantify functional unreliability by sampling from their joint probability distribution, and performing a system simulation for each sample to determine whether the function succeeded for that particular setting of the variables. Using previously available system simulation codes, such an approach is generally impractical for a plant-scale problem. It has long been recognized, however, that a well-trained code emulator or surrogate could be used in a sampling process to quantify certain performance metrics, even for plant-scale problems. “Response surfaces” were used for this many years ago. But response surfaces are at their best for smoothly varying functions; in regions of parameter space where key system performance metrics may behave in complex ways, or even exhibit discontinuities, response surfaces are not the best available tool. This consideration was one of several that drove the work in [2]. In the present paper, (1) the original quantification of functional unreliability using NN [2], and later ACE [3], is reprised using GP; (2) additional information provided by the GP about uncertainty in the limit surface, generally unavailable in other representations, is discussed

  19. One-dimensional time-dependent fluid model of a very high density low-pressure inductively coupled plasma

    SciTech Connect (OSTI)

    Chaplin, Vernon H.; Bellan, Paul M.

    2015-12-28

    A time-dependent two-fluid model has been developed to understand axial variations in the plasma parameters in a very high density (peak ne~ > 5x1019 m–3) argon inductively coupled discharge in a long 1.1 cm radius tube. The model equations are written in 1D, with radial losses to the tube walls accounted for by the inclusion of effective particle and energy sink terms. The ambipolar diffusion equation and electron energy equation are solved to find the electron density ne(z,t) and temperature Te(z,t), and the populations of the neutral argon 4s metastable, 4s resonant, and 4p excited state manifolds are calculated in order to determine the stepwise ionization rate and calculate radiative energy losses. The model has been validated through comparisons with Langmuir probe ion saturation current measurements; close agreement between the simulated and measured axial plasma density profiles and the initial density rise rate at each location was obtained at pAr = 30-60 mTorr. Lastly, we present detailed results from calculations at 60 mTorr, including the time-dependent electron temperature, excited state populations, and energy budget within and downstream of the radiofrequency (RF) antenna.

  20. One-dimensional time-dependent fluid model of a very high density low-pressure inductively coupled plasma

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

    Chaplin, Vernon H.; Bellan, Paul M.

    2015-12-28

    A time-dependent two-fluid model has been developed to understand axial variations in the plasma parameters in a very high density (peak ne~ > 5x1019 m–3) argon inductively coupled discharge in a long 1.1 cm radius tube. The model equations are written in 1D, with radial losses to the tube walls accounted for by the inclusion of effective particle and energy sink terms. The ambipolar diffusion equation and electron energy equation are solved to find the electron density ne(z,t) and temperature Te(z,t), and the populations of the neutral argon 4s metastable, 4s resonant, and 4p excited state manifolds are calculated inmore » order to determine the stepwise ionization rate and calculate radiative energy losses. The model has been validated through comparisons with Langmuir probe ion saturation current measurements; close agreement between the simulated and measured axial plasma density profiles and the initial density rise rate at each location was obtained at pAr = 30-60 mTorr. Lastly, we present detailed results from calculations at 60 mTorr, including the time-dependent electron temperature, excited state populations, and energy budget within and downstream of the radiofrequency (RF) antenna.« less

  1. The impact of equilibrating hemispheric albedos on tropical performance in the HadGEM2-ES coupled climate model

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

    Haywood, Jim M.; Jones, Andy; Dunstone, Nick; Milton, Sean; Vellinga, Michael; Bodas-Salcedo, Alejandro; Hawcroft, Matt; Kravitz, Ben; Cole, Jason; Watanabe, Shingo; et al

    2016-01-14

    The Earth's hemispheric reflectances are equivalent to within ± 0.2 Wm–2, even though the Northern Hemisphere contains a greater proportion of higher reflectance land areas, because of greater cloud cover in the Southern Hemisphere. This equivalence is unlikely to be by chance, but the reasons are open to debate. Here we show that equilibrating hemispheric albedos in the Hadley Centre Global Environment Model version 2-Earth System coupled climate model significantly improves what have been considered longstanding and apparently intractable model biases. Monsoon precipitation biases over all continental land areas, the penetration of monsoon rainfall across the Sahel, the West Africanmore » monsoon “jump”, and indicators of hurricane frequency are all significantly improved. Mechanistically, equilibrating hemispheric albedos improves the atmospheric cross-equatorial energy transport and increases the supply of tropical atmospheric moisture to the Hadley cell. Furthermore, we conclude that an accurate representation of the cross-equatorial energy transport appears to be critical if tropical performance is to be improved.« less

  2. Finite element modeling of magnetic compression using coupled electromagnetic-structural codes

    SciTech Connect (OSTI)

    Hainsworth, G.; Leonard, P.J.; Rodger, D.; Leyden, C.

    1996-05-01

    A link between the electromagnetic code, MEGA, and the structural code, DYNA3D has been developed. Although the primary use of this is for modelling of Railgun components, it has recently been applied to a small experimental Coilgun at Bath. The performance of Coilguns is very dependent on projectile material conductivity, and so high purity aluminium was investigated. However, due to its low strength, it is crushed significantly by magnetic compression in the gun. Although impractical as a real projectile material, this provides useful benchmark experimental data on high strain rate plastic deformation caused by magnetic forces. This setup is equivalent to a large scale version of the classic jumping ring experiment, where the ring jumps with an acceleration of 40 kG.

  3. INTEGRATED PROCESS GAS MODELING FOR TRITIUM SYSTEMS AT THE SAVANNAH RIVER SITE

    SciTech Connect (OSTI)

    Hang, T; Anita Poore, A

    2007-08-30

    Significant savings are being realized from the consolidated tritium gas-processing operations at the Savannah River Site. However, the trade-off is some reduction of operational flexibility due to decreased storage capacity for process and waste gases. Savannah River National Laboratory researchers are developing an integrated process gas model for tritium processing using Aspen Custom Modeler{trademark} (ACM) software. The modeling involves fully characterizing process flow streams (gas composition, quantity), frequency of batch transfers, and availability of equipment in the flow stream. The model provides a valuable engineering tool to identify flow bottlenecks, thereby enabling adjustments to be made to improve process operations.

  4. One-way coupling of an integrated assessment model and a water resources model: evaluation and implications of future changes over the US Midwest

    SciTech Connect (OSTI)

    Voisin, Nathalie; Liu, Lu; Hejazi, Mohamad I.; Tesfa, Teklu K.; Li, Hongyi; Huang, Maoyi; Liu, Ying; Leung, Lai-Yung R.

    2013-11-18

    An integrated model is being developed to advance our understanding of the interactions between human activities, terrestrial system and water cycle, and how system interactions will be affected by a changing climate at the regional scale. As a first step towards that goal, a global integrated assessment model including a waterdemand model is coupled offline with a land surface hydrology routing water resources management model. A spatial and temporal disaggregation approach is developed to project the annual regional water demand simulations into a daily time step and subbasin representation. The model demonstrated reasonable ability to represent the historical flow regulation and water supply over the Midwest (Missouri, Upper Mississippi and Ohio). Implications for the future flow regulation, water supply and supply deficit are investigated using a climate change projection with the B1 emission scenario which affects both natural flow and water demand. Over the Midwest, changes in flow regulation are mostly driven by the change in natural flow due to the limited storage capacity over the Ohio and Upper Mississippi river basins. The changes in flow and demand have a combined effect on the Missouri Summer regulated flow. The supply deficit tends to be driven by the change in flow over the region. Spatial analysis demonstrates the relationship between the supply deficit and the change in demand over urban areas not along a main river or with limited storage, and over areas upstream of groundwater dependent fields with therefore overestimated demand.

  5. Modeling of coupled thermodynamic and geomechanical performance of underground compressed air energy storage (CAES) in lined rock caverns

    SciTech Connect (OSTI)

    Rutqvist, J.; Kim, H. -M.; Ryu, D. -W.; Synn, J. -H.; Song, W. -K.

    2012-02-01

    We applied coupled nonisothermal, multiphase fluid flow and geomechanical numerical modeling to study the coupled thermodynamic and geomechanical performance of underground compressed air energy storage (CAES) in concrete-lined rock caverns. The paper focuses on CAES in lined caverns at relatively shallow depth (e.g., 100 m depth) in which a typical CAES operational pressure of 5 to 8 MPa is significantly higher than both ambient fluid pressure and in situ stress. We simulated a storage operation that included cyclic compression and decompression of air in the cavern, and investigated how pressure, temperature and stress evolve over several months of operation. We analyzed two different lining options, both with a 50 cm thick low permeability concrete lining, but in one case with an internal synthetic seal such as steel or rubber. For our simulated CAES system, the thermodynamic analysis showed that 96.7% of the energy injected during compression could be recovered during subsequent decompression, while 3.3% of the energy was lost by heat conduction to the surrounding media. Our geomechanical analysis showed that tensile effective stresses as high as 8 MPa could develop in the lining as a result of the air pressure exerted on the inner surface of the lining, whereas thermal stresses were relatively smaller and compressive. With the option of an internal synthetic seal, the maximum effective tensile stress was reduced from 8 to 5 MPa, but was still in substantial tension. We performed one simulation in which the tensile tangential stresses resulted in radial cracks and air leakage though the lining. This air leakage, however, was minor (about 0.16% of the air mass loss from one daily compression) in terms of CAES operational efficiency, and did not significantly impact the overall energy balance of the system. However, despite being minor in terms of energy balance, the air leakage resulted in a distinct pressure increase in the surrounding rock that could be

  6. Ductile Tearing of Thin Aluminum Plates Under Blast Loading. Predictions with Fully Coupled Models and Biaxial Material Response Characterization

    SciTech Connect (OSTI)

    Corona, Edmundo; Gullerud, Arne S.; Haulenbeek, Kimberly K.; Reu, Phillip L.

    2015-06-01

    The work presented in this report concerns the response and failure of thin 2024- T3 aluminum alloy circular plates to a blast load produced by the detonation of a nearby spherical charge. The plates were fully clamped around the circumference and the explosive charge was located centrally with respect to the plate. The principal objective was to conduct a numerical model validation study by comparing the results of predictions to experimental measurements of plate deformation and failure for charges with masses in the vicinity of the threshold between no tearing and tearing of the plates. Stereo digital image correlation data was acquired for all tests to measure the deflection and strains in the plates. The size of the virtual strain gage in the measurements, however, was relatively large, so the strain measurements have to be interpreted accordingly as lower bounds of the actual strains in the plate and of the severity of the strain gradients. A fully coupled interaction model between the blast and the deflection of the structure was considered. The results of the validation exercise indicated that the model predicted the deflection of the plates reasonably accurately as well as the distribution of strain on the plate. The estimation of the threshold charge based on a critical value of equivalent plastic strain measured in a bulge test, however, was not accurate. This in spite of efforts to determine the failure strain of the aluminum sheet under biaxial stress conditions. Further work is needed to be able to predict plate tearing with some degree of confidence. Given the current technology, at least one test under the actual blast conditions where the plate tears is needed to calibrate the value of equivalent plastic strain when failure occurs in the numerical model. Once that has been determined, the question of the explosive mass value at the threshold could be addressed with more confidence.

  7. Multi-century Changes to Global Climate and Carbon Cycle: Results from a Coupled Climate and Carbon Cycle Model

    SciTech Connect (OSTI)

    Bala, G; Caldeira, K; Mirin, A; Wickett, M; Delire, C

    2005-02-17

    In this paper, we use a coupled climate and carbon cycle model to investigate the global climate and carbon cycle changes out to year 2300 that would occur if CO{sub 2} emissions from all the currently estimated fossil fuel resources were released to the atmosphere. By year 2300, the global climate warms by about 8 K and atmospheric CO{sub 2} reaches 1423 ppmv. The warming is higher than anticipated because the sensitivity to radiative forcing increases as the simulation progresses. In our simulation, the rate of emissions peak at over 30 PgC yr{sup -1} early in the 22nd century. Even at year 2300, nearly 50% of cumulative emissions remain in the atmosphere. In our simulations both soils and living biomass are net carbon sinks throughout the simulation. Despite having relatively low climate sensitivity and strong carbon uptake by the land biosphere, our model projections suggest severe long-term consequences for global climate if all the fossil-fuel carbon is ultimately released to the atmosphere.

  8. Automotive Underhood Thermal Management Analysis Using 3-D Coupled Thermal-Hydrodynamic Computer Models: Thermal Radiation Modeling

    SciTech Connect (OSTI)

    Pannala, S; D'Azevedo, E; Zacharia, T

    2002-02-26

    The goal of the radiation modeling effort was to develop and implement a radiation algorithm that is fast and accurate for the underhood environment. As part of this CRADA, a net-radiation model was chosen to simulate radiative heat transfer in an underhood of a car. The assumptions (diffuse-gray and uniform radiative properties in each element) reduce the problem tremendously and all the view factors for radiation thermal calculations can be calculated once and for all at the beginning of the simulation. The cost for online integration of heat exchanges due to radiation is found to be less than 15% of the baseline CHAD code and thus very manageable. The off-line view factor calculation is constructed to be very modular and has been completely integrated to read CHAD grid files and the output from this code can be read into the latest version of CHAD. Further integration has to be performed to accomplish the same with STAR-CD. The main outcome of this effort is to obtain a highly scalable and portable simulation capability to model view factors for underhood environment (for e.g. a view factor calculation which took 14 hours on a single processor only took 14 minutes on 64 processors). The code has also been validated using a simple test case where analytical solutions are available. This simulation capability gives underhood designers in the automotive companies the ability to account for thermal radiation - which usually is critical in the underhood environment and also turns out to be one of the most computationally expensive components of underhood simulations. This report starts off with the original work plan as elucidated in the proposal in section B. This is followed by Technical work plan to accomplish the goals of the project in section C. In section D, background to the current work is provided with references to the previous efforts this project leverages on. The results are discussed in section 1E. This report ends with conclusions and future scope of

  9. APEX - a Petri net process modeling tool built on a discrete-event simulation system

    SciTech Connect (OSTI)

    Gish, J.W.

    1996-12-31

    APEX, the Animated Process Experimentation tool, provides a capability for defining, simulating and animating process models. Primarily constructed for the modeling and analysis of software process models, we have found that APEX is much more broadly applicable and is suitable for process modeling tasks outside the domain of software processes. APEX has been constructed as a library of simulation blocks that implement timed hierarchical colored Petri Nets. These Petri Net blocks operate in conjunction with EXTEND, a general purpose continuous and discrete-event simulation tool. EXTEND provides a flexible, powerful and extensible environment with features particularly suitable for the modeling of complex processes. APEX`s Petri Net block additions to EXTEND provide an inexpensive capability with well-defined and easily understood semantics that is a powerful, easy to use, flexible means to engage in process modeling and evaluation. The vast majority of software process research has focused on the enactment of software processes. Little has been said about the actual creation and evaluation of software process models necessary to support enactment. APEX has been built by the Software Engineering Process Technology Project at GTE Laboratories which has been focusing on this neglected area of process model definition and analysis. We have constructed high-level software lifecycle models, a set of models that demonstrate differences between four levels of the SEI Capability Maturity Model (CMM), customer care process models, as well as models involving more traditional synchronization and coordination problems such as producer-consumer and 2-phase commit. APEX offers a unique blend of technology from two different disciplines: discrete-event simulation and Petri Net modeling. Petri Nets provide a well-defined and rich semantics in a simple, easy to understand notation. The simulation framework allows for execution, animation, and measurement of the resultant models.

  10. Application of an online-coupled regional climate model, WRF-CAM5, over East Asia for examination of ice nucleation schemes: Part I. Comprehensive model evaluation and trend analysis for 2006 and 2011

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

    Chen, Ying; Zhang, Yang; Fan, Jiwen; Leung, Lai -Yung; Zhang, Qiang; He, Kebin

    2015-08-18

    Online-coupled climate and chemistry models are necessary to realistically represent the interactions between climate variables and chemical species and accurately simulate aerosol direct and indirect effects on cloud, precipitation, and radiation. In this Part I of a two-part paper, simulations from the Weather Research and Forecasting model coupled with the physics package of Community Atmosphere Model (WRF-CAM5) are conducted with the default heterogeneous ice nucleation parameterization over East Asia for two full years: 2006 and 2011. A comprehensive model evaluation is performed using satellite and surface observations. The model shows an overall acceptable performance for major meteorological variables at themore » surface and in the boundary layer, as well as column variables (e.g., precipitation, cloud fraction, precipitating water vapor, downward longwave and shortwave radiation). Moderate to large biases exist for cloud condensation nuclei over oceanic areas, cloud variables (e.g., cloud droplet number concentration, cloud liquid and ice water paths, cloud optical depth, longwave and shortwave cloud forcing). These biases indicate a need to improve the model treatments for cloud processes, especially cloud droplets and ice nucleation, as well as to reduce uncertainty in the satellite retrievals. The model simulates well the column abundances of chemical species except for column SO2 but relatively poor for surface concentrations of several species such as CO, NO2, SO2, PM2.5, and PM10. Several reasons could contribute to the underestimation of major chemical species in East Asia including underestimations of anthropogenic emissions and natural dust emissions, uncertainties in the spatial and vertical distributions of the anthropogenic emissions, as well as biases in meteorological, radiative, and cloud predictions. Despite moderate to large biases in the chemical predictions, the model performance is generally consistent with or even better than that

  11. Application of an online-coupled regional climate model, WRF-CAM5, over East Asia for examination of ice nucleation schemes: Part I. Comprehensive model evaluation and trend analysis for 2006 and 2011

    SciTech Connect (OSTI)

    Chen, Ying; Zhang, Yang; Fan, Jiwen; Leung, Lai -Yung; Zhang, Qiang; He, Kebin

    2015-08-18

    Online-coupled climate and chemistry models are necessary to realistically represent the interactions between climate variables and chemical species and accurately simulate aerosol direct and indirect effects on cloud, precipitation, and radiation. In this Part I of a two-part paper, simulations from the Weather Research and Forecasting model coupled with the physics package of Community Atmosphere Model (WRF-CAM5) are conducted with the default heterogeneous ice nucleation parameterization over East Asia for two full years: 2006 and 2011. A comprehensive model evaluation is performed using satellite and surface observations. The model shows an overall acceptable performance for major meteorological variables at the surface and in the boundary layer, as well as column variables (e.g., precipitation, cloud fraction, precipitating water vapor, downward longwave and shortwave radiation). Moderate to large biases exist for cloud condensation nuclei over oceanic areas, cloud variables (e.g., cloud droplet number concentration, cloud liquid and ice water paths, cloud optical depth, longwave and shortwave cloud forcing). These biases indicate a need to improve the model treatments for cloud processes, especially cloud droplets and ice nucleation, as well as to reduce uncertainty in the satellite retrievals. The model simulates well the column abundances of chemical species except for column SO2 but relatively poor for surface concentrations of several species such as CO, NO2, SO2, PM2.5, and PM10. Several reasons could contribute to the underestimation of major chemical species in East Asia including underestimations of anthropogenic emissions and natural dust emissions, uncertainties in the spatial and vertical distributions of the anthropogenic emissions, as well as biases in meteorological, radiative, and cloud predictions. Despite moderate to large biases in the chemical predictions, the model performance is

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

    Office of Scientific and Technical Information (OSTI)

    The goal of this project is to produce accurate, consistent and comprehensive data sets ... (NCEP) and has been implemented in the Weather Research and Forecast (WRF) model. ...

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

    SciTech Connect (OSTI)

    JH Mather; DA Randall; CJ Flynn

    2008-09-30

    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. The first quarter milestone was the initial formulation of the algorithm for retrieval of these properties. The second quarter milestone included the time series of ARM-retrieved cloud properties and a year-long CCPP control simulation. The third quarter milestone included the time series of ARM-retrieved aerosol optical depth and a three-year CCPP control simulation. This final fourth quarter milestone includes the time-series of aerosol and dust properties and a decade-long CCPP control simulation.

  14. Direct in situ measurement of coupled magnetostructural evolution in a ferromagnetic shape memory alloy and its theoretical modeling

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

    Pramanick, Abhijit; Shapiro, Steve M.; Glavic, Artur; Samolyuk, German; Aczel, Adam A.; Lauter, Valeria; Ambaye, Haile; Gai, Zheng; Ma, Jie; Stoica, Alexandru D.; et al

    2015-10-14

    In this study, ferromagnetic shape memory alloys (FSMAs) have shown great potential as active components in next generation smart devices due to their exceptionally large magnetic-field-induced strains and fast response times. During application of magnetic fields in FSMAs, as is common in several magnetoelastic smart materials, there occurs simultaneous rotation of magnetic moments and reorientation of twin variants, resolving which, although critical for design of new materials and devices, has been difficult to achieve quantitatively with current characterization methods. At the same time, theoretical modeling of these phenomena also faced limitations due to uncertainties in values of physical properties suchmore » as magnetocrystalline anisotropy energy (MCA), especially for off-stoichiometric FSMA compositions. Here, in situ polarized neutron diffraction is used to measure directly the extents of both magnetic moments rotation and crystallographic twin-reorientation in an FSMA single crystal during the application of magnetic fields. Additionally, high-resolution neutron scattering measurements and first-principles calculations based on fully relativistic density functional theory are used to determine accurately the MCA for the compositionally disordered alloy of Ni2Mn1.14Ga0.86. The results from these state-of-the-art experiments and calculations are self-consistently described within a phenomenological framework, which provides quantitative insights into the energetics of magnetostructural coupling in FSMAs. Based on the current model, the energy for magnetoelastic twin boundaries propagation for the studied alloy is estimated to be ~150kJ/m3.« less

  15. CFD Modeling of Thermal Effects of Nuclear Waste Vitrification Processes

    SciTech Connect (OSTI)

    Rayner, Chris; Soltani, Mehdi; Barringer, Chris; Knight, Kelly

    2006-07-01

    The Waste Treatment Plant (WTP) at Hanford, WA will vitrify nuclear waste stored at the DOE Hanford facility. The vitrification process will take place in two large concrete buildings where the glass is poured into stainless steel canisters or containers and allowed to cool. Computational Fluid Dynamics (CFD) was used extensively to calculate the effects of the heat released by molten glass as it is poured and cooled, on the HVAC system and the building structure. CFD studies of the glass cooling in these facilities were used to predict canister temperatures, HVAC air temperatures, concrete temperatures and insulation requirements, and design temperatures for canister handling equipment and instrumentation at various stages of the process. These predictions provided critical input in the design of the HVAC system, specification of insulation, the design of canister handling equipment, and the selection of instrumentation. (authors)

  16. Modelling aging effects on a thermal cycling absorption process column

    SciTech Connect (OSTI)

    Laquerbe, C.; Contreras, S.; Demoment, J.

    2008-07-15

    Palladium coated on alumina is used in hydrogen separation systems operated at CEA/Valduc, and more particularly in Thermal Cycling Absorption Process columns. With such materials, tritium decay is known to induce aging effects which have direct side effects on hydrogen isotopes absorption isotherms. Furthermore in a TCAP column, aging occurs in an heterogeneous way. The possible impacts of these intrinsic material evolutions on the separation performances are investigated here through a numerical approach. (authors)

  17. Optimization of a coupling scheme between MCNP5 and SUBCHANFLOW for high fidelity modeling of LWR reactors

    SciTech Connect (OSTI)

    Ivanov, A.; Sanchez, V.; Imke, U.; Ivanov, K.

    2012-07-01

    In order to increase the accuracy and the degree of spatial resolution of core design studies, coupled Three-Dimensional (3D) neutronics (deterministic and Monte Carlo) and 3D thermal hydraulics (CFD and sub-channel) codes are being developed worldwide. In this paper the optimization of a coupling between MCNP5 code and an in-house development thermal-hydraulics code SUBCHANFLOW is presented. Various improvements of the coupling methodology are presented. With the help of novel interpolation tool a consistent methodology for the preparation of thermal scattering data library have been developed, ensuring that inelastic scattering from bound nuclei is treated at the correct moderator temperature. Trough the utilization of a hybrid coupling with discrete energy Monte-Carlo code KENO a methodology for acceleration of the coupled calculation is being demonstrated. In this approach an additional coupling between KENO and SUBCHANFLOW was developed, the converged results of which are used as initial conditions for the MCNP-SUBCHANFLOW coupling. Acceleration of fission source distribution convergence, by sampling fission source distribution from the power distribution obtained by KENO is also demonstrated. (authors)

  18. Helix coupling

    DOE Patents [OSTI]

    Ginell, W.S.

    1982-03-17

    A coupling for connecting helix members in series, which consists of a pair of U-shaped elements, one of which is attached to each helix end with the U sections of the elements interlocked. The coupling is particularly beneficial for interconnecting helical Nitinol elements utilized in thermal actuators or engines. Each coupling half is attached to the associated helix at two points, thereby providing axial load while being easily removed from the helix, and reusable.

  19. Helix coupling

    DOE Patents [OSTI]

    Ginell, William S.

    1989-04-25

    A coupling for connecting helix members in series, which consists of a pair of U-shaped elements, one of which is attached to each helix end with the "U" sections of the elements interlocked. The coupling is particularly beneficial for interconnecting helical Nitinol elements utilized in thermal actuators or engines. Each coupling half is attached to the associated helix at two points, thereby providing axial load while being easily removed from the helix, and reusable.

  20. 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. Brigham Young Univ., Provo, UT )

    1991-01-01

    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 program will merge significant advances made in measuring and quantitatively describing the mechanisms in coal conversion behavior. 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.

  1. Process-scale modeling of elevated wintertime ozone in Wyoming.

    SciTech Connect (OSTI)

    Kotamarthi, V. R.; Holdridge, D. J.; Environmental Science Division

    2007-12-31

    Measurements of meteorological variables and trace gas concentrations, provided by the Wyoming Department of Environmental Quality for Daniel, Jonah, and Boulder Counties in the state of Wyoming, were analyzed for this project. The data indicate that highest ozone concentrations were observed at temperatures of -10 C to 0 C, at low wind speeds of about 5 mph. The median values for nitrogen oxides (NOx) during these episodes ranged between 10 ppbv and 20 ppbv (parts per billion by volume). Measurements of volatile organic compounds (VOCs) during these periods were insufficient for quantitative analysis. The few available VOCs measurements indicated unusually high levels of alkanes and aromatics and low levels of alkenes. In addition, the column ozone concentration during one of the high-ozone episodes was low, on the order of 250 DU (Dobson unit) as compared to a normal column ozone concentration of approximately 300-325 DU during spring for this region. Analysis of this observation was outside the scope of this project. The data analysis reported here was used to establish criteria for making a large number of sensitivity calculations through use of a box photochemical model. Two different VOCs lumping schemes, RACM and SAPRC-98, were used for the calculations. Calculations based on this data analysis indicated that the ozone mixing ratios are sensitive to (a) surface albedo, (b) column ozone, (c) NOx mixing ratios, and (d) available terminal olefins. The RACM model showed a large response to an increase in lumped species containing propane that was not reproduced by the SAPRC scheme, which models propane as a nearly independent species. The rest of the VOCs produced similar changes in ozone in both schemes. In general, if one assumes that measured VOCs are fairly representative of the conditions at these locations, sufficient precursors might be available to produce ozone in the range of 60-80 ppbv under the conditions modeled.

  2. Developing Fully Coupled Dynamical Reactor Core Isolation System Models in RELAP-7 for Extended Station Black-Out Analysis

    SciTech Connect (OSTI)

    Haihua Zhao; Ling Zou; Hongbin Zhang; David Andrs; Richard Martineau

    2014-04-01

    The reactor core isolation cooling (RCIC) system in a boiling water reactor (BWR) provides makeup water to the reactor vessel for core cooling when the main steam lines are isolated and the normal supply of water to the reactor vessel is lost. It was one of the very few safety systems still available during the Fukushima Daiichi accidents after the tsunamis hit the plants and the system successfully delayed the core meltdown for a few days for unit 2 & 3. Therefore, detailed models for RCIC system components are indispensable to understand extended station black-out accidents (SBO) for BWRs. As part of the effort to develop the new generation reactor system safety analysis code RELAP-7, major components to simulate the RCIC system have been developed. This paper describes the models for those components such as turbine, pump, and wet well. Selected individual component test simulations and a simplified SBO simulation up to but before core damage is presented. The successful implementation of the simplified RCIC and wet well models paves the way to further improve the models for safety analysis by including more detailed physical processes in the near future.

  3. Modeling basin- and plume-scale processes of CO2 storage for full-scale deployment

    SciTech Connect (OSTI)

    Zhou, Q.; Birkholzer, J.T.; Mehnert, E.; Lin, Y.-F.; Zhang, K.

    2009-08-15

    Integrated modeling of basin- and plume-scale processes induced by full-scale deployment of CO{sub 2} storage was applied to the Mt. Simon Aquifer in the Illinois Basin. A three-dimensional mesh was generated with local refinement around 20 injection sites, with approximately 30 km spacing. A total annual injection rate of 100 Mt CO{sub 2} over 50 years was used. The CO{sub 2}-brine flow at the plume scale and the single-phase flow at the basin scale were simulated. Simulation results show the overall shape of a CO{sub 2} plume consisting of a typical gravity-override subplume in the bottom injection zone of high injectivity and a pyramid-shaped subplume in the overlying multilayered Mt. Simon, indicating the important role of a secondary seal with relatively low-permeability and high-entry capillary pressure. The secondary-seal effect is manifested by retarded upward CO{sub 2} migration as a result of multiple secondary seals, coupled with lateral preferential CO{sub 2} viscous fingering through high-permeability layers. The plume width varies from 9.0 to 13.5 km at 200 years, indicating the slow CO{sub 2} migration and no plume interference between storage sites. On the basin scale, pressure perturbations propagate quickly away from injection centers, interfere after less than 1 year, and eventually reach basin margins. The simulated pressure buildup of 35 bar in the injection area is not expected to affect caprock geomechanical integrity. Moderate pressure buildup is observed in Mt. Simon in northern Illinois. However, its impact on groundwater resources is less than the hydraulic drawdown induced by long-term extensive pumping from overlying freshwater aquifers.

  4. What is the importance of climate model bias when projecting the impacts of climate change on land surface processes?

    SciTech Connect (OSTI)

    Liu, M. L.; Rajagopalan, K.; Chung, S. H.; Jiang, X.; Harrison, J. H.; Nergui, T.; Guenther, Alex B.; Miller, C.; Reyes, J.; Tague, C. L.; Choate, J. S.; Salathe, E.; Stockle, Claudio O.; Adam, J. C.

    2014-05-16

    Regional climate change impact (CCI) studies have widely involved downscaling and bias-correcting (BC) Global Climate Model (GCM)-projected climate for driving land surface models. However, BC may cause uncertainties in projecting hydrologic and biogeochemical responses to future climate due to the impaired spatiotemporal covariance of climate variables and a breakdown of physical conservation principles. Here we quantify the impact of BC on simulated climate-driven changes in water variables(evapotranspiration, ET; runoff; snow water equivalent, SWE; and water demand for irrigation), crop yield, biogenic volatile organic compounds (BVOC), nitric oxide (NO) emissions, and dissolved inorganic nitrogen (DIN) export over the Pacific Northwest (PNW) Region. We also quantify the impacts on net primary production (NPP) over a small watershed in the region (HJ Andrews). Simulation results from the coupled ECHAM5/MPI-OM model with A1B emission scenario were firstly dynamically downscaled to 12 km resolutions with WRF model. Then a quantile mapping based statistical downscaling model was used to downscale them into 1/16th degree resolution daily climate data over historical and future periods. Two series climate data were generated according to the option of bias-correction (i.e. with bias-correction (BC) and without bias-correction, NBC). Impact models were then applied to estimate hydrologic and biogeochemical responses to both BC and NBC meteorological datasets. These im20 pact models include a macro-scale hydrologic model (VIC), a coupled cropping system model (VIC-CropSyst), an ecohydrologic model (RHESSys), a biogenic emissions model (MEGAN), and a nutrient export model (Global-NEWS). Results demonstrate that the BC and NBC climate data provide consistent estimates of the climate-driven changes in water fluxes (ET, runoff, and water demand), VOCs (isoprene and monoterpenes) and NO emissions, mean crop yield, and river DIN export over the PNW domain. However

  5. The application of neural networks with artificial intelligence technique in the modeling of industrial processes

    SciTech Connect (OSTI)

    Saini, K. K.; Saini, Sanju

    2008-10-07

    Neural networks are a relatively new artificial intelligence technique that emulates the behavior of biological neural systems in digital software or hardware. These networks can 'learn', automatically, complex relationships among data. This feature makes the technique very useful in modeling processes for which mathematical modeling is difficult or impossible. The work described here outlines some examples of the application of neural networks with artificial intelligence technique in the modeling of industrial processes.

  6. Reduced order model based on principal component analysis for process simulation and optimization

    SciTech Connect (OSTI)

    Lang, Y.; Malacina, A.; Biegler, L.; Munteanu, S.; Madsen, J.; Zitney, S.

    2009-01-01

    It is well-known that distributed parameter computational fluid dynamics (CFD) models provide more accurate results than conventional, lumped-parameter unit operation models used in process simulation. Consequently, the use of CFD models in process/equipment co-simulation offers the potential to optimize overall plant performance with respect to complex thermal and fluid flow phenomena. Because solving CFD models is time-consuming compared to the overall process simulation, we consider the development of fast reduced order models (ROMs) based on CFD results to closely approximate the high-fidelity equipment models in the co-simulation. By considering process equipment items with complicated geometries and detailed thermodynamic property models, this study proposes a strategy to develop ROMs based on principal component analysis (PCA). Taking advantage of commercial process simulation and CFD software (for example, Aspen Plus and FLUENT), we are able to develop systematic CFD-based ROMs for equipment models in an efficient manner. In particular, we show that the validity of the ROM is more robust within well-sampled input domain and the CPU time is significantly reduced. Typically, it takes at most several CPU seconds to evaluate the ROM compared to several CPU hours or more to solve the CFD model. Two case studies, involving two power plant equipment examples, are described and demonstrate the benefits of using our proposed ROM methodology for process simulation and optimization.

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

    SciTech Connect (OSTI)

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

    2013-03-01

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

  8. Signal processing Model/Method for Recovering Acoustic Reflectivity of Spot Weld

    Energy Science and Technology Software Center (OSTI)

    2005-09-08

    Until recently, U.S. auto manufacturers have inspected the veracity of welds in the auto bodies they build by using destructive tear-down, which typically results in more than $1 M of scrappage per plant per year. Much of this expense could possibly be avoided with a nondestructive technique (and 100% instead of 1% inspection could be achieved). Recent advances in ultrasound probes promise to provide a sufficiently accurate non-destructive evaluation technique, but the necessary signal processingmore » has not yet been developed. This disclosure describes a signal processing model and method useful for diagnosing the veracity of spot welds between two sheets of the same thickness from ultrasound signals Standard systems theory describes a signal as a convolution of a transducer function, h(t), and an impulse train (beta(t), tau(t)) [1] (see Eq. (1) attached). With a Gaussian wavelet as a transducer function, this model describes the signal from an ultrasound probe quite well, and the literature provides many methods for "deconvolution," for recovery of the impulse train from the signal [see e.g., 2-3]. What is novel about the technique disclosed is the model that describes the impulse train as a function of reflectivity, the share of energy incident on the interface that is reflected, and that allows the recovery of its estimated value. The reflectivity estimate provides an ideal indicator of weld veracity, compressing each signal into a single value between 0 and 1, which can then be displayed as a 2d greyscale or colormap of the weld. The model describing the system is attached as Eqs. (2). These equations account for the energy in the probe-side and opposite sheets. In each period, this energy is a sum of that reflected from the same sheet plus that transmitted from the opposite (dampened by material attenuation at rate a). This model is consistent with physical first principles (in particular the First and Second Laws of Thermodynamics) and has been verified

  9. Rate-based process modeling study of CO{sub 2} capture with aqueous monoethanolamine solution

    SciTech Connect (OSTI)

    Zhang, Y.; Chen, H.; Chen, C.C.; Plaza, J.M.; Dugas, R.; Rochelle, G.T.

    2009-10-15

    Rate-based process modeling technology has matured and is increasingly gaining acceptance over traditional equilibrium-stage modeling approaches. Recently comprehensive pilot plant data for carbon dioxide (CO{sub 2}) capture with aqueous monoethanolamine (MEA) solution have become available from the University of Texas at Austin. The pilot plant data cover key process variables including CO{sub 2} concentration in the gas stream, CO{sub 2} loading in lean MEA solution, liquid to gas ratio, and packing type. In this study, we model the pilot plant operation with Aspen RateSep, a second generation rate-based multistage separation unit operation model in Aspen Plus. After a brief review of rate-based modeling, thermodynamic and kinetic models for CO{sub 2} absorption with the MEA solution, and transport property models, we show excellent match of the rate-based model predictions against the comprehensive pilot plant data and we validate the superiority of the rate-based models over the traditional equilibrium-stage models. We further examine the impacts of key rate-based modeling options, i.e., film discretization options and flow model options. The rate-based model provides excellent predictive capability, and it should be very useful for design and scale-up of CO{sub 2} capture processes.

  10. A separate phase drag model and a surrogate approximation for simulation of the steam assisted gravity drainage (SAGD) process

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

    Padrino-Inciarte, Juan Carlos; Ma, Xia; VanderHeyden, W. Brian; Zhang, Duan Zhong

    2016-01-01

    General ensemble phase averaged equations for multiphase flows have been specialized for the simulation of the steam assisted gravity drainage (SAGD) process. In the average momentum equation, fluid-solid and fluid-fluid viscous interactions are represented by separate force terms. This equation has a form similar to that of Darcy’s law for multiphase flow but augmented by the fluid-fluid viscous forces. Models for these fluid-fluid interactions are suggested and implemented into the numerical code CartaBlanca. Numerical results indicate that the model captures the main features of the multiphase flow in the SAGD process, but the detailed features, such as plumes are missed.more » We find that viscous coupling among the fluid phases is important. Advection time scales for the different fluids differ by several orders of magnitude because of vast viscosity differences. Numerically resolving all of these time scales is time consuming. To address this problem, we introduce a steam surrogate approximation to increase the steam advection time scale, while keeping the mass and energy fluxes well approximated. This approximation leads to about a 40-fold speed-up in execution speed of the numerical calculations at the cost of a few percent error in the relevant quantities.« less

  11. A separate phase drag model and a surrogate approximation for simulation of the steam assisted gravity drainage (SAGD) process

    SciTech Connect (OSTI)

    Padrino-Inciarte, Juan Carlos; Ma, Xia; VanderHeyden, W. Brian; Zhang, Duan Zhong

    2016-01-01

    General ensemble phase averaged equations for multiphase flows have been specialized for the simulation of the steam assisted gravity drainage (SAGD) process. In the average momentum equation, fluid-solid and fluid-fluid viscous interactions are represented by separate force terms. This equation has a form similar to that of Darcy’s law for multiphase flow but augmented by the fluid-fluid viscous forces. Models for these fluid-fluid interactions are suggested and implemented into the numerical code CartaBlanca. Numerical results indicate that the model captures the main features of the multiphase flow in the SAGD process, but the detailed features, such as plumes are missed. We find that viscous coupling among the fluid phases is important. Advection time scales for the different fluids differ by several orders of magnitude because of vast viscosity differences. Numerically resolving all of these time scales is time consuming. To address this problem, we introduce a steam surrogate approximation to increase the steam advection time scale, while keeping the mass and energy fluxes well approximated. This approximation leads to about a 40-fold speed-up in execution speed of the numerical calculations at the cost of a few percent error in the relevant quantities.

  12. Diagnosis of the Marine Low Cloud Simulation in the NCAR Community Earth System Model (CESM) and the NCEP Global Forecast System (GFS)-Modular Ocean Model v4 (MOM4) coupled model

    SciTech Connect (OSTI)

    Xiao, Heng; Mechoso, C. R.; Sun, Rui; Han, J.; Pan, H. L.; Park, S.; Hannay, Cecile; Bretherton, Christopher S.; Teixeira, J.

    2014-07-25

    We present a diagnostic analysis of the marine low cloud climatology simulated by two state-of-the-art coupled atmosphere-ocean models: the NCAR Community Earth System Model (CESM) and the NCEP Global Forecasting System (GFS). In both models, the shallow convection and boundary layer turbulence parameterizations have been recently updated: both models now use a mass-flux scheme for the parameterization of shallow convection, and a turbulence parameterization capable of handling Stratocumulus (Sc)-topped Planetary Boundary Layers (PBLs). For shallow convection, both models employ a convective trigger function based on the concept of convective inhibition and both include explicit convective overshooting/penetrative entrainment formulation. For Sc-topped PBL, both models treat explicitly turbulence mixing and cloud-top entrainment driven by cloud-top radiative cooling. Our focus is on the climatological transition from Sc to shallow Cumulus (Cu)-topped PBL in the subtropical eastern oceans. We show that in the CESM the coastal Sc-topped PBLs in the subtropical Eastern Pacific are well-simulated but the climatological transition from Sc to shallow Cu is too abrupt and happens too close to the coast. By contrast, in the GFS coupled simulation the coastal Sc amount and PBL depth are severely underestimated while the transition from Sc to shallow Cu is delayed and offshore Sc cover is too extensive in the subtropical Eastern Pacific. We discuss the possible connections between such differences in the simulations and differences in the parameterizations of shallow convection and boundary layer turbulence in the two models.

  13. Vapor phase modifiers for oxidative coupling

    DOE Patents [OSTI]

    Warren, Barbara K.

    1991-01-01

    Volatilized metal compounds retard vapor phase alkane conversion reactions in oxidative coupling processes that convert lower alkanes to higher hydrocarbons.

  14. A Subbasin-based framework to represent land surface processes in an Earth System Model

    SciTech Connect (OSTI)

    Tesfa, Teklu K.; Li, Hongyi; Leung, Lai-Yung R.; Huang, Maoyi; Ke, Yinghai; Sun, Yu; Liu, Ying

    2014-05-20

    Realistically representing spatial heterogeneity and lateral land surface processes within and between modeling units in earth system models is important because of their implications to surface energy and water exchange. The traditional approach of using regular grids as computational units in land surface models and earth system models may lead to inadequate representation of lateral movements of water, energy and carbon fluxes, especially when the grid resolution increases. Here a new subbasin-based framework is introduced in the Community Land Model (CLM), which is the land component of the Community Earth System Model (CESM). Local processes are represented assuming each subbasin as a grid cell on a pseudo grid matrix with no significant modifications to the existing CLM modeling structure. Lateral routing of water within and between subbasins is simulated with the subbasin version of a recently-developed physically based routing model, Model for Scale Adaptive River Routing (MOSART). As an illustration, this new framework is implemented in the topographically diverse region of the U.S. Pacific Northwest. The modeling units (subbasins) are delineated from high-resolution Digital Elevation Model while atmospheric forcing and surface parameters are remapped from the corresponding high resolution datasets. The impacts of this representation on simulating hydrologic processes are explored by comparing it with the default (grid-based) CLM representation. In addition, the effects of DEM resolution on parameterizing topography and the subsequent effects on runoff processes are investigated. Limited model evaluation and comparison showed that small difference between the averaged forcing can lead to more significant difference in the simulated runoff and streamflow because of nonlinear horizontal processes. Topographic indices derived from high resolution DEM may not improve the overall water balance, but affect the partitioning between surface and subsurface runoff

  15. Estimating Heat and Mass Transfer Processes in Green Roof Systems: Current Modeling Capabilities and Limitations (Presentation)

    SciTech Connect (OSTI)

    Tabares Velasco, P. C.

    2011-04-01

    This presentation discusses estimating heat and mass transfer processes in green roof systems: current modeling capabilities and limitations. Green roofs are 'specialized roofing systems that support vegetation growth on rooftops.'

  16. Fundamental processes in the interacting boson model: 0{nu}{beta}{beta} decay

    SciTech Connect (OSTI)

    Iachello, F. [Center for Theoretical Physics, Sloane Physics Laboratory, Yale University, New Haven, CT 06520-8120 (United States); Barea, J. [Departamento de Fisica, Universidad de Concepcion, Casilla 160-C, Concepcion (Chile)

    2011-05-06

    A program to calculate nuclear matrix elements for fundamental processes in the interacting boson model has been initiated. Results for the nuclear matrix elements in neutrinoless double beta decay 0{nu}{beta}{beta} are presented.

  17. The effect of large-scale model time step and multiscale coupling frequency on cloud climatology, vertical structure, and rainfall extremes in a superparameterized GCM

    SciTech Connect (OSTI)

    Yu, Sungduk; Pritchard, Michael S.

    2015-12-17

    The effect of global climate model (GCM) time step—which also controls how frequently global and embedded cloud resolving scales are coupled—is examined in the Superparameterized Community Atmosphere Model ver 3.0. Systematic bias reductions of time-mean shortwave cloud forcing (~10 W/m2) and longwave cloud forcing (~5 W/m2) occur as scale coupling frequency increases, but with systematically increasing rainfall variance and extremes throughout the tropics. An overarching change in the vertical structure of deep tropical convection, favoring more bottom-heavy deep convection as a global model time step is reduced may help orchestrate these responses. The weak temperature gradient approximation is more faithfully satisfied when a high scale coupling frequency (a short global model time step) is used. These findings are distinct from the global model time step sensitivities of conventionally parameterized GCMs and have implications for understanding emergent behaviors of multiscale deep convective organization in superparameterized GCMs. Lastly, the results may also be useful for helping to tune them.

  18. The effect of large-scale model time step and multiscale coupling frequency on cloud climatology, vertical structure, and rainfall extremes in a superparameterized GCM

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

    Yu, Sungduk; Pritchard, Michael S.

    2015-12-17

    The effect of global climate model (GCM) time step—which also controls how frequently global and embedded cloud resolving scales are coupled—is examined in the Superparameterized Community Atmosphere Model ver 3.0. Systematic bias reductions of time-mean shortwave cloud forcing (~10 W/m2) and longwave cloud forcing (~5 W/m2) occur as scale coupling frequency increases, but with systematically increasing rainfall variance and extremes throughout the tropics. An overarching change in the vertical structure of deep tropical convection, favoring more bottom-heavy deep convection as a global model time step is reduced may help orchestrate these responses. The weak temperature gradient approximation is more faithfullymore » satisfied when a high scale coupling frequency (a short global model time step) is used. These findings are distinct from the global model time step sensitivities of conventionally parameterized GCMs and have implications for understanding emergent behaviors of multiscale deep convective organization in superparameterized GCMs. Lastly, the results may also be useful for helping to tune them.« less

  19. Use of the iterative solution method for coupled finite element and boundary element modeling; Yucca Mountain Site Characterization Project

    SciTech Connect (OSTI)

    Koteras, J.R.

    1993-07-01

    Tunnels buried deep within the earth constitute an important class geomechanics problems. Two numerical techniques used for the analysis of geomechanics problems, the finite element method and the boundary element method, have complementary characteristics for applications to problems of this type. The usefulness of combining these two methods for use as a geomechanics analysis tool has been recognized for some time, and a number of coupling techniques have been proposed. However, not all of them lend themselves to efficient computational implementations for large-scale problems. This report examines a coupling technique that can form the basis for an efficient analysis tool for large scale geomechanics problems through the use of an iterative equation solver.

  20. FLEXIBLE COUPLING

    DOE Patents [OSTI]

    Babelay, E.F.

    1962-02-13

    A flexible shaft coupling for operation at speeds in excess of 14,000 rpm is designed which requires no lubrication. A driving sleeve member and a driven sleeve member are placed in concentric spaced relationship. A torque force is transmitted to the driven member from the driving member through a plurality of nylon balls symmetrically disposed between the spaced sleeves. The balls extend into races and recesses within the respective sleeve members. The sleeve members have a suitable clearance therebetween and the balls have a suitable radial clearance during operation of the coupling to provide a relatively loose coupling. These clearances accommodate for both parallel and/or angular misalignments and avoid metal-tometal contact between the sleeve members during operation. Thus, no lubrication is needed, and a minimum of vibrations is transmitted between the sleeve members. (AEC)

  1. Microscale Electrode Design Using Coupled Kinetic, Thermal and...

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

    Microscale Electrode Design Using Coupled Kinetic, Thermal and Mechanical Modeling Microscale Electrode Design Using Coupled Kinetic, Thermal and Mechanical Modeling 2009 DOE ...

  2. Long-Fiber Thermoplastic Injection Molded Composites: from Process Modeling to Property Prediction

    SciTech Connect (OSTI)

    Nguyen, Ba Nghiep; Holbery, Jim D.; Johnson, Kenneth I.; Smith, Mark T.

    2005-09-01

    Recently, long-fiber filled thermoplastics have become a great interest to the automotive industry since these materials offer much better property performance (e.g. elastic moduli, strength, durability) than their short-fiber analogues, and they can be processed through injection molding with some specific tool design. However, in order that long-fiber thermoplastic injection molded composites can be used efficiently for automotive applications, there is a tremendous need to develop process and constitutive models as well as computational tools to predict the microstructure of the as-formed composite, and its resulting properties and macroscopic responses from processing to the final product. The microstructure and properties of such a composite are governed by i) flow-induced fiber orientation, ii) fiber breakage during injection molding, and iii) processing conditions (e,g. pressure, mold and melt temperatures, mold geometries, injection speed, etc.). This paper highlights our efforts to address these challenging issues. The work is an integrated part of a research program supported by the US Department of Energy, which includes The development of process models for long-fiber filled thermoplastics, The construction of an interface between process modeling and property prediction as well as the development of new constitutive models to perform linear and nonlinear structural analyses, Experimental characterization of model parameters and verification of the model predictions.

  3. Validation of the materials-process-product model (coal SNG). [Estimating method for comparing processes, changing assumptions and technology assessment

    SciTech Connect (OSTI)

    Albanese, A.; Bhagat, N.; Friend, L.; Lamontagne, J.; Pouder, R.; Vinjamuri, G.

    1980-03-01

    The use of coal as a source of high Btu gas is currently viewed as one possible means of supplementing dwindling natural gas supplies. While certain coal gasification processes have demonstrated technical feasibility, much uncertainty and inconsistency remains regarding the capital and operating costs of large scale coal conversion facilities; cost estimates may vary by as much as 50%. Studies conducted for the American Gas Association (AGA) and US Energy Research and Development Administration by C.F. Braun and Co. have defined technical specifications and cost guidelines for estimating costs of coal gasification technologies (AGA Guidelines). Based on the AGA Guidelines, Braun has also prepared cost estimates for selected coal gasification processes. Recent efforts by International Research and Technology Inc. (IR and T) have led to development of the Materials-Process-Product Model (MPPM), a comprehensive anaytic tool for evaluation of processes and costs for coal gasification and other coal conversion technologies. This validation of the MPPM presents a comparison of engineering and cost computation methodologies employed in the MPPM to those employed by Braun and comparison of MPPM results to Braun cost estimates. These comparisons indicate that the MPPM has the potential to be a valuable tool for assisting in the evaluation of coal gasification technologies.

  4. Development of an entrained flow gasifier model for process optimization study

    SciTech Connect (OSTI)

    Biagini, E.; Bardi, A.; Pannocchia, G.; Tognotti, L.

    2009-10-15

    Coal gasification is a versatile process to convert a solid fuel in syngas, which can be further converted and separated in hydrogen, which is a valuable and environmentally acceptable energy carrier. Different technologies (fixed beds, fluidized beds, entrained flow reactors) are used, operating under different conditions of temperature, pressure, and residence time. Process studies should be performed for defining the best plant configurations and operating conditions. Although 'gasification models' can be found in the literature simulating equilibrium reactors, a more detailed approach is required for process analysis and optimization procedures. In this work, a gasifier model is developed by using AspenPlus as a tool to be implemented in a comprehensive process model for the production of hydrogen via coal gasification. It is developed as a multizonal model by interconnecting each step of gasification (preheating, devolatilization, combustion, gasification, quench) according to the reactor configuration, that is in entrained flow reactor. The model removes the hypothesis of equilibrium by introducing the kinetics of all steps and solves the heat balance by relating the gasification temperature to the operating conditions. The model allows to predict the syngas composition as well as quantity the heat recovery (for calculating the plant efficiency), 'byproducts', and residual char. Finally, in view of future works, the development of a 'gasifier model' instead of a 'gasification model' will allow different reactor configurations to be compared.

  5. Used Fuel Degradation: Experimental and Modeling Report

    Office of Energy Efficiency and Renewable Energy (EERE)

    The report describes the strategy for coupling process level models to produce an integrated Used Fuel Degradation Model (FDM), and addresses fractional degradation rate, instant release fractions, other continuum modeling approaches, and experimental support.

  6. Computational modeling of structure of metal matrix composite in centrifugal casting process

    SciTech Connect (OSTI)

    Zagorski, Roman [Department of Electrotechnology, Faculty of Materials Science and Metallurgy, Silesian University of Technology, ul. Krasinskiego 8, 40-019, Katowice (Poland)

    2007-04-07

    The structure of alumina matrix composite reinforced with crystalline particles obtained during centrifugal casting process are studied. Several parameters of cast process like pouring temperature, temperature, rotating speed and size of casting mould which influent on structure of composite are examined. Segregation of crystalline particles depended on other factors such as: the gradient of density of the liquid matrix and reinforcement, thermal processes connected with solidifying of the cast, processes leading to changes in physical and structural properties of liquid composite are also investigated. All simulation are carried out by CFD program Fluent. Numerical simulations are performed using the FLUENT two-phase free surface (air and matrix) unsteady flow model (volume of fluid model - VOF) and discrete phase model (DPM)

  7. A Multiscale Bidirectional Coupling Framework

    SciTech Connect (OSTI)

    Kabilan, Senthil; Kuprat, Andrew P.; Hlastala, Michael P.; Corley, Richard A.; Einstein, Daniel R.

    2011-12-01

    The lung is geometrically articulated across multiple scales from the trachea to the alveoli. A major computational challenge is to tightly link ODEs that describe lower scales to 3D finite element or finite volume models of airway mechanics using iterative communication between scales. In this study, we developed a novel multiscale computational framework for bidirectionally coupling 3D CFD models and systems of lower order ODEs. To validate the coupling framework, a four and eight generation Weibel lung model was constructed. For the coupled CFD-ODE simulations, the lung models were truncated at different generations and a RL circuit represented the truncated portion. The flow characteristics from the coupled models were compared to untruncated full 3D CFD models at peak inhalation and peak exhalation. Results showed that at no time or simulation was the difference in mass flux and/or pressure at a given location between uncoupled and coupled models was greater than 2.43%. The flow characteristics at prime locations for the coupled models showed good agreement to uncoupled models. Remarkably, due to reuse of the Krylov subspace, the cost of the ODE coupling is not much greater than uncoupled full 3D-CFD computations with simple prescribed pressure values at the outlets.

  8. Multiphysics Integrated Coupling Environment (MICE) User Manual

    SciTech Connect (OSTI)

    Varija Agarwal; Donna Post Guillen

    2013-08-01

    The complex, multi-part nature of waste glass melters used in nuclear waste vitrification poses significant modeling challenges. The focus of this project has been to couple a 1D MATLAB model of the cold cap region within a melter with a 3D STAR-CCM+ model of the melter itself. The Multiphysics Integrated Coupling Environment (MICE) has been developed to create a cohesive simulation of a waste glass melter that accurately represents the cold cap. The one-dimensional mathematical model of the cold cap uses material properties, axial heat, and mass fluxes to obtain a temperature profile for the cold cap, the region where feed-to-glass conversion occurs. The results from Matlab are used to update simulation data in the three-dimensional STAR-CCM+ model so that the cold cap is appropriately incorporated into the 3D simulation. The two processes are linked through ModelCenter integration software using time steps that are specified for each process. Data is to be exchanged circularly between the two models, as the inputs and outputs of each model depend on the other.

  9. Towards the Prediction of Decadal to Centennial Climate Processes in the

    Office of Scientific and Technical Information (OSTI)

    Coupled Earth System Model (Technical Report) | SciTech Connect Towards the Prediction of Decadal to Centennial Climate Processes in the Coupled Earth System Model Citation Details In-Document Search Title: Towards the Prediction of Decadal to Centennial Climate Processes in the Coupled Earth System Model 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

  10. Mathematical modeling of sulfide flash smelting process. Part 2; Quantitative analysis of radiative heat transfer

    SciTech Connect (OSTI)

    Hahn, Y.B. ); Sohn, H.Y. )

    1990-12-01

    This paper reports on a mathematical model developed to describe the rate processes in an axisymmetric copper flash smelting furnace shaft. A particular feature of the model is the incorporation of the four-flux model to describe the radiative heat transfer by combining the absorbing, emitting, and anisotropic scattering phenomena. The importance of various subprocesses of the radiative heat transfer in a flash smelting furnace has been studied. Model predictions showed that the radiation from the furnace walls and between the particles and the surrounding is the dominant mode of heat transfer in a flash smelting furnace.

  11. Modulation of extremes in the Atlantic region by modes of climate variability/change: A mechanistic coupled regional model study

    SciTech Connect (OSTI)

    Saravanan, Ramalingam

    2015-01-09

    During the course of this project, we have accomplished the following: 1) Explored the parameter space of component models to minimize regional model bias 2) Assessed the impact of air-sea interaction on hurricanes, focusing in particular on the role of the oceanic barrier layer 3) Contributed to the activities of the U.S. CLIVAR Hurricane Working Group 4) Assessed the impact of lateral and lower boundary conditions on extreme flooding events in the U.S. Midwest in regional model simulations 5) Analyzed the concurrent impact of El Nio-Southern Oscillation and Atlantic Meridional Mode on Atlantic Hurricane activity using observations and regional model simulations

  12. Modeling and simulation of offshore wind farm O&M processes

    SciTech Connect (OSTI)

    Joschko, Philip; Widok, Andi H.; Appel, Susanne; Greiner, Saskia; Albers, Henning; Page, Bernd

    2015-04-15

    This paper describes a holistic approach to operation and maintenance (O&M) processes in the domain of offshore wind farm power generation. The acquisition and process visualization is followed by a risk analysis of all relevant processes. Hereafter, a tool was designed, which is able to model the defined processes in a BPMN 2.0 notation, as well as connect and simulate them. Furthermore, the notation was enriched with new elements, representing other relevant factors that were, to date, only displayable with much higher effort. In that regard a variety of more complex situations were integrated, such as for example new process interactions depending on different weather influences, in which case a stochastic weather generator was combined with the business simulation or other wind farm aspects important to the smooth running of the offshore wind farms. In addition, the choices for different methodologies, such as the simulation framework or the business process notation will be presented and elaborated depending on the impact they had on the development of the approach and the software solution. - Highlights: • Analysis of operation and maintenance processes of offshore wind farms • Process modeling with BPMN 2.0 • Domain-specific simulation tool.

  13. "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 to share (Opens in new window) Click to share on LinkedIn (Opens in new window) Click to share on Tumblr (Opens in new window) Using process modeling tools to attain cost-effective results for GE customers Jimmy Lopez 2015.03.26 Sometimes, we need to look outside the box to realize the powerful tools we have inside.

  14. Coupling MM5 with ISOLSM:

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

    Yun (Helen) He 1 Coupling MM5 with ISOLSM: Development, Testing, and Application W.J. Riley, H.S. Cooley, Y. He*, M.S. Torn Lawrence Berkeley National Laboratory June 2003 Yun (Helen) He 2 Outline ! Introduction ! Model Integration ! Model Configuration ! Model Testing ! Simulation and Impacts of Winter Wheat Harvest ! Conclusions ! Observations and Future Work June 2003 Yun (Helen) He 3 Introduction ! CO 2 fluxes and other trace-gas exchanges are tightly coupled to the surface water and energy

  15. Final Report Collaborative Project. Improving the Representation of Coastal and Estuarine Processes in Earth System Models

    SciTech Connect (OSTI)

    Bryan, Frank; Dennis, John; MacCready, Parker; Whitney, Michael

    2015-11-20

    This project aimed to improve long term global climate simulations by resolving and enhancing the representation of the processes involved in the cycling of freshwater through estuaries and coastal regions. This was a collaborative multi-institution project consisting of physical oceanographers, climate model developers, and computational scientists. It specifically targeted the DOE objectives of advancing simulation and predictive capability of climate models through improvements in resolution and physical process representation. The main computational objectives were: 1. To develop computationally efficient, but physically based, parameterizations of estuary and continental shelf mixing processes for use in an Earth System Model (CESM). 2. To develop a two-way nested regional modeling framework in order to dynamically downscale the climate response of particular coastal ocean regions and to upscale the impact of the regional coastal processes to the global climate in an Earth System Model (CESM). 3. To develop computational infrastructure to enhance the efficiency of data transfer between specific sources and destinations, i.e., a point-to-point communication capability, (used in objective 1) within POP, the ocean component of CESM.

  16. Coupled modeling of a directly heated tubular solar receiver for supercritical carbon dioxide Brayton cycle: Optical and thermal-fluid evaluation

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

    Ortega, Jesus; Khivsara, Sagar; Christian, Joshua; Ho, Clifford; Yellowhair, Julius; Dutta, Pradip

    2016-05-30

    In single phase performance and appealing thermo-physical properties supercritical carbon dioxide (s-CO2) make a good heat transfer fluid candidate for concentrating solar power (CSP) technologies. The development of a solar receiver capable of delivering s-CO2 at outlet temperatures ~973 K is required in order to merge CSP and s-CO2 Brayton cycle technologies. A coupled optical and thermal-fluid modeling effort for a tubular receiver is undertaken to evaluate the direct tubular s-CO2 receiver’s thermal performance when exposed to a concentrated solar power input of ~0.3–0.5 MW. Ray tracing, using SolTrace, is performed to determine the heat flux profiles on the receivermore » and computational fluid dynamics (CFD) determines the thermal performance of the receiver under the specified heating conditions. Moreover, an in-house MATLAB code is developed to couple SolTrace and ANSYS Fluent. CFD modeling is performed using ANSYS Fluent to predict the thermal performance of the receiver by evaluating radiation and convection heat loss mechanisms. Understanding the effects of variation in heliostat aiming strategy and flow configurations on the thermal performance of the receiver was achieved through parametric analyses. Finally, a receiver thermal efficiency ~85% was predicted and the surface temperatures were observed to be within the allowable limit for the materials under consideration.« less

  17. Process and economic model of in-field heavy oil upgrading using aqueous pyrolysis

    SciTech Connect (OSTI)

    Thorsness, C. B., LLNL

    1997-01-21

    A process and economic model for aqueous pyrolysis in-field upgrading of heavy oil has been developed. The model has been constructed using the ASPEN PLUS chemical process simulator. The process features cracking of heavy oil at moderate temperatures in the presence of water to increase oil quality and thus the value of the oil. Calculations with the model indicate that for a 464 Mg/day (3,000 bbl/day) process, which increases the oil API gravity of the processed oil from 13.5{degree} to 22.4{degree}, the required value increase of the oil would need to be at least $2.80/Mg{center_dot}{degree}API($0.40/bbl{center_dot}{degree}API) to make the process economically attractive. This level of upgrading has been demonstrated in preliminary experiments with candidate catalysts. For improved catalysts capable of having the coke make and increasing the pyrolysis rate, a required price increase for the oil as low as $1.34/Mg{center_dot}{degree}API ($0.21/bbl{center_dot}{degree}API)has been calculated.

  18. Sealing coupling

    DOE Patents [OSTI]

    Pardini, John A. (Brookfield, IL); Brubaker, Robert C. (Naperville, IL); Rusnak, John J. (Orland Park, IL)

    1985-01-01

    Disclosed is a remotely operable releasable sealing coupling which provides fluid-tight joinder of upper and a lower conduit sections. Each conduit section has a concave conical sealing surface adjacent its end portion. A tubular sleeve having convex spherical ends is inserted between the conduit ends to form line contact with the concave conical end portions. An inwardly projecting lip located at one end of the sleeve cooperates with a retaining collar formed on the upper pipe end to provide swivel capture for the sleeve. The upper conduit section also includes a tapered lower end portion which engages the inside surface of the sleeve to limit misalignment of the connected conduit sections.

  19. Experiments to populate and validate a processing model for polyurethane foam :

    SciTech Connect (OSTI)

    Mondy, Lisa Ann; Rao, Rekha Ranjana; Shelden, Bion; Soehnel, Melissa Marie; O'Hern, Timothy J.; Grillet, Anne; Celina, Mathias Christopher; Wyatt, Nicholas B.; Russick, Edward Mark; Bauer, Stephen J.; Hileman, Michael Bryan; Urquhart, Alexander; Thompson, Kyle Richard; Smith, David Michael

    2014-03-01

    We are developing computational models to elucidate the expansion and dynamic filling process of a polyurethane foam, PMDI. The polyurethane of interest is chemically blown, where carbon dioxide is produced via the reaction of water, the blowing agent, and isocyanate. The isocyanate also reacts with polyol in a competing reaction, which produces the polymer. Here we detail the experiments needed to populate a processing model and provide parameters for the model based on these experiments. The model entails solving the conservation equations, including the equations of motion, an energy balance, and two rate equations for the polymerization and foaming reactions, following a simplified mathematical formalism that decouples these two reactions. Parameters for the polymerization kinetics model are reported based on infrared spectrophotometry. Parameters describing the gas generating reaction are reported based on measurements of volume, temperature and pressure evolution with time. A foam rheology model is proposed and parameters determined through steady-shear and oscillatory tests. Heat of reaction and heat capacity are determined through differential scanning calorimetry. Thermal conductivity of the foam as a function of density is measured using a transient method based on the theory of the transient plane source technique. Finally, density variations of the resulting solid foam in several simple geometries are directly measured by sectioning and sampling mass, as well as through x-ray computed tomography. These density measurements will be useful for model validation once the complete model is implemented in an engineering code.

  20. A dynamic process model of a natural gas combined cycle -- Model development with startup and shutdown simulations

    SciTech Connect (OSTI)

    Liese, Eric; Zitney, Stephen E.

    2013-01-01

    Research in dynamic process simulation for integrated gasification combined cycles (IGCC) with carbon capture has been ongoing at the National Energy Technology Laboratory (NETL), culminating in a full operator training simulator (OTS) and immersive training simulator (ITS) for use in both operator training and research. A derivative work of the IGCC dynamic simulator has been a modification of the combined cycle section to more closely represent a typical natural gas fired combined cycle (NGCC). This paper describes the NGCC dynamic process model and highlights some of the simulator’s current capabilities through a particular startup and shutdown scenario.

  1. Interaction between surface wind and ocean circulation in the Carolina Capes in a coupled low-order model

    SciTech Connect (OSTI)

    Xie, L.; Pietrafesa, L.J.; Raman, S.

    1997-03-18

    Interactions between surface winds and ocean currents over an east-coast continental shelf are studied using a simple mathematical model. The model physics include cross-shelf advection of sea surface temperature (SST) by Ekman drift, upwelling due to Ekman transport divergence, differential heating of the low-level atmosphere by a cross-shelf SST gradient, and the Coriolis effect. Additionally, the effects of diabatic cooling of surface waters due to air-sea heat exchange and of the vertical density stratification on the thickness of the upper ocean Ekman layer are considered. The model results are qualitatively consistent with observed wind-driven coastal ocean circulation and surface wind signatures induced by SST. This simple model also demonstrates that two-way air-sea interaction plays a significant role in the subtidal frequency variability of coastal ocean circulation and mesoscale variability of surface wind fields over coastal waters.

  2. CO{sub 2} Geologic Storage: Coupled Hydro-Chemo-Thermo-Mechanical Phenomena - From Pore-scale Processes to Macroscale Implications -

    SciTech Connect (OSTI)

    Santamarina, J. Carlos

    2013-05-31

    Global energy consumption will increase in the next decades and it is expected to largely rely on fossil fuels. The use of fossil fuels is intimately related to CO{sub 2} emissions and the potential for global warming. Geological CO{sub 2} storage aims to mitigate the global warming problem by sequestering CO{sub 2} underground. Coupled hydro-chemo-mechanical phenomena determine the successful operation and long term stability of CO{sub 2} geological storage. This research explores coupled phenomena, identifies different zones in the storage reservoir, and investigates their implications in CO{sub 2} geological storage. In particular, the research: Explores spatial patterns in mineral dissolution and precipitation (comprehensive mass balance formulation); experimentally determines the interfacial properties of water, mineral, and CO{sub 2} systems (including CO{sub 2}-water-surfactant mixtures to reduce the CO{sub 2}- water interfacial tension in view of enhanced sweep efficiency); analyzes the interaction between clay particles and CO{sub 2}, and the response of sediment layers to the presence of CO{sub 2} using specially designed experimental setups and complementary analyses; couples advective and diffusive mass transport of species, together with mineral dissolution to explore pore changes during advection of CO{sub 2}-dissolved water along a rock fracture; upscales results to a porous medium using pore network simulations; measures CO{sub 2} breakthrough in highly compacted fine-grained sediments, shale and cement specimens; explores sealing strategies; and experimentally measures CO{sub 2}-CH{sub 4} replacement in hydrate-bearing sediments during. Analytical, experimental and numerical results obtained in this study can be used to identify optimal CO{sub 2} injection and reservoir-healing strategies to maximize the efficiency of CO{sub 2} injection and to attain long-term storage.

  3. QCD coupling constants and VDM

    SciTech Connect (OSTI)

    Erkol, G.; Ozpineci, A.; Zamiralov, V. S.

    2012-10-23

    QCD sum rules for coupling constants of vector mesons with baryons are constructed. The corresponding QCD sum rules for electric charges and magnetic moments are also derived and with the use of vector-meson-dominance model related to the coupling constants. The VDM role as the criterium of reciprocal validity of the sum rules is considered.

  4. Meson-meson bound state in a 2+1 lattice QCD model with two flavors and strong coupling

    SciTech Connect (OSTI)

    Faria da Veiga, Paulo A.; O'Carroll, Michael; Neto, Antonio Francisco

    2005-08-01

    We consider the existence of bound states of two mesons in an imaginary-time formulation of lattice QCD. We analyze an SU(3) theory with two flavors in 2+1 dimensions and two-dimensional spin matrices. For a small hopping parameter and a sufficiently large glueball mass, as a preliminary, we show the existence of isoscalar and isovector mesonlike particles that have isolated dispersion curves (upper gap up to near the two-particle threshold {approx}-4ln{kappa}). The corresponding meson masses are equal up to and including O({kappa}{sup 3}) and are asymptotically of order -2ln{kappa}-{kappa}{sup 2}. Considering the zero total isospin sector, we show that there is a meson-meson bound state solution to the Bethe-Salpeter equation in a ladder approximation, below the two-meson threshold, and with binding energy of order b{kappa}{sup 2}{approx_equal}0.02359{kappa}{sup 2}. In the context of the strong coupling expansion in {kappa}, we show that there are two sources of meson-meson attraction. One comes from a quark-antiquark exchange. This is not a meson exchange, as the spin indices are not those of the meson particle, and we refer to this as a quasimeson exchange. The other arises from gauge field correlations of four overlapping bonds, two positively oriented and two of opposite orientation. Although the exchange part gives rise to a space range-one attractive potential, the main mechanism for the formation of the bound state comes from the gauge contribution. In our lattice Bethe-Salpeter equation approach, this mechanism is manifested by an attractive distance-zero energy-dependent potential. We recall that no bound state appeared in the one-flavor case, where the repulsive effect of Pauli exclusion is stronger.

  5. Development of Kinetic Models for the Liquid Phase Methanol (LPMEOH tm) Process

    SciTech Connect (OSTI)

    Xiang-Dong Peng

    2002-06-01

    This report covers our recent work on the kinetics of the LPMEOH{trademark} process. The major part of the report concerns the development of more robust kinetic models for the LPMEOH{trademark} reaction system. The development was needed to meet the requirements for more accurate process simulations over a wide range of conditions. To this end, kinetic experiments were designed based on commercial needs and a D-Optimal design package. A database covering 53 different conditions was built. Two new reactions were identified and added to the LPMEOH{trademark} reaction network. New rate models were developed for all 15 reactions in the system. The new rate models are more robust than the original ones, showing better fit to the experimental results over a wide range of conditions. Related to this model development are some new understandings about the sensitivity of rate models and their effects on catalyst life study. The last section of this report covers a separate topic: water injection to the LPMEOH{trademark} reactor and its effects on the LPMEOH{trademark} process. An investigation was made of whether water injection can enhance the reactor productivity and how this enhancement depends on the composition of the major syngas feed. A water injection condition that resulted in 32% enhancement in productivity was observed. A catalyst life test under this water injection condition was conducted and showed no negative effects of water injection on catalyst stability.

  6. Process Options Description for Steam Reforming Flowsheet Model of INEEL Tank Farm Waste

    SciTech Connect (OSTI)

    Taylor, D.D.; Barnes, C.M.; Nichols, T.T.

    2002-05-21

    Technical information is provided herein that is required for development of a steady-state process simulation of a baseline steam reforming treatment train for Tank Farm waste at the Idaho National Engineering and Environmental Laboratory (INEEL). This document supercedes INEEL/EXT-2001-173, produced in FY2001 to support simulation of the direct vitrification treatment train which was the previous process baseline. A process block flow diagram for steam reforming is provided, together with a list of unit operations which constitute the process. A detailed description of each unit operation is given which includes its purpose, principal phenomena present, expected pressure and temperature ranges, key chemical species in the inlet steam, and the proposed manner in which the unit operation is to be modeled in the steady state process simulation. Models for the unit operations may be mechanistic (based on first principles), empirical (based solely on pilot test data without extrapolation) , or by correlations (based on extrapolative or statistical schemes applied to pilot test data). Composition data for the expected process feed streams is provided.

  7. Thermoacoustic couple

    DOE Patents [OSTI]

    Wheatley, J.C.; Swift, G.W.; Migliori, A.

    1983-10-04

    An apparatus and method for determining acoustic power density level and its direction in a fluid using a single sensor are disclosed. The preferred embodiment of the apparatus, which is termed a thermoacoustic couple, consists of a stack of thin, spaced apart polymeric plates, selected ones of which include multiple bimetallic thermocouple junctions positioned along opposite end edges thereof. The thermocouple junctions are connected in series in the nature of a thermopile, and are arranged so as to be responsive to small temperature differences between the opposite edges of the plates. The magnitude of the temperature difference, as represented by the magnitude of the electrical potential difference generated by the thermopile, is found to be directly related to the level of acoustic power density in the gas.

  8. Highly frustrated spin-lattice models of magnetism and their quantum phase transitions: A microscopic treatment via the coupled cluster method

    SciTech Connect (OSTI)

    Bishop, R. F.; Li, P. H. Y.; Campbell, C. E.

    2014-10-15

    We outline how the coupled cluster method of microscopic quantum many-body theory can be utilized in practice to give highly accurate results for the ground-state properties of a wide variety of highly frustrated and strongly correlated spin-lattice models of interest in quantum magnetism, including their quantum phase transitions. The method itself is described, and it is shown how it may be implemented in practice to high orders in a systematically improvable hierarchy of (so-called LSUBm) approximations, by the use of computer-algebraic techniques. The method works from the outset in the thermodynamic limit of an infinite lattice at all levels of approximation, and it is shown both how the 'raw' LSUBm results are themselves generally excellent in the sense that they converge rapidly, and how they may accurately be extrapolated to the exact limit, m ? ?, of the truncation index m, which denotes the only approximation made. All of this is illustrated via a specific application to a two-dimensional, frustrated, spin-half J{sub 1}{sup XXZ}?J{sub 2}{sup XXZ} model on a honeycomb lattice with nearest-neighbor and next-nearest-neighbor interactions with exchange couplings J{sub 1} > 0 and J{sub 2} ? ?J{sub 1} > 0, respectively, where both interactions are of the same anisotropic XXZ type. We show how the method can be used to determine the entire zero-temperature ground-state phase diagram of the model in the range 0 ? ? ? 1 of the frustration parameter and 0 ? ? ? 1 of the spin-space anisotropy parameter. In particular, we identify a candidate quantum spin-liquid region in the phase space.

  9. Evaluation of Features, Events, and Processes (FEP) for the Biosphere Model

    SciTech Connect (OSTI)

    M. Wasiolek; P. Rogers

    2004-10-27

    The purpose of this analysis report is to evaluate and document the inclusion or exclusion of biosphere features, events, and processes (FEPs) with respect to modeling used to support the total system performance assessment (TSPA) for the license application (LA). A screening decision, either ''Included'' or ''Excluded'', is given for each FEP along with the corresponding technical basis for the excluded FEPs and the descriptions of how the included FEPs were incorporated in the biosphere model. This information is required by the U.S. Nuclear Regulatory Commission (NRC) regulations at 10 CFR 63.114 (d, e, and f) [DIRS 156605]. The FEPs addressed in this report concern characteristics of the reference biosphere, the receptor, and the environmental transport and receptor exposure pathways for the groundwater and volcanic ash exposure scenarios considered in biosphere modeling. This revision provides the summary of the implementation of included FEPs in TSPA-LA, (i.e., how the FEP is included); for excluded FEPs, this analysis provides the technical basis for exclusion from TSPA-LA (i.e., why the FEP is excluded). This report is one of the 10 documents constituting the biosphere model documentation suite. A graphical representation of the documentation hierarchy for the biosphere model is presented in Figure 1-1. This figure shows the interrelationships among the products (i.e., analysis and model reports) developed for biosphere modeling. The ''Biosphere Model Report'' describes in detail the biosphere conceptual model and mathematical model. The input parameter reports shown to the right of the ''Biosphere Model Report'' contain detailed descriptions of the model input parameters and their development. Outputs from these six reports are used in the ''Nominal Performance Biosphere Dose Conversion Factor Analysis and Disruptive Event Biosphere Dose Conversion Factor Analysis'' to generate the biosphere dose conversion factors (BDCFs), which are input parameters for

  10. Dynamic simulation of kinematic Stirling engines: Coupled and decoupled analysis

    SciTech Connect (OSTI)

    Fischer, K.; Lemrani, H.; Stouffs, P.

    1995-12-31

    A coupled analysis modelling method of Stirling engines is presented. The main feature of this modelling method is the use of a software package combining the capabilities of a pre-/post-processor with a differential algebraic equations solver. As a result, modelling is merely a matter of linking appropriate objects from a model library and the outcoming tool is very flexible and powerful. Some simulation results are presented and compared with those obtained from a decoupled analysis. It clearly appears that the main imperfection of the model does not come from the modelling process itself but from their incomplete knowledge of the physics behind the Stirling engine operation.

  11. Efficient Reformulation of Solid Phase Diffusion in Electrochemical-Mechanical Coupled Models for Lithium-Ion Batteries: Effect of Intercalation Induced Stresses

    SciTech Connect (OSTI)

    De, S; Suthar, B; Rife, D; Sikha, G; Subramanian, VR

    2013-07-23

    Lithium-ion batteries are typically modeled using porous electrode theory coupled with various transport and reaction mechanisms with an appropriate discretization or approximation for the solid phase diffusion within the electrode particle. One of the major difficulties in simulating Li-ion battery models is the need for simulating solid-phase diffusion in the second radial dimension r within the particle. It increases the complexity of the model as well as the computation time/cost to a great extent. This is Particularly true for the inclusion of pressure induced diffusion inside particles experiencing volume change. A computationally efficient representation for solid-phase diffusion is discussed in this paper. The operating condition has a significant effect on the validity, accuracy, and efficiency of various approximations for the solid-phase transport governed by pressure induced diffusion. This paper introduces efficient methods for solid phase reformulation - (1) parabolic profile approach and (2) a mixed order finite difference method for approximating/representing solid-phase concentration variations within the active materials of porous electrodes for macroscopic models for lithium-ion batteries. (C) 2013 The Electrochemical Society. All rights reserved.

  12. Assessment of Current Process Modeling Approaches to Determine Their Limitations, Applicability and Developments Needed for Long-Fiber Thermoplastic Injection Molded Composites

    SciTech Connect (OSTI)

    Nguyen, Ba Nghiep; Holbery, Jim; Smith, Mark T.; Kunc, Vlastimil; Norris, Robert E.; Phelps, Jay; Tucker III, Charles L.

    2006-11-30

    This report describes the status of the current process modeling approaches to predict the behavior and flow of fiber-filled thermoplastics under injection molding conditions. Previously, models have been developed to simulate the injection molding of short-fiber thermoplastics, and an as-formed composite part or component can then be predicted that contains a microstructure resulting from the constituents’ material properties and characteristics as well as the processing parameters. Our objective is to assess these models in order to determine their capabilities and limitations, and the developments needed for long-fiber injection-molded thermoplastics (LFTs). First, the concentration regimes are summarized to facilitate the understanding of different types of fiber-fiber interaction that can occur for a given fiber volume fraction. After the formulation of the fiber suspension flow problem and the simplification leading to the Hele-Shaw approach, the interaction mechanisms are discussed. Next, the establishment of the rheological constitutive equation is presented that reflects the coupled flow/orientation nature. The decoupled flow/orientation approach is also discussed which constitutes a good simplification for many applications involving flows in thin cavities. Finally, before outlining the necessary developments for LFTs, some applications of the current orientation model and the so-called modified Folgar-Tucker model are illustrated through the fiber orientation predictions for selected LFT samples.

  13. MEAN-FIELD MODELING OF AN α{sup 2} DYNAMO COUPLED WITH DIRECT NUMERICAL SIMULATIONS OF RIGIDLY ROTATING CONVECTION

    SciTech Connect (OSTI)

    Masada, Youhei; Sano, Takayoshi E-mail: sano@ile.osaka-u.ac.jp

    2014-10-10

    The mechanism of large-scale dynamos in rigidly rotating stratified convection is explored by direct numerical simulations (DNS) in Cartesian geometry. A mean-field dynamo model is also constructed using turbulent velocity profiles consistently extracted from the corresponding DNS results. By quantitative comparison between the DNS and our mean-field model, it is demonstrated that the oscillatory α{sup 2} dynamo wave, excited and sustained in the convection zone, is responsible for large-scale magnetic activities such as cyclic polarity reversal and spatiotemporal migration. The results provide strong evidence that a nonuniformity of the α-effect, which is a natural outcome of rotating stratified convection, can be an important prerequisite for large-scale stellar dynamos, even without the Ω-effect.

  14. Three-Dimensional Thermal-Electrochemical Coupled Model for Spirally Wound Large-Format Lithium-Ion Batteries (Presentation)

    SciTech Connect (OSTI)

    Lee, K. J.; Smith K.; Kim, G. H.

    2011-04-01

    This presentation discusses the behavior of spirally wound large-format Li-ion batteries with respect to their design. The objectives of the study include developing thermal and electrochemical models resolving 3-dimensional spirally wound structures of cylindrical cells, understanding the mechanisms and interactions between local electrochemical reactions and macroscopic heat and electron transfers, and developing a tool and methodology to support macroscopic designs of cylindrical Li-ion battery cells.

  15. Results from Coupled Optical and Electrical Sentaurus TCAD Models of a Gallium Phosphide on Silicon Electron Carrier Selective Contact Solar Cell

    SciTech Connect (OSTI)

    Limpert, Steven; Ghosh, Kunal; Wagner, Hannes; Bowden, Stuart; Honsberg, Christiana; Goodnick, Stephen; Bremner, Stephen; Green, Martin

    2014-06-09

    We report results from coupled optical and electrical Sentaurus TCAD models of a gallium phosphide (GaP) on silicon electron carrier selective contact (CSC) solar cell. Detailed analyses of current and voltage performance are presented for devices having substrate thicknesses of 10 μm, 50 μm, 100 μm and 150 μm, and with GaP/Si interfacial quality ranging from very poor to excellent. Ultimate potential performance was investigated using optical absorption profiles consistent with light trapping schemes of random pyramids with attached and detached rear reflector, and planar with an attached rear reflector. Results indicate Auger-limited open-circuit voltages up to 787 mV and efficiencies up to 26.7% may be possible for front-contacted devices.

  16. TOWARD LOW-COST FABRICATION OF MICROCHANNEL PROCESS TECHNOLOGIES - COST MODELING FOR MANUFACTURING DEVELOPMENT

    SciTech Connect (OSTI)

    Leith, Steven D.; King, Dale A.; Paul, Brian

    2010-11-07

    identify new paths to lower cost fabrication. Through systematic exploration of fabrication process capabilities and associated cost structures, the MBI is developing volume-sensitive cost estimation models for predicting manufacturing costs of MPT devices fabricated using different processing technologies. The process-based cost models are used to develop an understanding of the economic trade-offs between candidate processes and are utilized in a design for manufacturing approach to MPT device fabrication. In this paper we present results and analysis of the cost modeling effort to date and apply the methodology in case study of a stainless steel MPT device designed, built and tested by Pacific Northwest National Laboratory. Extensions of the model to adjacent material sets and the interaction of device designs with fabrication processes will be discussed.

  17. Validation of New Process Models for Large Injection-Molded Long-Fiber Thermoplastic Composite Structures

    SciTech Connect (OSTI)

    Nguyen, Ba Nghiep; Jin, Xiaoshi; Wang, Jin; Kunc, Vlastimil; Tucker III, Charles L.

    2012-02-23

    This report describes the work conducted under the CRADA Nr. PNNL/304 between Battelle PNNL and Autodesk whose objective is to validate the new process models developed under the previous CRADA for large injection-molded LFT composite structures. To this end, the ARD-RSC and fiber length attrition models implemented in the 2013 research version of Moldflow was used to simulate the injection molding of 600-mm x 600-mm x 3-mm plaques from 40% glass/polypropylene (Dow Chemical DLGF9411.00) and 40% glass/polyamide 6,6 (DuPont Zytel 75LG40HSL BK031) materials. The injection molding was performed by Injection Technologies, Inc. at Windsor, Ontario (under a subcontract by Oak Ridge National Laboratory, ORNL) using the mold offered by the Automotive Composite Consortium (ACC). Two fill speeds under the same back pressure were used to produce plaques under slow-fill and fast-fill conditions. Also, two gating options were used to achieve the following desired flow patterns: flows in edge-gated plaques and in center-gated plaques. After molding, ORNL performed measurements of fiber orientation and length distributions for process model validations. The structure of this report is as follows. After the Introduction (Section 1), Section 2 provides a summary of the ARD-RSC and fiber length attrition models. A summary of model implementations in the latest research version of Moldflow is given in Section 3. Section 4 provides the key processing conditions and parameters for molding of the ACC plaques. The validations of the ARD-RSC and fiber length attrition models are presented and discussed in Section 5. The conclusions will be drawn in Section 6.

  18. An atomic orbital-based formulation of analytical gradients and nonadiabatic coupling vector elements for the state-averaged complete active space self-consistent field method on graphical processing units

    SciTech Connect (OSTI)

    Snyder, James W.; Hohenstein, Edward G.; Luehr, Nathan; Martínez, Todd J.

    2015-10-21

    We recently presented an algorithm for state-averaged complete active space self-consistent field (SA-CASSCF) orbital optimization that capitalizes on sparsity in the atomic orbital basis set to reduce the scaling of computational effort with respect to molecular size. Here, we extend those algorithms to calculate the analytic gradient and nonadiabatic coupling vectors for SA-CASSCF. Combining the low computational scaling with acceleration from graphical processing units allows us to perform SA-CASSCF geometry optimizations for molecules with more than 1000 atoms. The new approach will make minimal energy conical intersection searches and nonadiabatic dynamics routine for molecular systems with O(10{sup 2}) atoms.

  19. A generalized multi-dimensional mathematical model for charging and discharging processes in a supercapacitor

    SciTech Connect (OSTI)

    Allu, Srikanth; Velamur Asokan, Badri; Shelton, William A; Philip, Bobby; Pannala, Sreekanth

    2014-01-01

    A generalized three dimensional computational model based on unied formulation of electrode- electrolyte-electrode system of a electric double layer supercapacitor has been developed. The model accounts for charge transport across the solid-liquid system. This formulation based on volume averaging process is a widely used concept for the multiphase ow equations ([28] [36]) and is analogous to porous media theory typically employed for electrochemical systems [22] [39] [12]. This formulation is extended to the electrochemical equations for a supercapacitor in a consistent fashion, which allows for a single-domain approach with no need for explicit interfacial boundary conditions as previously employed ([38]). In this model it is easy to introduce the spatio-temporal variations, anisotropies of physical properties and it is also conducive for introducing any upscaled parameters from lower length{scale simulations and experiments. Due to the irregular geometric congurations including porous electrode, the charge transport and subsequent performance characteristics of the super-capacitor can be easily captured in higher dimensions. A generalized model of this nature also provides insight into the applicability of 1D models ([38]) and where multidimensional eects need to be considered. In addition, simple sensitivity analysis on key input parameters is performed in order to ascertain the dependence of the charge and discharge processes on these parameters. Finally, we demonstarted how this new formulation can be applied to non-planar supercapacitors

  20. Integrated process modeling for the laser inertial fusion Energy (LIFE) generation system

    SciTech Connect (OSTI)

    Meier, W R; Anklam, T M; Erlandson, A C; Miles, R R; Simon, A J; Sawicki, R; Storm, E

    2009-10-22

    A concept for a new fusion-fission hybrid technology is being developed at Lawrence Livermore National Laboratory. The primary application of this technology is base-load electrical power generation. However, variants of the baseline technology can be used to 'burn' spent nuclear fuel from light water reactors or to perform selective transmutation of problematic fission products. The use of a fusion driver allows very high burn-up of the fission fuel, limited only by the radiation resistance of the fuel form and system structures. As a part of this process, integrated process models have been developed to aid in concept definition. Several models have been developed. A cost scaling model allows quick assessment of design changes or technology improvements on cost of electricity. System design models are being used to better understand system interactions and to do design trade-off and optimization studies. Here we describe the different systems models and present systems analysis results. Different market entry strategies are discussed along with potential benefits to US energy security and nuclear waste disposal. Advanced technology options are evaluated and potential benefits from additional R&D targeted at the different options is quantified.

  1. On the Bayesian Treed Multivariate Gaussian Process with Linear Model of Coregionalization

    SciTech Connect (OSTI)

    Konomi, Bledar A.; Karagiannis, Georgios; Lin, Guang

    2015-02-01

    The Bayesian treed Gaussian process (BTGP) has gained popularity in recent years because it provides a straightforward mechanism for modeling non-stationary data and can alleviate computational demands by fitting models to less data. The extension of BTGP to the multivariate setting requires us to model the cross-covariance and to propose efficient algorithms that can deal with trans-dimensional MCMC moves. In this paper we extend the cross-covariance of the Bayesian treed multivariate Gaussian process (BTMGP) to that of linear model of Coregionalization (LMC) cross-covariances. Different strategies have been developed to improve the MCMC mixing and invert smaller matrices in the Bayesian inference. Moreover, we compare the proposed BTMGP with existing multiple BTGP and BTMGP in test cases and multiphase flow computer experiment in a full scale regenerator of a carbon capture unit. The use of the BTMGP with LMC cross-covariance helped to predict the computer experiments relatively better than existing competitors. The proposed model has a wide variety of applications, such as computer experiments and environmental data. In the case of computer experiments we also develop an adaptive sampling strategy for the BTMGP with LMC cross-covariance function.

  2. Elementary model of severe plastic deformation by KoBo process

    SciTech Connect (OSTI)

    Gusak, A.; Storozhuk, N.; Danielewski, M. Korbel, A.; Bochniak, M.

    2014-01-21

    Self-consistent model of generation, interaction, and annihilation of point defects in the gradient of oscillating stresses is presented. This model describes the recently suggested method of severe plastic deformation by combination of pressure and oscillating rotations of the die along the billet axis (KoBo process). Model provides the existence of distinct zone of reduced viscosity with sharply increased concentration of point defects. This zone provides the high extrusion velocity. Presented model confirms that the Severe Plastic Deformation (SPD) in KoBo may be treated as non-equilibrium phase transition of abrupt drop of viscosity in rather well defined spatial zone. In this very zone, an intensive lateral rotational movement proceeds together with generation of point defects which in self-organized manner make rotation possible by the decrease of viscosity. The special properties of material under KoBo version of SPD can be described without using the concepts of nonequilibrium grain boundaries, ballistic jumps and amorphization. The model can be extended to include different SPD processes.

  3. New process modeling [sic], design, and control strategies for energy efficiency, high product quality, and improved productivity in the process industries. Final project report

    SciTech Connect (OSTI)

    Ray, W. Harmon

    2002-06-05

    This project was concerned with the development of process design and control strategies for improving energy efficiency, product quality, and productivity in the process industries. In particular, (i) the resilient design and control of chemical reactors, and (ii) the operation of complex processing systems, was investigated. Specific topics studied included new process modeling procedures, nonlinear controller designs, and control strategies for multiunit integrated processes. Both fundamental and immediately applicable results were obtained. The new design and operation results from this project were incorporated into computer-aided design software and disseminated to industry. The principles and design procedures have found their way into industrial practice.

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

    SciTech Connect (OSTI)

    Zachara, John M.; Brown, Gordon, E.; Lichtner, Peter C.; Ball, William

    2004-06-14

    The objectives of the overall collaborative EMSP effort (with which this project is associated) are 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 fieldscale models of geochemistry and mass transfer. The research is 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 can be upscaled for defensible field-scale predictions of uranium transport in the environment.

  5. A Model-Based Signal Processing Approach to Nuclear Explosion Monitoring

    SciTech Connect (OSTI)

    Rodgers, A; Harris, D; Pasyanos, M

    2007-03-14

    This report describes research performed under Laboratory Research and Development Project 05-ERD-019, entitled ''A New Capability for Regional High-Frequency Seismic Wave Simulation in Realistic Three-Dimensional Earth Models to Improve Nuclear Explosion Monitoring''. A more appropriate title for this project is ''A Model-Based Signal Processing Approach to Nuclear Explosion Monitoring''. This project supported research for a radically new approach to nuclear explosion monitoring as well as allowed the development new capabilities in computational seismology that can contribute to NNSA/NA-22 Programs.

  6. Coupling of Mechanical Behavior of Lithium Ion Cells to Electrochemical-Thermal Models for Battery Crush; NREL (National Renewable Energy Laboratory)

    SciTech Connect (OSTI)

    Pesaran, Ahmad; Zhang, Chao; Santhanagopalan, Shriram; Sahraei, Elham; Wierzbiki, Tom

    2015-06-15

    Propagation of failure in lithium-ion batteries during field events or under abuse is a strong function of the mechanical response of the different components in the battery. Whereas thermal and electrochemical models that capture the abuse response of batteries have been developed and matured over the years, the interaction between the mechanical behavior and the thermal response of these batteries is not very well understood. With support from the Department of Energy, NREL has made progress in coupling mechanical, thermal, and electrochemical lithium-ion models to predict the initiation and propagation of short circuits under external crush in a cell. The challenge with a cell crush simulation is to estimate the magnitude and location of the short. To address this, the model includes an explicit representation of each individual component such as the active material, current collector, separator, etc., and predicts their mechanical deformation under different crush scenarios. Initial results show reasonable agreement with experiments. In this presentation, the versatility of the approach for use with different design factors, cell formats and chemistries is explored using examples.

  7. Process Options Description for Vitrification Flowsheet Model of INEEL Sodium Bearing Waste

    SciTech Connect (OSTI)

    Nichols, Todd Travis; Taylor, Dean Dalton; Lauerhass, Lance; Barnes, Charles Marshall

    2001-02-01

    The purpose of this document is to provide the technical information to Savannah River Site (SRS) personnel that is required for the development of a basic steady-state process simulation of the vitrification treatment train of sodium bearing waste (SBW) at Idaho National Engineering and nvironmental Laboratory (INEEL). INEEL considers simulation to have an important role in the integration/optimization of treatment process trains for the High Level Waste (HLW) Program. This project involves a joint Technical Task Plan (TTP ID77WT31, Subtask C) between SRS and INEEL. The work scope of simulation is different at the two sites. This document addresses only the treatment of SBW at INEEL. The simulation model(s) is to be built by SRS for INEEL in FY-2001.

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

    SciTech Connect (OSTI)

    Zachara, John M.

    2003-06-01

    The objectives of the overall collaborative EMSP effort (with which this project is associated) are to characterize sorption and desorption processes of U(VI) on pristine and contaminated Hanford sediments over a range of sediment facies and materials properties. The research is intended to provide new insights on the mechanisms of U(VI) retardation at Hanford, and to develop approaches by which laboratory-characterized geochemical models can be upscaled for defensible predictions of uranium transport in field.

  9. Experiments to Populate and Validate a Processing Model for Polyurethane Foam: Additional Data for Structural Foams.

    SciTech Connect (OSTI)

    Rao, Rekha R.; Celina, Mathias C.; Giron, Nicholas Henry; Long, Kevin Nicholas; Russick, Edward M.

    2015-01-01

    We are developing computational models to help understand manufacturing processes, final properties and aging of structural foam, polyurethane PMDI. Th e resulting model predictions of density and cure gradients from the manufacturing process will be used as input to foam heat transfer and mechanical models. BKC 44306 PMDI-10 and BKC 44307 PMDI-18 are the most prevalent foams used in structural parts. Experiments needed to parameterize models of the reaction kinetics and the equations of motion during the foam blowing stages were described for BKC 44306 PMDI-10 in the first of this report series (Mondy et al. 2014). BKC 44307 PMDI-18 is a new foam that will be used to make relatively dense structural supports via over packing. It uses a different catalyst than those in the BKC 44306 family of foams; hence, we expect that the reaction kineti cs models must be modified. Here we detail the experiments needed to characteriz e the reaction kinetics of BKC 44307 PMDI-18 and suggest parameters for the model based on these experiments. In additi on, the second part of this report describes data taken to provide input to the preliminary nonlinear visco elastic structural response model developed for BKC 44306 PMDI-10 foam. We show that the standard cu re schedule used by KCP does not fully cure the material, and, upon temperature elevation above 150 o C, oxidation or decomposition reactions occur that alter the composition of the foam. These findings suggest that achieving a fully cured foam part with this formulation may be not be possible through therma l curing. As such, visco elastic characterization procedures developed for curing thermosets can provide only approximate material properties, since the state of the material continuously evolves during tests.

  10. Radio frequency models of novae in eruption. I. The free-free process in bipolar morphologies

    SciTech Connect (OSTI)

    Ribeiro, V. A. R. M.; Simon, T.; Woudt, P. A.; Chomiuk, L.; Munari, U.; Steffen, W.; Koning, N.; O'Brien, T. J.; Bode, M. F.

    2014-09-01

    Observations of novae at radio frequencies provide us with a measure of the total ejected mass, density profile, and kinetic energy of a nova eruption. The radio emission is typically well characterized by the free-free emission process. Most models to date have assumed spherical symmetry for the eruption, although for as long as there have been radio observations of these systems, it has been known that spherical eruptions are too simplistic a geometry. In this paper, we build bipolar models of the nova eruption, assuming the free-free process, and show the effects of varying different parameters on the radio light curves. The parameters considered include the ratio of the minor- to major-axis, the inclination angle, and shell thickness. We also show the uncertainty introduced when fitting spherical-model synthetic light curves to bipolar-model synthetic light curves. We find that the optically thick phase rises with the same power law (S {sub ?}?t {sup 2}) for both the spherical and bipolar models. In the bipolar case, there is a 'plateau' phasedepending on the thickness of the shell as well as the ratio of the minor- to major-axisbefore the final decline, which follows the same power law (S {sub ?}?t {sup 3}) as in the spherical case. Finally, fitting spherical models to the bipolar-model synthetic light curves requires, in the worst-case scenario, doubling the ejected mass, more than halving the electron temperature, and reducing the shell thickness by nearly a factor of 10. This implies that in some systems we have been over-predicting the ejected masses and under-predicting the electron temperature of the ejecta.

  11. Development of capabilities to simulate the coupled

    Office of Scientific and Technical Information (OSTI)

    the coupled thermal-hydrological-mechanical-chemical (THMC) processes during in situ oil shale production Pawar, Rajesh J. Los Alamos National Laboratory 02 PETROLEUM; 04 OIL...

  12. Vapor phase modifiers for oxidative coupling

    DOE Patents [OSTI]

    Warren, B.K.

    1991-12-17

    Volatilized metal compounds are described which are capable of retarding vapor phase alkane conversion reactions in oxidative coupling processes that convert lower alkanes to higher hydrocarbons.

  13. Modeling the electrical resistivity of deformation processed metal-metal composites

    SciTech Connect (OSTI)

    Tian, Liang; Anderson, Iver; Riedemann, Trevor; Russell, Alan

    2014-09-01

    Deformation processed metalmetal (matrixreinforcement) composites (DMMCs) are high-strength, high-conductivity in situ composites produced by severe plastic deformation. The electrical resistivity of DMMCs is rarely investigated mechanistically and tends to be slightly higher than the rule-of-mixtures prediction. In this paper, we analyze several possible physical mechanisms (i.e. phonons, interfaces, mutual solution, grain boundaries, dislocations) responsible for the electrical resistivity of DMMC systems and how these mechanisms could be affected by processing conditions (i.e. temperature, deformation processing). As an innovation, we identified and assembled the major scattering mechanisms for specific DMMC systems and modeled their electrical resistivity in combination. From this analysis, it appears that filament coarsening rather than dislocation annihilation is primarily responsible for the resistivity drop observed in these materials after annealing and that grain boundary scattering contributes to the resistivity at least at the same magnitude as does interface scattering.

  14. HYDRODYNAMIC THERMAL MODELING OF 9-CELL ILC CAVITY ELECTROPOLISHING AND IMPLICATIONS FOR IMPROVING THE EP PROCESS

    SciTech Connect (OSTI)

    Charles Reece; John Mammosser; Jun Ortega

    2008-02-12

    Multi-cell niobium cavities often obtain the highest performance levels after having been subjected to an electropolishing (EP) process. The horizontal EP process first developed at KEK/Nomura Plating for TRISTAN[1] cavities is being applied to TESLA-style cavities and other structures for the XFEL and ILC R&D. Jefferson Lab is presently carrying this activity in the US. Because the local electropolishing current density is highly temperature dependent, we have created using CFDesign a full-scale hydrodynamic model which simulates the various thermal conditions present during 9-cell cavity electropolishing. The results of these simulations are compared with exterior surface temperature data gathered during ILC cavity EP at JLab. Having benchmarked the simulation, we explore the affect of altered boundary conditions in order to evaluate potentially beneficial modifications to the current standard process.

  15. A Technical Review on Biomass Processing: Densification, Preprocessing, Modeling and Optimization

    SciTech Connect (OSTI)

    Jaya Shankar Tumuluru; Christopher T. Wright

    2010-06-01

    It is now a well-acclaimed fact that burning fossil fuels and deforestation are major contributors to climate change. Biomass from plants can serve as an alternative renewable and carbon-neutral raw material for the production of bioenergy. Low densities of 40–60 kg/m3 for lignocellulosic and 200–400 kg/m3 for woody biomass limits their application for energy purposes. Prior to use in energy applications these materials need to be densified. The densified biomass can have bulk densities over 10 times the raw material helping to significantly reduce technical limitations associated with storage, loading and transportation. Pelleting, briquetting, or extrusion processing are commonly used methods for densification. The aim of the present research is to develop a comprehensive review of biomass processing that includes densification, preprocessing, modeling and optimization. The specific objective include carrying out a technical review on (a) mechanisms of particle bonding during densification; (b) methods of densification including extrusion, briquetting, pelleting, and agglomeration; (c) effects of process and feedstock variables and biomass biochemical composition on the densification (d) effects of preprocessing such as grinding, preheating, steam explosion, and torrefaction on biomass quality and binding characteristics; (e) models for understanding the compression characteristics; and (f) procedures for response surface modeling and optimization.

  16. Quantum states for quantum processes: A toy model for ammonia inversion spectra

    SciTech Connect (OSTI)

    Arteca, Gustavo A. [Departement de Chimie et Biochimie and Biomolecular Sciences Programme, Laurentian University, Ramsey Lake Road, Sudbury, Ontario, Canada P3E 2C6 (Canada); Department of Physical Chemistry, Uppsala University, A ring ngstroemlaboratoriet, Box 259, S-751 05 Uppsala (Sweden); Tapia, O. [Department of Physical Chemistry, Uppsala University, A ring ngstroemlaboratoriet, Box 259, S-751 05 Uppsala (Sweden)

    2011-07-15

    Chemical transformations are viewed here as quantum processes modulated by external fields, that is, as shifts in reactant to product amplitudes within a quantum state represented by a linear (coherent) superposition of electronuclear basis functions; their electronic quantum numbers identify the ''chemical species.'' This basis set can be mapped from attractors built from a unique electronic configurational space that is invariant with respect to the nuclear geometry. In turn, the quantum numbers that label these basis functions and the semiclassical potentials for the electronic attractors may be used to derive reaction coordinates to monitor progress as a function of the applied field. A generalization of Feynman's three-state model for the ammonia inversion process illustrates the scheme; to enforce symmetry for the entire inversion process model and ensure invariance with respect to nuclear configurations, the three attractors and their basis functions are computed with a grid of fixed floating Gaussian functions. The external-field modulation of the effective inversion barrier is discussed within this conceptual approach. This analysis brings the descriptions of chemical processes near modern technologies that employ molecules to encode information by means of confinement and external fields.

  17. Estimation of net primary productivity using a process-based model in Gansu Province, Northwest China

    SciTech Connect (OSTI)

    Wang, Peijuan; Xie, Donghui; Zhou, Yuyu; E, Youhao; Zhu, Qijiang

    2014-01-16

    The ecological structure in the arid and semi-arid region of Northwest China with forest, grassland, agriculture, Gobi, and desert, is complex, vulnerable, and unstable. It is a challenging and sustaining job to keep the ecological structure and improve its ecological function. Net primary productivity (NPP) modeling can help to improve the understanding of the ecosystem, and therefore, improve ecological efficiency. The boreal ecosystem productivity simulator (BEPS) model provides the possibility of NPP modeling in terrestrial ecosystem, but it has some limitations for application in arid and semi-arid regions. In this paper we improve the BEPS model, in terms of its water cycle by adding the processes of infiltration and surface runoff, to be applicable in arid and semi-arid regions. We model the NPP of forest, grass, and crop in Gansu Province as an experimental area in Northwest China in 2003 using the improved BEPS model, parameterized with moderate resolution remote sensing imageries and meteorological data. The modeled NPP using improved BEPS agrees better with the ground measurements in Qilian Mountain than that with original BEPS, with a higher R2 of 0.746 and lower root mean square error (RMSE) of 46.53 gC/m2 compared to R2 of 0.662 and RMSE of 60.19 gC/m2 from original BEPS. The modeled NPP of three vegetation types using improved BEPS show evident differences compared to that using original BEPS, with the highest difference ratio of 9.21% in forest and the lowest value of 4.29% in crop. The difference ratios between different vegetation types lie on the dependence on natural water sources. The modeled NPP in five geographic zones using improved BEPS are higher than those with original BEPS, with higher difference ratio in dry zones and lower value in wet zones.

  18. Rolling Process Modeling Report: Finite-Element Prediction of Roll Separating Force and Rolling Defects

    SciTech Connect (OSTI)

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

    2014-04-23

    Pacific Northwest National Laboratory (PNNL) has been investigating manufacturing processes for the uranium-10% molybdenum (U-10Mo) alloy plate-type fuel for the U.S. high-performance research reactors. This work supports the Convert Program of the U.S. Department of Energy’s National Nuclear Security Administration (DOE/NNSA) Global Threat Reduction Initiative. This report documents modeling results of PNNL’s efforts to perform finite-element simulations to predict roll separating forces and rolling defects. Simulations were performed using a finite-element model developed using the commercial code LS-Dyna. Simulations of the hot rolling of U-10Mo coupons encapsulated in low-carbon steel have been conducted following two different schedules. Model predictions of the roll-separation force and roll-pack thicknesses at different stages of the rolling process were compared with experimental measurements. This report discusses various attributes of the rolled coupons revealed by the model (e.g., dog-boning and thickness non-uniformity).

  19. Aerosol Indirect Effect on the Grid-scale Clouds in the Two-way Coupled WRF-CMAQ: Model Description, Development, Evaluation and Regional Analysis

    SciTech Connect (OSTI)

    Yu, Shaocai; Mathur, Rohit; Pleim, Jonathan; Wong, David; Gilliam, R.; Alapaty, Kiran; Zhao, Chun; Liu, Xiaohong

    2014-10-24

    This study implemented first, second and glaciations aerosol indirect effects (AIE) on resolved clouds in the two-way coupled WRF-CMAQ modeling system by including parameterizations for both cloud drop and ice number concentrations on the basis of CMAQpredicted aerosol distributions and WRF meteorological conditions. The performance of the newly-developed WRF-CMAQ model, with alternate CAM and RRTMG radiation schemes, was evaluated with the observations from the CERES satellite and surface monitoring networks (AQS, IMPROVE, CASTNet, STN, and PRISM) over the continental U.S. (CONUS) (12-km resolution) and eastern Texas (4-km resolution) during August and September of 2006. The results at the AQS surface sites show that in August, the NMB values for PM2.5 over the eastern/western U.S (EUS/WUS) and western U.S. (WUS) are 5.3% (?0.1%) and 0.4% (-5.2%) for WRF-CMAQ/CAM (WRF-CMAQ/RRTMG), respectively. The evaluation of PM2.5 chemical composition reveals that in August, WRF-CMAQ/CAM (WRF-CMAQ/RRTMG) consistently underestimated the observed SO4 2? by -23.0% (-27.7%), -12.5% (-18.9%) and -7.9% (-14.8%) over the EUS at the CASTNet, IMPROVE and STN sites, respectively. Both models (WRF-CMAQ/CAM, WRF-CMAQ/RRTMG) overestimated the observed mean OC, EC and TC concentrations over the EUS in August at the IMPROVE sites. Both models generally underestimated the cloud field (SWCF) over the CONUS in August due to the fact that the AIE on the subgrid convective clouds was not considered when the model simulations were run at the 12 km resolution. This is in agreement with the fact that both models captured SWCF and LWCF very well for the 4-km simulation over the eastern Texas when all clouds were resolved by the finer domain. Both models generally overestimated the observed precipitation by more than 40% mainly because of significant overestimation in the southern part of the CONUS in August. The simulations of WRF-CMAQ/CAM and WRF-CMAQ/RRTMG show dramatic improvements for SWCF, LWCF

  20. Vehicle Technologies Office Merit Review 2015: Mechanistic Modeling Framework for Predicting Extreme Battery Response: Coupled Hierarchical Models for Thermal, Mechanical, Electrical and (Electro)chemical Processes

    Office of Energy Efficiency and Renewable Energy (EERE)

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

  1. Coupled modeling of a directly heated tubular solar receiver for supercritical carbon dioxide Brayton cycle: Structural and creep-fatigue evaluation

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

    Ortega, Jesus; Khivsara, Sagar; Christian, Joshua; Ho, Clifford; Dutta, Pradip

    2016-06-06

    A supercritical carbon dioxide (sCO2) Brayton cycle is an emerging high energy-density cycle undergoing extensive research due to the appealing thermo-physical properties of sCO2 and single phase operation. Development of a solar receiver capable of delivering sCO2 at 20 MPa and 700 °C is required for implementation of the high efficiency (~50%) solar powered sCO2 Brayton cycle. In this work, extensive candidate materials are review along with tube size optimization using the ASME Boiler and Pressure Vessel Code. Moreover, temperature and pressure distribution obtained from the thermal-fluid modeling (presented in a complementary publication) are used to evaluate the thermal andmore » mechanical stresses along with detailed creep-fatigue analysis of the tubes. For resulting body stresses were used to approximate the lifetime performance of the receiver tubes. A cyclic loading analysis is performed by coupling the Strain-Life approach and the Larson-Miller creep model. The structural integrity of the receiver was examined and it was found that the stresses can be withstood by specific tubes, determined by a parametric geometric analysis. The creep-fatigue analysis display the damage accumulation due to cycling and the permanent deformation on the tubes showed that the tubes can operate for the full lifetime of the receiver.« less

  2. FATE Unified Modeling Method for Spent Nuclear Fuel and Sludge Processing, Shipping and Storage - 13405

    SciTech Connect (OSTI)

    Plys, Martin; Burelbach, James; Lee, Sung Jin; Apthorpe, Robert

    2013-07-01

    A unified modeling method applicable to the processing, shipping, and storage of spent nuclear fuel and sludge has been incrementally developed, validated, and applied over a period of about 15 years at the US DOE Hanford site. The software, FATE{sup TM}, provides a consistent framework for a wide dynamic range of common DOE and commercial fuel and waste applications. It has been used during the design phase, for safety and licensing calculations, and offers a graded approach to complex modeling problems encountered at DOE facilities and abroad (e.g., Sellafield). FATE has also been used for commercial power plant evaluations including reactor building fire modeling for fire PRA, evaluation of hydrogen release, transport, and flammability for post-Fukushima vulnerability assessment, and drying of commercial oxide fuel. FATE comprises an integrated set of models for fluid flow, aerosol and contamination release, transport, and deposition, thermal response including chemical reactions, and evaluation of fire and explosion hazards. It is one of few software tools that combine both source term and thermal-hydraulic capability. Practical examples are described below, with consideration of appropriate model complexity and validation. (authors)

  3. A phenomenological finite element model of part building in the stereolithography process

    SciTech Connect (OSTI)

    Chambers, R.S.; Guess, T.R.; Hinnerichs, T.D.

    1995-03-01

    The finite element method has been used to develop the framework for a tool that can be used to model the structural deformation arising from the stereolithography build process. Such a tool when fully developed can facilitate numerical studies aimed at evaluating build parameters and build styles. Although the current software makes no attempt to capture all the physics of the process, provisions for three important build features have been made: (1) laser path history including scanning rate and depth of cure, (2) structural linkage, and (3) time varying material behavior. For demonstration purposes, a three dimensional finite element code was modified to include a phenomenological material model of solidification. The model was based on cure shrinkage and stress relaxation data collected from in-situ tests on individual strands drawn using 3D Systems` stereolithography apparatus (SLA-250). To depict the directed path of solidification within layers, a finite element birthing scheme was conceived to activate elements along the predetermined coordinate path of the laser. Structural linkage was enforced by joining element strands of layers when laser paths connect or overlap, respectively. A limited number of analyses have been performed to contrast simple build styles.

  4. Measurement and modeling of advanced coal conversion processes. 19th quarterly report, April 1, 1991--June 30, 1991

    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)

  5. Measurement and modeling of advanced coal conversion processes. Twenty-first quarterly report, October 1, 1991--December 31, 1991

    SciTech Connect (OSTI)

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

    1991-12-31

    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.

  6. Ecosystem feedbacks to climate change in California: Development, testing, and analysis using a coupled regional atmosphere and land-surface model (WRF3-CLM3.5)

    SciTech Connect (OSTI)

    Subin, Z.M.; Riley, W.J.; Kueppers, L.M.; Jin, J.; Christianson, D.S.; Torn, M.S.

    2010-11-01

    A regional atmosphere model [Weather Research and Forecasting model version 3 (WRF3)] and a land surface model [Community Land Model, version 3.5 (CLM3.5)] were coupled to study the interactions between the atmosphere and possible future California land-cover changes. The impact was evaluated on California's climate of changes in natural vegetation under climate change and of intentional afforestation. The ability of WRF3 to simulate California's climate was assessed by comparing simulations by WRF3-CLM3.5 and WRF3-Noah to observations from 1982 to 1991. Using WRF3-CLM3.5, the authors performed six 13-yr experiments using historical and future large-scale climate boundary conditions from the Geophysical Fluid Dynamics Laboratory Climate Model version 2.1 (GFDL CM2.1). The land-cover scenarios included historical and future natural vegetation from the Mapped Atmosphere-Plant-Soil System-Century 1 (MC1) dynamic vegetation model, in addition to a future 8-million-ha California afforestation scenario. Natural vegetation changes alone caused summer daily-mean 2-m air temperature changes of -0.7 to +1 C in regions without persistent snow cover, depending on the location and the type of vegetation change. Vegetation temperature changes were much larger than the 2-m air temperature changes because of the finescale spatial heterogeneity of the imposed vegetation change. Up to 30% of the magnitude of the summer daily-mean 2-m air temperature increase and 70% of the magnitude of the 1600 local time (LT) vegetation temperature increase projected under future climate change were attributable to the climate-driven shift in land cover. The authors projected that afforestation could cause local 0.2-1.2 C reductions in summer daily-mean 2-m air temperature and 2.0-3.7 C reductions in 1600 LT vegetation temperature for snow-free regions, primarily because of increased evapotranspiration. Because some of these temperature changes are of comparable magnitude to those projected under

  7. Processing system of jaws tomograms for pathology identification and surgical guide modeling

    SciTech Connect (OSTI)

    Putrik, M. B. Ivanov, V. Yu.; Lavrentyeva, Yu. E.

    2015-11-17

    The aim of the study is to create an image processing system, which allows dentists to find pathological resorption and to build surgical guide surface automatically. X-rays images of jaws from cone beam tomography or spiral computed tomography are the initial data for processing. One patient’s examination always includes up to 600 images (or tomograms), that’s why the development of processing system for fast automation search of pathologies is necessary. X-rays images can be useful not for only illness diagnostic but for treatment planning too. We have studied the case of dental implantation – for successful surgical manipulations surgical guides are used. We have created a processing system that automatically builds jaw and teeth boundaries on the x-ray image. After this step, obtained teeth boundaries used for surgical guide surface modeling and jaw boundaries limit the area for further pathologies search. Criterion for the presence of pathological resorption zones inside the limited area is based on statistical investigation. After described actions, it is possible to manufacture surgical guide using 3D printer and apply it in surgical operation.

  8. Physiochemical Evidence of Faulting Processes and Modeling of Fluid in Evolving Fault Systems in Southern California

    SciTech Connect (OSTI)

    Boles, James

    2013-05-24

    Our study targets recent (Plio-Pleistocene) faults and young (Tertiary) petroleum fields in southern California. Faults include the Refugio Fault in the Transverse Ranges, the Ellwood Fault in the Santa Barbara Channel, and most recently the Newport- Inglewood in the Los Angeles Basin. Subsurface core and tubing scale samples, outcrop samples, well logs, reservoir properties, pore pressures, fluid compositions, and published structural-seismic sections have been used to characterize the tectonic/diagenetic history of the faults. As part of the effort to understand the diagenetic processes within these fault zones, we have studied analogous processes of rapid carbonate precipitation (scaling) in petroleum reservoir tubing and manmade tunnels. From this, we have identified geochemical signatures in carbonate that characterize rapid CO2 degassing. These data provide constraints for finite element models that predict fluid pressures, multiphase flow patterns, rates and patterns of deformation, subsurface temperatures and heat flow, and geochemistry associated with large fault systems.

  9. Laser scanner data processing and 3D modeling using a free and open source software

    SciTech Connect (OSTI)

    Gabriele, Fatuzzo; Michele, Mangiameli Giuseppe, Mussumeci; Salvatore, Zito

    2015-03-10

    The laser scanning is a technology that allows in a short time to run the relief geometric objects with a high level of detail and completeness, based on the signal emitted by the laser and the corresponding return signal. When the incident laser radiation hits the object to detect, then the radiation is reflected. The purpose is to build a three-dimensional digital model that allows to reconstruct the reality of the object and to conduct studies regarding the design, restoration and/or conservation. When the laser scanner is equipped with a digital camera, the result of the measurement process is a set of points in XYZ coordinates showing a high density and accuracy with radiometric and RGB tones. In this case, the set of measured points is called “point cloud” and allows the reconstruction of the Digital Surface Model. Even the post-processing is usually performed by closed source software, which is characterized by Copyright restricting the free use, free and open source software can increase the performance by far. Indeed, this latter can be freely used providing the possibility to display and even custom the source code. The experience started at the Faculty of Engineering in Catania is aimed at finding a valuable free and open source tool, MeshLab (Italian Software for data processing), to be compared with a reference closed source software for data processing, i.e. RapidForm. In this work, we compare the results obtained with MeshLab and Rapidform through the planning of the survey and the acquisition of the point cloud of a morphologically complex statue.

  10. Heat transfer modelling of the saltstone pouring and curing process. Task Number: 93-016-0

    SciTech Connect (OSTI)

    Shadday, M.A. Jr.

    1993-11-01

    A byproduct of the in tank precipitation, ITP, process will be 25 million gallons of low-level salt solution. This salt solution will be mixed with cement and a flyash/slag mixture and solidified in surface vaults in the Z-area Saltstone Facility. The curing process of saltstone involves exothermic reactions, and there is a maximum temperature limit of 90{degree}C for the curing saltstone. If this temperature limit is exceeded, the physical properties of the saltstone can be degraded. A heat transfer model of the saltstone pouring and curing process has been developed that predicts transient temperature distributions in the curing saltstone. The purpose of this model is to predict peak temperatures as functions of the several independent variables in this process: pour temperature, the pour schedule, and seasonal variations in the ambient temperature. The peak temperature of the saltstone is very sensitive to the internal heat generation that accompanies the curing process. Most of the energy is released over a short period of several hours, and the balance is released slowly over a period of time that can be in excess of a month. This long term low level internal heat generation is difficult to measure in laboratory calorimetry tests, and it can significantly influence the peak temperature in the saltstone. Due to the low thermal conductivity of the saltstone, the central region of the poured saltstone will essentially heat up adiabatically. The time dependence of the internal heat generation rate was determined from an analysis of the 1991 pilot pour test. With a pour schedule of eight hours a day and five days a week in the summer, the model predicts that the saltstone will have a peak temperature of 98 C with a pour temperature of 45 C, and a peak temperature of 88 C with a pour temperature of 30 C. With a pour schedule of three days a week, the peak temperature will be 88{degree}C with a pour temperature of 45 C, and 80 C with a pour temperature of 30 C.

  11. Simulation of decay heat removal by natural convection in a pool type fast reactor model-ramona-with coupled 1D/2D thermal hydraulic code system

    SciTech Connect (OSTI)

    Kasinathan, N.; Rajakumar, A.; Vaidyanathan, G.; Chetal, S.C.

    1995-09-01

    Post shutdown decay heat removal is an important safety requirement in any nuclear system. In order to improve the reliability of this function, Liquid metal (sodium) cooled fast breeder reactors (LMFBR) are equipped with redundant hot pool dipped immersion coolers connected to natural draught air cooled heat exchangers through intermediate sodium circuits. During decay heat removal, flow through the core, immersion cooler primary side and in the intermediate sodium circuits are also through natural convection. In order to establish the viability and validate computer codes used in making predictions, a 1:20 scale experimental model called RAMONA with water as coolant has been built and experimental simulation of decay heat removal situation has been performed at KfK Karlsruhe. Results of two such experiments have been compiled and published as benchmarks. This paper brings out the results of the numerical simulation of one of the benchmark case through a 1D/2D coupled code system, DHDYN-1D/THYC-2D and the salient features of the comparisons. Brief description of the formulations of the codes are also included.

  12. Process Options Description for Vitrification Flowsheet Model of INEEL Sodium Bearing Waste

    SciTech Connect (OSTI)

    Nichols, T.T.; Taylor, D.D.; Lauerhass, L.; Barnes, C.M.

    2002-02-21

    The technical information required for the development of a basic steady-state process simulation of the vitrification treatment train of sodium bearing waste (SBW) at Idaho National Engineering and Environmental Laboratory (INEEL) is presented. The objective of the modeling effort is to provide the predictive capability required to optimize an entire treatment train and assess system-wide impacts of local changes at individual unit operations, with the aim of reducing the schedule and cost of future process/facility design efforts. All the information required a priori for engineers to construct and link unit operation modules in a commercial software simulator to represent the alternative treatment trains is presented. The information is of a mid- to high-level nature and consists of the following: (1) a description of twenty-four specific unit operations--their operating conditions and constraints, primary species and key outputs, and the initial modeling approaches that will be used in the first year of the simulation's development; (2) three potential configurations of the unit operations (trains) and their interdependencies via stream connections; and (3) representative stream compositional makeups.

  13. Direct in situ measurement of coupled magnetostructural evolution in a ferromagnetic shape memory alloy and its theoretical modeling

    SciTech Connect (OSTI)

    Pramanick, Abhijit; Shapiro, Steve M.; Glavic, Artur; Samolyuk, German; Aczel, Adam A.; Lauter, Valeria; Ambaye, Haile; Gai, Zheng; Ma, Jie; Stoica, Alexandru D.; Stocks, G. Malcolm; Wimmer, Sebastian; Wang, Xun -Li

    2015-10-14

    In this study, ferromagnetic shape memory alloys (FSMAs) have shown great potential as active components in next generation smart devices due to their exceptionally large magnetic-field-induced strains and fast response times. During application of magnetic fields in FSMAs, as is common in several magnetoelastic smart materials, there occurs simultaneous rotation of magnetic moments and reorientation of twin variants, resolving which, although critical for design of new materials and devices, has been difficult to achieve quantitatively with current characterization methods. At the same time, theoretical modeling of these phenomena also faced limitations due to uncertainties in values of physical properties such as magnetocrystalline anisotropy energy (MCA), especially for off-stoichiometric FSMA compositions. Here, in situ polarized neutron diffraction is used to measure directly the extents of both magnetic moments rotation and crystallographic twin-reorientation in an FSMA single crystal during the application of magnetic fields. Additionally, high-resolution neutron scattering measurements and first-principles calculations based on fully relativistic density functional theory are used to determine accurately the MCA for the compositionally disordered alloy of Ni2Mn1.14Ga0.86. The results from these state-of-the-art experiments and calculations are self-consistently described within a phenomenological framework, which provides quantitative insights into the energetics of magnetostructural coupling in FSMAs. Based on the current model, the energy for magnetoelastic twin boundaries propagation for the studied alloy is estimated to be ~150kJ/m3.

  14. Stochastic dynamics of small ensembles of non-processive molecular motors: The parallel cluster model

    SciTech Connect (OSTI)

    Erdmann, Thorsten; Albert, Philipp J.; Schwarz, Ulrich S.

    2013-11-07

    Non-processive molecular motors have to work together in ensembles in order to generate appreciable levels of force or movement. In skeletal muscle, for example, hundreds of myosin II molecules cooperate in thick filaments. In non-muscle cells, by contrast, small groups with few tens of non-muscle myosin II motors contribute to essential cellular processes such as transport, shape changes, or mechanosensing. Here we introduce a detailed and analytically tractable model for this important situation. Using a three-state crossbridge model for the myosin II motor cycle and exploiting the assumptions of fast power stroke kinetics and equal load sharing between motors in equivalent states, we reduce the stochastic reaction network to a one-step master equation for the binding and unbinding dynamics (parallel cluster model) and derive the rules for ensemble movement. We find that for constant external load, ensemble dynamics is strongly shaped by the catch bond character of myosin II, which leads to an increase of the fraction of bound motors under load and thus to firm attachment even for small ensembles. This adaptation to load results in a concave force-velocity relation described by a Hill relation. For external load provided by a linear spring, myosin II ensembles dynamically adjust themselves towards an isometric state with constant average position and load. The dynamics of the ensembles is now determined mainly by the distribution of motors over the different kinds of bound states. For increasing stiffness of the external spring, there is a sharp transition beyond which myosin II can no longer perform the power stroke. Slow unbinding from the pre-power-stroke state protects the ensembles against detachment.

  15. Modeling of ion-acoustic soliton excitation through decay process of a localized perturbation

    SciTech Connect (OSTI)

    Pajouh, H. Hakimi; Abbasi, H.

    2008-08-15

    The possibility of the nonlinear decay of a localized perturbation into the ion-acoustic solitons is studied. The present paper is a theoretical attempt to model the experimental soliton excitation [S. Yi et al., Phys. Plasmas 4, 2436 (1997)] in which solitons are excited by a grid modulating near the ion plasma frequency. It has been reported that a localized wave was created near the grid that would decay nonlinearly into the ion-acoustic soliton and a wave packet [T. E. Sheridan et al., Phys. Plasmas 5, 3165 (1998)]. For this purpose, an unbounded plasma composed of the cold positively charged ions and hot electrons is considered. Electron trapping is included in the model as the result of their nonlinear resonant interaction with the localized potential well. A Gaussian initial perturbation is used to model the localized perturbation. The numerical calculation through a modified Korteweg-de Vries equation simulates the decay of the initial Gaussian perturbation into several ion-acoustic solitons and a wave packet. It is shown that the electron trapping has an essential influence on the decay process.

  16. Modeling Ion-Exchange Processing With Spherical Resins For Cesium Removal

    SciTech Connect (OSTI)

    Hang, T.; Nash, C. A.; Aleman, S. E.

    2012-09-19

    The spherical Resorcinol-Formaldehyde and hypothetical spherical SuperLig(r) 644 ion-exchange resins are evaluated for cesium removal from radioactive waste solutions. Modeling results show that spherical SuperLig(r) 644 reduces column cycling by 50% for high-potassium solutions. Spherical Resorcinol Formaldehyde performs equally well for the lowest-potassium wastes. Less cycling reduces nitric acid usage during resin elution and sodium addition during resin regeneration, therefore, significantly decreasing life-cycle operational costs. A model assessment of the mechanism behind ''cesium bleed'' is also conducted. When a resin bed is eluted, a relatively small amount of cesium remains within resin particles. Cesium can bleed into otherwise decontaminated product in the next loading cycle. The bleed mechanism is shown to be fully isotherm-controlled vs. mass transfer controlled. Knowledge of residual post-elution cesium level and resin isotherm can be utilized to predict rate of cesium bleed in a mostly non-loaded column. Overall, this work demonstrates the versatility of the ion-exchange modeling to study the effects of resin characteristics on processing cycles, rates, and cold chemical consumption. This evaluation justifies further development of a spherical form of the SL644 resin.

  17. Vibronic coupling simulations for linear and nonlinear optical...

    Office of Scientific and Technical Information (OSTI)

    optical processes: Theory Citation Details In-Document Search Title: Vibronic coupling simulations for linear and nonlinear optical processes: Theory A comprehensive vibronic ...

  18. Vehicle Technologies Office Merit Review 2014: Coupling of Mechanical Behavior of Cell Components to Electrochemical-Thermal Models for Computer-Aided Engineering of Batteries under Abuse

    Broader source: Energy.gov [DOE]

    Presentation given by NREL at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about coupling of mechanical behavior of cell...

  19. Monitoring CO 2 sequestration into deep saline aquifer and associated salt intrusion using coupled multiphase flow modeling and time lapse electrical resistivity tomography

    SciTech Connect (OSTI)

    Chuan Lu; CHI Zhang; Hai Hanag; Timothy C. Johnson

    2014-04-01

    Successful geological storage and sequestration of carbon dioxide (CO2) require efficient monitoring of the migration of CO2 plume during and after large-scale injection in order to verify the containment of the injected CO2 within the target formation and to evaluate potential leakage risk. Field studies have shown that surface and cross-borehole electrical resistivity tomography (ERT) can be a useful tool in imaging and characterizing solute transport in heterogeneous subsurface. In this synthetic study, we have coupled a 3-D multiphase flow model with a parallel 3-D time-lapse ERT inversion code to explore the feasibility of using time-lapse ERT for simultaneously monitoring the migration of CO2 plume in deep saline formation and potential brine intrusion into shallow fresh water aquifer. Direct comparisons of the inverted CO2 plumes resulting from ERT with multiphase flow simulation results indicate the ERT could be used to delineate the migration of CO2 plume. Detailed comparisons on the locations, sizes and shapes of CO2 plume and intruded brine plumes suggest that ERT inversion tends to underestimate the area review of the CO2 plume, but overestimate the thickness and total volume of the CO2 plume. The total volume of intruded brine plumes is overestimated as well. However, all discrepancies remain within reasonable ranges. Our study suggests that time-lapse ERT is a useful monitoring tool in characterizing the movement of injected CO2 into deep saline aquifer and detecting potential brine intrusion under large-scale field injection conditions.

  20. A process for evaluation and state approval of an emergency response atmospheric dispersion model for Rocky Flats, Colorado

    SciTech Connect (OSTI)

    Hodgin, C.R.

    1991-11-06

    This document contains copies of the vugraphs used by C. R. Hodgin for the November 6, 1991 presentation summarizing the process to be used for evaluation of the Emergency Response Dispersion Model. (MHB)

  1. Nonlinear interaction of meta-atoms through optical coupling

    SciTech Connect (OSTI)

    Slobozhanyuk, A. P.; Kapitanova, P. V.; Filonov, D. S.; Belov, P. A.; Powell, D. A.; Shadrivov, I. V.; Kivshar, Yu. S.; Nonlinear Physics Centre and Centre for Ultrahigh-bandwidth Devices for Optical Systems , Australian National University, Canberra, ACT 0200 ; Lapine, M.; McPhedran, R. C.

    2014-01-06

    We propose and experimentally demonstrate a multi-frequency nonlinear coupling mechanism between split-ring resonators. We engineer the coupling between two microwave resonators through optical interaction, whilst suppressing the direct electromagnetic coupling. This allows for a power-dependent interaction between the otherwise independent resonators, opening interesting opportunities to address applications in signal processing, filtering, directional coupling, and electromagnetic compatibility.

  2. Simulation of the Two Stages Stretch-Blow Molding Process: Infrared Heating and Blowing Modeling

    SciTech Connect (OSTI)

    Bordival, M.; Schmidt, F. M.; Le Maoult, Y.; Velay, V. [CROMeP - Ecole des Mines d'Albi Carmaux - Campus Jarlard - 81013 Albi cedex 09 (France)

    2007-05-17

    In the Stretch-Blow Molding (SBM) process, the temperature distribution of the reheated perform affects drastically the blowing kinematic, the bottle thickness distribution, as well as the orientation induced by stretching. Consequently, mechanical and optical properties of the final bottle are closely related to heating conditions. In order to predict the 3D temperature distribution of a rotating preform, numerical software using control-volume method has been developed. Since PET behaves like a semi-transparent medium, the radiative flux absorption was computed using Beer Lambert law. In a second step, 2D axi-symmetric simulations of the SBM have been developed using the finite element package ABAQUS registered . Temperature profiles through the preform wall thickness and along its length were computed and applied as initial condition. Air pressure inside the preform was not considered as an input variable, but was automatically computed using a thermodynamic model. The heat transfer coefficient applied between the mold and the polymer was also measured. Finally, the G'sell law was used for modeling PET behavior. For both heating and blowing stage simulations, a good agreement has been observed with experimental measurements. This work is part of the European project ''APT{sub P}ACK'' (Advanced knowledge of Polymer deformation for Tomorrow's PACKaging)

  3. Nonlinear process model based control of a propylene sidestream draw column

    SciTech Connect (OSTI)

    Riggs, J.B. )

    1990-11-01

    While sidestream draw columns offer the incentives of reduced capital and operating expenses, they also pose more challenging control problems than ordinary distillation columns. This paper describes the application of nonlinear process model based control (PMBC) for composition control of all product streams for a simulation of a distillation column with a liquid sidestream draw. A tray-to-tray simulator of an industrial propylene/propane column that considers 5-min composition analyzer dead time was used to test the nonlinear PMBC controller for setpoint changes, a feed flow rate change, and feed composition changes. The nonlinear PMBC controller used an approximate model based upon the Smoker equation directly to make control decisions. The nonlinear PMBC controller exhibits excellent control performance for all test cases with a maximum relative deviation of the impurity from setpoint of about 10% for the two product streams. The nonlinear PMBC controller provides significantly improved control performance over a conventional single loop control scheme that is currently in industrial use.

  4. Report of Separate Effects Testing for Modeling of Metallic Fuel Casting Process

    SciTech Connect (OSTI)

    Crapps, Justin M.; Galloway, Jack D.; Decroix, David S.; Korzekwa, David A.; Aikin, Robert M. Jr.; Unal, Cetin; Fielding, R.; Kennedy, R

    2012-06-29

    In order to give guidance regarding the best investment of time and effort in experimental determination of parameters defining the casting process, a Flow-3D model of the casting process was used to investigate the most influential parameters regarding void fraction of the solidified rods and solidification speed for fluid flow parameters, liquid heat transfer parameters, and solid heat transfer parameters. Table 1 summarizes the most significant variables for each of the situations studied. A primary, secondary, and tertiary effect is provided for fluid flow parameters (impacts void fraction) and liquid heat transfer parameters (impacts solidification). In Table 1, the wetting angle represents the angle between the liquid and mold surface as pictured in Figure 1. The viscosity is the dynamic viscosity of the liquid and the surface tension is the property of the surface of a liquid that allows it to resist an external force. When only considering solid heat transfer properties, the variations from case to case were very small. Details on this conclusion are provided in the section considering solid heat transfer properties. The primary recommendation of the study is to measure the fluid flow parameters, specifically the wetting angle, surface tension, and dynamic viscosity, in order of importance, as well as the heat transfer parameters latent heat and specific heat of the liquid alloy. The wetting angle and surface tension can be measured simultaneously using the sessile drop method. It is unclear whether there is a temperature dependency in these properties. Thus measurements for all three parameters are requested at 1340, 1420, and 1500 degrees Celsius, which correspond to the minimum, middle, and maximum temperatures of the liquid alloy during the process. In addition, the heat transfer coefficient between the mold and liquid metal, the latent heat of transformation, and the specific heat of the liquid metal all have strong influences on solidification. These

  5. Los Alamos Waste Management Cost Estimation Model; Final report: Documentation of waste management process, development of Cost Estimation Model, and model reference manual

    SciTech Connect (OSTI)

    Matysiak, L.M.; Burns, M.L.

    1994-03-01

    This final report completes the Los Alamos Waste Management Cost Estimation Project, and includes the documentation of the waste management processes at Los Alamos National Laboratory (LANL) for hazardous, mixed, low-level radioactive solid and transuranic waste, development of the cost estimation model and a user reference manual. The ultimate goal of this effort was to develop an estimate of the life cycle costs for the aforementioned waste types. The Cost Estimation Model is a tool that can be used to calculate the costs of waste management at LANL for the aforementioned waste types, under several different scenarios. Each waste category at LANL is managed in a separate fashion, according to Department of Energy requirements and state and federal regulations. The cost of the waste management process for each waste category has not previously been well documented. In particular, the costs associated with the handling, treatment and storage of the waste have not been well understood. It is anticipated that greater knowledge of these costs will encourage waste generators at the Laboratory to apply waste minimization techniques to current operations. Expected benefits of waste minimization are a reduction in waste volume, decrease in liability and lower waste management costs.

  6. Non-Linear Luminescent Coupling in Series-Connected Multijunction Solar Cells

    SciTech Connect (OSTI)

    Steiner, M. A.; Geisz, J. F.

    2012-06-18

    The assumption of superposition or linearity of photocurrent with solar flux is widespread for calculations and measurements of solar cells. The well-known effect of luminescent coupling in multijunction solar cells has also been assumed to be linear with excess current. Here we show significant non-linearities in luminescent coupling in III-V multijunction solar cells and propose a simple model based on competition between radiative and nonradiative processes in the luminescent junction to explain these non-linearities. We demonstrate a technique for accurately measuring the junction photocurrents under a specified reference spectrum, that accounts for and quantifies luminescent coupling effects.

  7. Statistical circuit simulation with measurement-based active device models: Implications for process control and IC manufacturability

    SciTech Connect (OSTI)

    Root, D.E.; McGinty, D.; Hughes, B.

    1995-12-31

    This paper presents a new approach to statistical active circuit design which unifies device parametric-based process control and non-parametric circuit simulation. Predictions of circuit sensitivity to process variation and yield-loss of circuits fabricated in two different GaAs IC processes are described. The simulations make use of measurement-based active device models which are not formulated in terms of conventional parametric statistical variables. The technique is implemented in commercially available simulation software (HP MDS).

  8. Modeling of hydrologic conditions and solute movement in processed oil shale waste embankments under simulated climatic conditions

    SciTech Connect (OSTI)

    Reeves, T.L.; Turner, J.P.; Hasfurther, V.R.; Skinner, Q.D.

    1992-06-01

    The scope of this program is to study interacting hydrologic, geotechnical, and chemical factors affecting the behavior and disposal of combusted processed oil shale. The research combines bench-scale testing with large scale research sufficient to describe commercial scale embankment behavior. The large scale approach was accomplished by establishing five lysimeters, each 7.3 {times} 3.0 {times} 3.0 m deep, filled with processed oil shale that has been retorted and combusted by the Lurgi-Ruhrgas (Lurgi) process. Approximately 400 tons of Lurgi processed oil shale waste was provided by RBOSC to carry out this study. Research objectives were designed to evaluate hydrologic, geotechnical, and chemical properties and conditions which would affect the design and performance of large-scale embankments. The objectives of this research are: assess the unsaturated movement and redistribution of water and the development of potential saturated zones and drainage in disposed processed oil shale under natural and simulated climatic conditions; assess the unsaturated movement of solubles and major chemical constituents in disposed processed oil shale under natural and simulated climatic conditions; assess the physical and constitutive properties of the processed oil shale and determine potential changes in these properties caused by disposal and weathering by natural and simulated climatic conditions; assess the use of previously developed computer model(s) to describe the infiltration, unsaturated movement, redistribution, and drainage of water in disposed processed oil shale; evaluate the stability of field scale processed oil shale solid waste embankments using computer models.

  9. Modeling of hydrologic conditions and solute movement in processed oil shale waste embankments under simulated climatic conditions

    SciTech Connect (OSTI)

    Reeves, T.L.; Turner, J.P.; Hasfurther, V.R.; Skinner, Q.D.

    1992-06-01

    The scope of this program is to study interacting hydrologic, geotechnical, and chemical factors affecting the behavior and disposal of combusted processed oil shale. The research combines bench-scale testing with large scale research sufficient to describe commercial scale embankment behavior. The large scale approach was accomplished by establishing five lysimeters, each 7.3 [times] 3.0 [times] 3.0 m deep, filled with processed oil shale that has been retorted and combusted by the Lurgi-Ruhrgas (Lurgi) process. Approximately 400 tons of Lurgi processed oil shale waste was provided by RBOSC to carry out this study. Research objectives were designed to evaluate hydrologic, geotechnical, and chemical properties and conditions which would affect the design and performance of large-scale embankments. The objectives of this research are: assess the unsaturated movement and redistribution of water and the development of potential saturated zones and drainage in disposed processed oil shale under natural and simulated climatic conditions; assess the unsaturated movement of solubles and major chemical constituents in disposed processed oil shale under natural and simulated climatic conditions; assess the physical and constitutive properties of the processed oil shale and determine potential changes in these properties caused by disposal and weathering by natural and simulated climatic conditions; assess the use of previously developed computer model(s) to describe the infiltration, unsaturated movement, redistribution, and drainage of water in disposed processed oil shale; evaluate the stability of field scale processed oil shale solid waste embankments using computer models.

  10. Enhanced Geothermal Systems Research and Development: Models of Subsurface Chemical Processes Affecting Fluid Flow

    SciTech Connect (OSTI)

    Moller, Nancy; Weare J. H.

    2008-05-29

    Successful exploitation of the vast amount of heat stored beneath the earth’s surface in hydrothermal and fluid-limited, low permeability geothermal resources would greatly expand the Nation’s domestic energy inventory and thereby promote a more secure energy supply, a stronger economy and a cleaner environment. However, a major factor limiting the expanded development of current hydrothermal resources as well as the production of enhanced geothermal systems (EGS) is insufficient knowledge about the chemical processes controlling subsurface fluid flow. With funding from past grants from the DOE geothermal program and other agencies, we successfully developed advanced equation of state (EOS) and simulation technologies that accurately describe the chemistry of geothermal reservoirs and energy production processes via their free energies for wide XTP ranges. Using the specific interaction equations of Pitzer, we showed that our TEQUIL chemical models can correctly simulate behavior (e.g., mineral scaling and saturation ratios, gas break out, brine mixing effects, down hole temperatures and fluid chemical composition, spent brine incompatibilities) within the compositional range (Na-K-Ca-Cl-SO4-CO3-H2O-SiO2-CO2(g)) and temperature range (T < 350°C) associated with many current geothermal energy production sites that produce brines with temperatures below the critical point of water. The goal of research carried out under DOE grant DE-FG36-04GO14300 (10/1/2004-12/31/2007) was to expand the compositional range of our Pitzer-based TEQUIL fluid/rock interaction models to include the important aluminum and silica interactions (T < 350°C). Aluminum is the third most abundant element in the earth’s crust; and, as a constituent of aluminosilicate minerals, it is found in two thirds of the minerals in the earth’s crust. The ability to accurately characterize effects of temperature, fluid mixing and interactions between major rock-forming minerals and hydrothermal and

  11. Measurement and modeling of advanced coal conversion processes, Volume I, Part 2. Final report, September 1986--September 1993

    SciTech Connect (OSTI)

    Solomon, P.R.; Serio, M.A.; Hamblen, D.G.

    1995-09-01

    This report describes work pertaining to the development of models for coal gasification and combustion processes. This volume, volume 1, part 2, contains research progress in the areas of large particle oxidation at high temperatures, large particle, thick-bed submodels, sulfur oxide/nitrogen oxides submodels, and comprehensive model development and evaluation.

  12. An Integrated Approach Linking Process to Structural Modeling With Microstructural Characterization for Injections-Molded Long-Fiber Thermoplastics

    SciTech Connect (OSTI)

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

    2008-09-01

    The objective of our work is to enable the optimum design of lightweight automotive structural components using injection-molded long fiber thermoplastics (LFTs). To this end, an integrated approach that links process modeling to structural analysis with experimental microstructural characterization and validation is developed. First, process models for LFTs are developed and implemented into processing codes (e.g. ORIENT, Moldflow) to predict the microstructure of the as-formed composite (i.e. fiber length and orientation distributions). In parallel, characterization and testing methods are developed to obtain necessary microstructural data to validate process modeling predictions. Second, the predicted LFT composite microstructure is imported into a structural finite element analysis by ABAQUS to determine the response of the as-formed composite to given boundary conditions. At this stage, constitutive models accounting for the composite microstructure are developed to predict various types of behaviors (i.e. thermoelastic, viscoelastic, elastic-plastic, damage, fatigue, and impact) of LFTs. Experimental methods are also developed to determine material parameters and to validate constitutive models. Such a process-linked-structural modeling approach allows an LFT composite structure to be designed with confidence through numerical simulations. Some recent results of our collaborative research will be illustrated to show the usefulness and applications of this integrated approach.

  13. Off-Highway Gasoline Consuption Estimation Models Used in the Federal Highway Administration Attribution Process: 2008 Updates

    SciTech Connect (OSTI)

    Hwang, Ho-Ling; Davis, Stacy Cagle

    2009-12-01

    This report is designed to document the analysis process and estimation models currently used by the Federal Highway Administration (FHWA) to estimate the off-highway gasoline consumption and public sector fuel consumption. An overview of the entire FHWA attribution process is provided along with specifics related to the latest update (2008) on the Off-Highway Gasoline Use Model and the Public Use of Gasoline Model. The Off-Highway Gasoline Use Model is made up of five individual modules, one for each of the off-highway categories: agricultural, industrial and commercial, construction, aviation, and marine. This 2008 update of the off-highway models was the second major update (the first model update was conducted during 2002-2003) after they were originally developed in mid-1990. The agricultural model methodology, specifically, underwent a significant revision because of changes in data availability since 2003. Some revision to the model was necessary due to removal of certain data elements used in the original estimation method. The revised agricultural model also made use of some newly available information, published by the data source agency in recent years. The other model methodologies were not drastically changed, though many data elements were updated to improve the accuracy of these models. Note that components in the Public Use of Gasoline Model were not updated in 2008. A major challenge in updating estimation methods applied by the public-use model is that they would have to rely on significant new data collection efforts. In addition, due to resource limitation, several components of the models (both off-highway and public-us models) that utilized regression modeling approaches were not recalibrated under the 2008 study. An investigation of the Environmental Protection Agency's NONROAD2005 model was also carried out under the 2008 model update. Results generated from the NONROAD2005 model were analyzed, examined, and compared, to the extent that is

  14. Yukawa radiative corrections to the triple self-couplings of neutral CP-even Higgs bosons and to the H {sup {yields}} hh decay rate within the minimal supersymmetric standard model

    SciTech Connect (OSTI)

    Philippov, Yu. P.

    2007-07-15

    Within the minimal supersymmetric standard model, four self-couplings, {lambda}{sub hhh}, {lambda}{sub hhH}, {lambda}{sub hHH}, and {lambda}{sub HHH}, and the decay rate {gamma}(H {sup {yields}} hh) are calculated with allowance for one-loop corrections induced by the contribution of the t, b, and c quarks, the {tau} lepton, and the corresponding superpartners and with the aid of the on-shell renormalization scheme. An analysis of the dependences of these features on tan{beta} and the mass of the A Higgs boson, M{sub A}, shows that, in a specific region of the model-parameter space, the calculated corrections can make a significant contribution to the couplings and decay rate in the one-loop approximation. The inclusion of the radiative corrections in question is mandatory in reconstructing the Higgs potential.

  15. USE OF AN EQUILIBRIUM MODEL TO FORECAST DISSOLUTION EFFECTIVENESS, SAFETY IMPACTS, AND DOWNSTREAM PROCESSABILITY FROM OXALIC ACID AIDED SLUDGE REMOVAL IN SAVANNAH RIVER SITE HIGH LEVEL WASTE TANKS 1-15

    SciTech Connect (OSTI)

    KETUSKY, EDWARD

    2005-10-31

    This thesis details a graduate research effort written to fulfill the Magister of Technologiae in Chemical Engineering requirements at the University of South Africa. The research evaluates the ability of equilibrium based software to forecast dissolution, evaluate safety impacts, and determine downstream processability changes associated with using oxalic acid solutions to dissolve sludge heels in Savannah River Site High Level Waste (HLW) Tanks 1-15. First, a dissolution model is constructed and validated. Coupled with a model, a material balance determines the fate of hypothetical worst-case sludge in the treatment and neutralization tanks during each chemical adjustment. Although sludge is dissolved, after neutralization more is created within HLW. An energy balance determines overpressurization and overheating to be unlikely. Corrosion induced hydrogen may overwhelm the purge ventilation. Limiting the heel volume treated/acid added and processing the solids through vitrification is preferred and should not significantly increase the number of glass canisters.

  16. Updraft Fixed Bed Gasification Aspen Plus Model

    SciTech Connect (OSTI)

    2007-09-27

    The updraft fixed bed gasification model provides predictive modeling capabilities for updraft fixed bed gasifiers, when devolatilization data is available. The fixed bed model is constructed using Aspen Plus, process modeling software, coupled with a FORTRAN user kinetic subroutine. Current updraft gasification models created in Aspen Plus have limited predictive capabilities and must be "tuned" to reflect a generalized gas composition as specified in literature or by the gasifier manufacturer. This limits the applicability of the process model.

  17. Distributed computing for signal processing: modeling of asynchronous parallel computation. Appendix C. Fault-tolerant interconnection networks and image-processing applications for the PASM parallel processing systems. Final report

    SciTech Connect (OSTI)

    Adams, G.B.

    1984-12-01

    The demand for very-high-speed data processing coupled with falling hardware costs has made large-scale parallel and distributed computer systems both desirable and feasible. Two modes of parallel processing are single-instruction stream-multiple data stream (SIMD) and multiple instruction stream - multiple data stream (MIMD). PASM, a partitionable SIMD/MIMD system, is a reconfigurable multimicroprocessor system being designed for image processing and pattern recognition. An important component of these systems is the interconnection network, the mechanism for communication among the computation nodes and memories. Assuring high reliability for such complex systems is a significant task. Thus, a crucial practical aspect of an interconnection network is fault tolerance. In answer to this need, the Extra Stage Cube (ESC), a fault-tolerant, multistage cube-type interconnection network, is defined. The fault tolerance of the ESC is explored for both single and multiple faults, routing tags are defined, and consideration is given to permuting data and partitioning the ESC in the presence of faults. The ESC is compared with other fault-tolerant multistage networks. Finally, reliability of the ESC and an enhanced version of it are investigated.

  18. Process-model Simulations of Cloud Albedo Enhancement by Aerosols in the Arctic

    SciTech Connect (OSTI)

    Kravitz, Benjamin S.; Wang, Hailong; Rasch, Philip J.; Morrison, H.; Solomon, Amy

    2014-11-17

    A cloud-resolving model is used to simulate the effectiveness of Arctic marine cloud brightening via injection of cloud condensation nuclei (CCN). An updated cloud microphysical scheme is employed, with prognostic CCN and cloud particle numbers in both liquid and mixed-phase marine low clouds. Injection of CCN into the marine boundary layer can delay the collapse of the boundary layer and increase low-cloud albedo. Because nearly all of the albedo effects are in the liquid phase due to the removal of ice water by snowfall when ice processes are involved, albedo increases are stronger for pure liquid clouds than mixed-phase clouds. Liquid precipitation can be suppressed by CCN injection, whereas ice precipitation (snow) is affected less; thus the effectiveness of brightening mixed-phase clouds is lower than for liquid-only clouds. CCN injection into a clean regime results in a greater albedo increase than injection into a polluted regime, consistent with current knowledge about aerosol-cloud interactions. Unlike previous studies investigating warm clouds, dynamical changes in circulation due to precipitation changes are small.

  19. WAITING TIME DISTRIBUTION OF SOLAR ENERGETIC PARTICLE EVENTS MODELED WITH A NON-STATIONARY POISSON PROCESS

    SciTech Connect (OSTI)

    Li, C.; Su, W.; Fang, C.; Zhong, S. J.; Wang, L.

    2014-09-10

    We present a study of the waiting time distributions (WTDs) of solar energetic particle (SEP) events observed with the spacecraft WIND and GOES. The WTDs of both solar electron events (SEEs) and solar proton events (SPEs) display a power-law tail of ∼Δt {sup –γ}. The SEEs display a broken power-law WTD. The power-law index is γ{sub 1} = 0.99 for the short waiting times (<70 hr) and γ{sub 2} = 1.92 for large waiting times (>100 hr). The break of the WTD of SEEs is probably due to the modulation of the corotating interaction regions. The power-law index, γ ∼ 1.82, is derived for the WTD of the SPEs which is consistent with the WTD of type II radio bursts, indicating a close relationship between the shock wave and the production of energetic protons. The WTDs of SEP events can be modeled with a non-stationary Poisson process, which was proposed to understand the waiting time statistics of solar flares. We generalize the method and find that, if the SEP event rate λ = 1/Δt varies as the time distribution of event rate f(λ) = Aλ{sup –α}exp (– βλ), the time-dependent Poisson distribution can produce a power-law tail WTD of ∼Δt {sup α} {sup –3}, where 0 ≤ α < 2.

  20. Coupling of Realistic Rate Estimates with Genomics for Assessing Contaminant Attenuation and Long-Term Plume Containment - Task 4: Modeling - Final Report

    SciTech Connect (OSTI)

    Robert C. Starr

    2005-10-31

    seven plumes at 24 DOE facilities were screened, and 14 plumes were selected for detailed examination. In the plumes selected for further study, spatial changes in the concentration of a conservative co-contaminant were used to compensate for the effects of mixing and temporal changes in TCE release from the contaminant source. Decline in TCE concentration along a flow path in excess of the co contaminant concentration decline was attributed to cometabolic degradation. This study indicated that TCE was degraded in 9 of the 14 plumes examined, with first order degradation half-lives ranging from about 1 to 12 years. TCE degradation in about two-thirds of the plumes examined suggests that cometabolism of TCE in aerobic groundwater is a common occurrence, in contrast to the conventional wisdom that TCE is recalcitrant in aerobic groundwater. The degradation half-life values calculated in this study are short enough that natural attenuation may be a viable remedy in many aerobic plumes. Computer modeling of groundwater flow and contaminant transport and degradation is frequently used to predict the evolution of groundwater plumes, and for evaluating natural attenuation and other remedial alternatives. An important aspect of a computer model is the mathematical approach for describing degradation kinetics. A common approach is to assume that degradation occurs as a first-order process. First order kinetics are easily incorporated into transport models and require only a single value (a degradation half-life) to describe reaction kinetics. The use of first order kinetics is justified in many cases because more elaborate kinetic equations often closely approximate first order kinetics under typical field conditions. A previous modeling study successfully simulated the INL TCE plume using first order degradation kinetics. TCE cometabolism is the result of TCE reacting with microbial enzymes that were produced for other purposes, such as oxidizing a growth substrate to obtain

  1. Instabilities in a capacitively coupled oxygen plasma

    SciTech Connect (OSTI)

    Küllig, C. Wegner, Th. Meichsner, J.

    2015-04-15

    Periodic fluctuations in the frequency range from 0.3 to 3 kHz were experimentally investigated in capacitively coupled radio frequency (13.56 MHz) oxygen plasma. The Gaussian beam microwave interferometry directly provides the line integrated electron density fluctuations. A system of two Langmuir probes measured the floating potential spatially (axial, radial) and temporally resolved. Hence, the floating potential fluctuation development is mapped within the discharge volume and provides a kind of discharge breathing and no wave propagation. Finally, it was measured the optical emission pattern of atomic oxygen during the fluctuation as well as the RF phase resolved optical emission intensity at selected phase position of the fluctuation by an intensified charge-coupled device camera. The deduced excitation rate pattern reveals the RF sheath dynamics and electron heating mechanisms, which is changing between low and high electronegativity during a fluctuation cycle. A perturbation calculation was taken into account using a global model with 15 elementary collision processes in the balance equations for the charged plasma species (O{sub 2}{sup +}, e, O{sup −}, O{sub 2}{sup −}) and a harmonic perturbation. The calculated frequencies agree with the experimentally observed frequencies. Whereby, the electron attachment/detachment processes are important for the generation of this instability.

  2. Application of the explicitly correlated coupled-cluster models CCSD(F12*) and CC3(F12*) to the hyperpolarizability of the Ne atom

    SciTech Connect (OSTI)

    Hanauer, Matthias; Khn, Andreas

    2015-01-22

    This work demonstrates the performance of the recently proposed explicitly correlated coupled-cluster method CCSD(F12*) and a new method using explicitly correlated triple excitations, CC3(F12*), in the calculation of the static ESHG hyperpolarizability of the Ne atom.

  3. AREST model description

    SciTech Connect (OSTI)

    Engel, D.W.; McGrail, B.P.

    1993-11-01

    The Office of Civilian Radioactive Waste Management and the Power Reactor and Nuclear Fuel Development Corporation of Japan (PNC) have supported the development of the Analytical Repository Source-Term (AREST) at Pacific Northwest Laboratory. AREST is a computer model developed to evaluate radionuclide release from an underground geologic repository. The AREST code can be used to calculate/estimate the amount and rate of each radionuclide that is released from the engineered barrier system (EBS) of the repository. The EBS is the man-made or disrupted area of the repository. AREST was designed as a system-level models to simulate the behavior of the total repository by combining process-level models for the release from an individual waste package or container. AREST contains primarily analytical models for calculating the release/transport of radionuclides to the lost rock that surrounds each waste package. Analytical models were used because of the small computational overhead that allows all the input parameters to be derived from a statistical distribution. Recently, a one-dimensional numerical model was also incorporated into AREST, to allow for more detailed modeling of the transport process with arbitrary length decay chains. The next step in modeling the EBS, is to develop a model that couples the probabilistic capabilities of AREST with a more detailed process model. This model will need to look at the reactive coupling of the processes that are involved with the release process. Such coupling would include: (1) the dissolution of the waste form, (2) the geochemical modeling of the groundwater, (3) the corrosion of the container overpacking, and (4) the backfill material, just to name a few. Several of these coupled processes are already incorporated in the current version of AREST.

  4. Development of the T+M coupled flow-geomechanical simulator to...

    Office of Scientific and Technical Information (OSTI)

    Development of the T+M coupled flow-geomechanical simulator to describe fracture propagation and coupled flow-thermal-geomechanical processes in tightshale gas systems Citation ...

  5. Process Design of Wastewater Treatment for the NREL Cellulosic Ethanol Model

    SciTech Connect (OSTI)

    Steinwinder, T.; Gill, E.; Gerhardt, M.

    2011-09-01

    This report describes a preliminary process design for treating the wastewater from NREL's cellulosic ethanol production process to quality levels required for recycle. In this report Brown and Caldwell report on three main tasks: 1) characterization of the effluent from NREL's ammonia-conditioned hydrolyzate fermentation process; 2) development of the wastewater treatment process design; and 3) development of a capital and operational cost estimate for the treatment concept option. This wastewater treatment design was incorporated into NREL's cellulosic ethanol process design update published in May 2011 (NREL/TP-5100-47764).

  6. Effective field theory: A modern approach to anomalous couplings

    SciTech Connect (OSTI)

    Degrande, Cline; Centre for Particle Physics and Phenomenology , Universit Catholique de Louvain, Chemin du Cyclotron 2, B-1348 Louvain-la-Neuve ; Greiner, Nicolas; Max-Planck-Institut fr Physik, Fhringer Ring 6, 80805 Mnchen ; Kilian, Wolfgang; University of Siegen, Fachbereich Physik, D-57068 Siegen ; Mattelaer, Olivier; Mebane, Harrison; Stelzer, Tim; Willenbrock, Scott; Zhang, Cen; Centre for Particle Physics and Phenomenology , Universit Catholique de Louvain, Chemin du Cyclotron 2, B-1348 Louvain-la-Neuve

    2013-08-15

    We advocate an effective field theory approach to anomalous couplings. The effective field theory approach is the natural way to extend the standard model such that the gauge symmetries are respected. It is general enough to capture any physics beyond the standard model, yet also provides guidance as to the most likely place to see the effects of new physics. The effective field theory approach also clarifies that one need not be concerned with the violation of unitarity in scattering processes at high energy. We apply these ideas to pair production of electroweak vector bosons. -- Highlights: We discuss the advantages of effective field theories compared to anomalous couplings. We show that one need not be concerned with unitarity violation at high energy. We discuss the application of effective field theory to weak boson physics.

  7. Modeling Cu Migration in CdTe Solar Cells Under Device-Processing and Long-Term Stability Conditions: Preprint

    SciTech Connect (OSTI)

    Teeter, G.; Asher, S.

    2008-05-01

    An impurity migration model for systems with material interfaces is applied to Cu migration in CdTe solar cells. In the model, diffusion fluxes are calculated from the Cu chemical potential gradient. Inputs to the model include Cu diffusivities, solubilities, and segregation enthalpies in CdTe, CdS and contact materials. The model yields transient and equilibrium Cu distributions in CdTe devices during device processing and under field-deployed conditions. Preliminary results for Cu migration in CdTe photovoltaic devices using available diffusivity and solubility data from the literature show that Cu segregates in the CdS, a phenomenon that is commonly observed in devices after back-contact processing and/or stress conditions.

  8. Processes, mechanisms, parameters, and modeling approaches for partially saturated flow in soil and rock media; Yucca Mountain Site Characterization Project

    SciTech Connect (OSTI)

    Wang, J.S.Y.; Narasimhan, T.N.

    1993-06-01

    This report discusses conceptual models and mathematical equations, analyzes distributions and correlations among hydrological parameters of soils and tuff, introduces new path integration approaches, and outlines scaling procedures to model potential-driven fluid flow in heterogeneous media. To properly model the transition from fracture-dominated flow under saturated conditions to matrix-dominated flow under partially saturated conditions, characteristic curves and permeability functions for fractures and matrix need to be improved and validated. Couplings from two-phase flow, heat transfer, solute transport, and rock deformation to liquid flow are also important. For stochastic modeling of alternating units of welded and nonwelded tuff or formations bounded by fault zones, correlations and constraints on average values of saturated permeability and air entry scaling factor between different units need to be imposed to avoid unlikely combinations of parameters and predictions. Large-scale simulations require efficient and verifiable numerical algorithms. New path integration approaches based on postulates of minimum work and mass conservation to solve flow geometry and potential distribution simultaneously are introduced. This verifiable integral approach, together with fractal scaling procedures to generate statistical realizations with parameter distribution, correlation, and scaling taken into account, can be used to quantify uncertainties and generate the cumulative distribution function for groundwater travel times.

  9. Nuclear test ban treaty verification: Improving test ban monitoring with empirical and model-based signal processing

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

    Harris, David B.; Gibbons, Steven J.; Rodgers, Arthur J.; Pasyanls, Michael E.

    2012-05-01

    In this approach, small scale-length medium perturbations not modeled in the tomographic inversion might be described as random fields, characterized by particular distribution functions (e.g., normal with specified spatial covariance). Conceivably, random field parameters (scatterer density or scale length) might themselves be the targets of tomographic inversions of the scattered wave field. As a result, such augmented models may provide processing gain through the use of probabilistic signal sub spaces rather than deterministic waveforms.

  10. Process Modeling Results of Bio-Syntrolysis: Converting Biomass to Liquid Fuel with High Temperature Steam Electrolysis

    SciTech Connect (OSTI)

    G. L. Hawkes; M. G. McKellar; R. Wood; M. M. Plum

    2010-06-01

    A new process called Bio-Syntrolysis is being researched at the Idaho National Laboratory (INL) investigating syngas production from renewable biomass that is assisted with high temperature steam electrolysis (HTSE). The INL is the world leader in researching HTSE and has recently produced hydrogen from high temperature solid oxide cells running in the electrolysis mode setting several world records along the way. A high temperature (~800°C) heat source is necessary to heat the steam as it goes into the electrolytic cells. Biomass provides the heat source and the carbon source for this process. Syngas, a mixture of hydrogen and carbon monoxide, can be used for the production of synthetic liquid fuels via Fischer-Tropsch processes. This concept, coupled with fossil-free electricity, provides a possible path to reduced greenhouse gas emissions and increased energy independence, without the major infrastructure shift that would be required for a purely hydrogen-based transportation system. Furthermore, since the carbon source is obtained from recyclable biomass, the entire concept is carbon-neutral

  11. Separate effects identification via casting process modeling for experimental measurement of UPuZr alloys

    SciTech Connect (OSTI)

    J. Crapps; D. S. DeCroix; J. D. Galloway; D. A. Korzekwa; R. Aikin; R. Fielding; R. Kennedy; C. Unal

    2013-11-01

    Computational simulations of gravity casting processes for metallic UPuZr nuclear fuel rods have been performed using a design-of-experiments technique to determine the fluid flow, liquid heat transfer, and solid heat transfer parameters which most strongly influence the process solidification speed and fuel rod porosity. The results are used to make recommendations for the best investment of experimental time and effort to measure process parameters.

  12. Modeling and simulation of CVD processes for manufacturing ceramic composites. Final report, 30 September 1994-25 June 1995

    SciTech Connect (OSTI)

    Adjerid, S.; Flaherty, J.E.; Hudson, J.B.; Shephard, M.S.; Webster, B.E.

    1995-06-29

    A chemical vapor deposition (CVD) process used to coat crystal sapphire fibers with B-Al2O3 has been mathematically modelled and numerically simulated using adaptive finite element software. This software system is applicable for solving transient and steady partial differential equations and is capable of automatic mesh generation, mesh-order variation, and/or mesh refinement.

  13. Three tooth kinematic coupling

    DOE Patents [OSTI]

    Hale, Layton C. (Livermore, CA)

    2000-01-01

    A three tooth kinematic coupling based on having three theoretical line contacts formed by mating teeth rather than six theoretical point contacts. The geometry requires one coupling half to have curved teeth and the other coupling half to have flat teeth. Each coupling half has a relieved center portion which does not effect the kinematics, but in the limit as the face width approaches zero, three line contacts become six point contacts. As a result of having line contact, a three tooth coupling has greater load capacity and stiffness. The kinematic coupling has application for use in precision fixturing for tools or workpieces, and as a registration device for a work or tool changer or for optics in various products.

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

    SciTech Connect (OSTI)

    Peyton, Brent M. [Montana State University; Timothy, Ginn R. [University of California Davis; Sani, Rajesh K. [South Dakota School of Mines and Technology

    2013-08-14

    Subsurface bacteria including sulfate reducing bacteria (SRB) reduce soluble U(VI) to insoluble U(IV) with subsequent precipitation of UO2. We have shown that SRB reduce U(VI) to nanometer-sized UO2 particles (1-5 nm) which are both intra- and extracellular, with UO2 inside the cell likely physically shielded from subsequent oxidation processes. We evaluated the UO2 nanoparticles produced by Desulfovibrio desulfuricans G20 under growth and non-growth conditions in the presence of lactate or pyruvate and sulfate, thiosulfate, or fumarate, using ultrafiltration and HR-TEM. Results showed that a significant mass fraction of bioreduced U (35-60%) existed as a mobile phase when the initial concentration of U(VI) was 160 M. Further experiments with different initial U(VI) concentrations (25 - 900 ?M) in MTM with PIPES or bicarbonate buffers indicated that aggregation of uraninite depended on the initial concentrations of U(VI) and type of buffer. It is known that under some conditions SRB-mediated UO2 nanocrystals can be reoxidized (and thus remobilized) by Fe(III)-(hydr)oxides, common constituents of soils and sediments. To elucidate the mechanism of UO2 reoxidation by Fe(III) (hydr)oxides, we studied the impact of Fe and U chelating compounds (citrate, NTA, and EDTA) on reoxidation rates. Experiments were conducted in anaerobic batch systems in PIPES buffer. Results showed EDTA significantly accelerated UO2 reoxidation with an initial rate of 9.5?M day-1 for ferrihydrite. In all cases, bicarbonate increased the rate and extent of UO2 reoxidation with ferrihydrite. The highest rate of UO2 reoxidation occurred when the chelator promoted UO2 and Fe(III) (hydr)oxide dissolution as demonstrated with EDTA. When UO2 dissolution did not occur, UO2 reoxidation likely proceeded through an aqueous Fe(III) intermediate as observed for both NTA and citrate. To complement to these laboratory studies, we collected U-bearing samples from a surface seep at the Rifle field site and

  15. Coupled thermal stress simulations of ductile tearing

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

    Neilsen, Michael K.; Dion, Kristin

    2016-03-01

    Predictions for ductile tearing of a geometrically complex Ti-6Al-4V plate were generated using a Unified Creep Plasticity Damage model in fully coupled thermal stress simulations. Uniaxial tension and butterfly shear tests performed at displacement rates of 0.0254 and 25.4 mm/s were also simulated. Results from these simulations revealed that the material temperature increase due to plastic work can have a dramatic effect on material ductility predictions in materials that exhibit little strain hardening. Furthermore, this occurs because the temperature increase causes the apparent hardening of the material to decrease which leads to the initiation of deformation localization and subsequent ductilemore » tearing earlier in the loading process.« less

  16. Coupling a Reactive Transport Code with a Global Land Surface Model for Mechanistic Biogeochemistry Representation: 1. Addressing the Challenge of Nonnegativity

    SciTech Connect (OSTI)

    Tang, Guoping; Yuan, Fengming; Bisht, Gautam; Hammond, Glenn E.; Lichtner, Peter C.; Collier, Nathaniel O.; Kumar, Jitendra; Mills, Richard T.; Xu, Xiaofeng; Andre, Ben; Hoffman, Forrest M.; Painter, Scott L.; Thornton, Peter E.

    2016-01-01

    Reactive transport codes (e.g., PFLOTRAN) are increasingly used to improve the representation of biogeochemical processes in terrestrial ecosystem models (e.g., the Community Land Model, CLM). As CLM and PFLOTRAN use explicit and implicit time stepping, implementation of CLM biogeochemical reactions in PFLOTRAN can result in negative concentration, which is not physical and can cause numerical instability and errors. The objective of this work is to address the nonnegativity challenge to obtain accurate, efficient, and robust solutions. We illustrate the implementation of a reaction network with the CLM-CN decomposition, nitrification, denitrification, and plant nitrogen uptake reactions and test the implementation at arctic, temperate, and tropical sites. We examine use of scaling back the update during each iteration (SU), log transformation (LT), and downregulating the reaction rate to account for reactant availability limitation to enforce nonnegativity. Both SU and LT guarantee nonnegativity but with implications. When a very small scaling factor occurs due to either consumption or numerical overshoot, and the iterations are deemed converged because of too small an update, SU can introduce excessive numerical error. LT involves multiplication of the Jacobian matrix by the concentration vector, which increases the condition number, decreases the time step size, and increases the computational cost. Neither SU nor SE prevents zero concentration. When the concentration is close to machine precision or 0, a small positive update stops all reactions for SU, and LT can fail due to a singular Jacobian matrix. The consumption rate has to be downregulated such that the solution to the mathematical representation is positive. A first-order rate downregulates consumption and is nonnegative, and adding a residual concentration makes it positive. For zero-order rate or when the reaction rate is not a function of a reactant, representing the availability limitation of each

  17. Coupling a Reactive Transport Code with a Global Land Surface Model for Mechanistic Biogeochemistry Representation: 1. Addressing the Challenge of Nonnegativity

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

    Tang, Guoping; Yuan, Fengming; Bisht, Gautam; Hammond, Glenn E.; Lichtner, Peter C.; Collier, Nathaniel O.; Kumar, Jitendra; Mills, Richard T.; Xu, Xiaofeng; Andre, Ben; et al

    2016-01-01

    Reactive transport codes (e.g., PFLOTRAN) are increasingly used to improve the representation of biogeochemical processes in terrestrial ecosystem models (e.g., the Community Land Model, CLM). As CLM and PFLOTRAN use explicit and implicit time stepping, implementation of CLM biogeochemical reactions in PFLOTRAN can result in negative concentration, which is not physical and can cause numerical instability and errors. The objective of this work is to address the nonnegativity challenge to obtain accurate, efficient, and robust solutions. We illustrate the implementation of a reaction network with the CLM-CN decomposition, nitrification, denitrification, and plant nitrogen uptake reactions and test the implementation atmore » arctic, temperate, and tropical sites. We examine use of scaling back the update during each iteration (SU), log transformation (LT), and downregulating the reaction rate to account for reactant availability limitation to enforce nonnegativity. Both SU and LT guarantee nonnegativity but with implications. When a very small scaling factor occurs due to either consumption or numerical overshoot, and the iterations are deemed converged because of too small an update, SU can introduce excessive numerical error. LT involves multiplication of the Jacobian matrix by the concentration vector, which increases the condition number, decreases the time step size, and increases the computational cost. Neither SU nor SE prevents zero concentration. When the concentration is close to machine precision or 0, a small positive update stops all reactions for SU, and LT can fail due to a singular Jacobian matrix. The consumption rate has to be downregulated such that the solution to the mathematical representation is positive. A first-order rate downregulates consumption and is nonnegative, and adding a residual concentration makes it positive. For zero-order rate or when the reaction rate is not a function of a reactant, representing the availability limitation

  18. Generative inspection process planner for integrated production

    SciTech Connect (OSTI)

    Brown, C.W. . Kansas City Div.); Gyorog, D.A. . Dept. of Mechanical Engineering)

    1990-04-01

    This work describes the design prototype development of a generative process planning system for dimensional inspection. The system, IPPEX (Inspection Process Planning EXpert), is a rule-based expert system for integrated production. Using as advanced product modeler, relational databases, and artificial intelligence techniques, IPPEX generates the process plan and part program for the dimensional inspection of products using CMMs. Through an application interface, the IPPEX system software accesses product definition from the product modeler. The modeler is a solid geometric modeler coupled with a dimension and tolerance modeler. Resource data regarding the machines, probes, and fixtures are queried from databases. IPPEX represents inspection process knowledge as production rules and incorporates an embedded inference engine to perform decision making. The IPPEX system, its functional architecture, system architecture, system approach, product modeling environment, inspection features, inspection knowledge, hierarchical planning strategy, user interface formats, and other fundamental issues related to inspection planning and part programming for CMMs are described. 27 refs., 16 figs., 4 tabs.

  19. Evaluation of coupling approaches for thermomechanical simulations

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

    Novascone, S. R.; Spencer, B. W.; Hales, J. D.; Williamson, R. L.

    2015-08-10

    Many problems of interest, particularly in the nuclear engineering field, involve coupling between the thermal and mechanical response of an engineered system. The strength of the two-way feedback between the thermal and mechanical solution fields can vary significantly depending on the problem. Contact problems exhibit a particularly high degree of two-way feedback between those fields. This paper describes and demonstrates the application of a flexible simulation environment that permits the solution of coupled physics problems using either a tightly coupled approach or a loosely coupled approach. In the tight coupling approach, Newton iterations include the coupling effects between all physics,more » while in the loosely coupled approach, the individual physics models are solved independently, and fixed-point iterations are performed until the coupled system is converged. These approaches are applied to simple demonstration problems and to realistic nuclear engineering applications. The demonstration problems consist of single and multi-domain thermomechanics with and without thermal and mechanical contact. Simulations of a reactor pressure vessel under pressurized thermal shock conditions and a simulation of light water reactor fuel are also presented. Here, problems that include thermal and mechanical contact, such as the contact between the fuel and cladding in the fuel simulation, exhibit much stronger two-way feedback between the thermal and mechanical solutions, and as a result, are better solved using a tight coupling strategy.« less

  20. Evaluation of coupling approaches for thermomechanical simulations

    SciTech Connect (OSTI)

    Novascone, S. R.; Spencer, B. W.; Hales, J. D.; Williamson, R. L.

    2015-08-10

    Many problems of interest, particularly in the nuclear engineering field, involve coupling between the thermal and mechanical response of an engineered system. The strength of the two-way feedback between the thermal and mechanical solution fields can vary significantly depending on the problem. Contact problems exhibit a particularly high degree of two-way feedback between those fields. This paper describes and demonstrates the application of a flexible simulation environment that permits the solution of coupled physics problems using either a tightly coupled approach or a loosely coupled approach. In the tight coupling approach, Newton iterations include the coupling effects between all physics, while in the loosely coupled approach, the individual physics models are solved independently, and fixed-point iterations are performed until the coupled system is converged. These approaches are applied to simple demonstration problems and to realistic nuclear engineering applications. The demonstration problems consist of single and multi-domain thermomechanics with and without thermal and mechanical contact. Simulations of a reactor pressure vessel under pressurized thermal shock conditions and a simulation of light water reactor fuel are also presented. Here, problems that include thermal and mechanical contact, such as the contact between the fuel and cladding in the fuel simulation, exhibit much stronger two-way feedback between the thermal and mechanical solutions, and as a result, are better solved using a tight coupling strategy.

  1. Earth coupled cooling techniques

    SciTech Connect (OSTI)

    Grondzik, W.T.; Boyer, L.L.; Johnston, T.L.

    1981-01-01

    Earth coupled cooling is an important consideration for residential and commercial designers, owners, and builders in many regions of the country. The potential benefits which can be expected from passive earth contact cooling are reviewed. Recommendations for the design of earth sheltered structures incorporating earth coupled cooling strategies are also presented.

  2. Translation-coupling systems

    DOE Patents [OSTI]

    Pfleger, Brian; Mendez-Perez, Daniel

    2013-11-05

    Disclosed are systems and methods for coupling translation of a target gene to a detectable response gene. A version of the invention includes a translation-coupling cassette. The translation-coupling cassette includes a target gene, a response gene, a response-gene translation control element, and a secondary structure-forming sequence that reversibly forms a secondary structure masking the response-gene translation control element. Masking of the response-gene translation control element inhibits translation of the response gene. Full translation of the target gene results in unfolding of the secondary structure and consequent translation of the response gene. Translation of the target gene is determined by detecting presence of the response-gene protein product. The invention further includes RNA transcripts of the translation-coupling cassettes, vectors comprising the translation-coupling cassettes, hosts comprising the translation-coupling cassettes, methods of using the translation-coupling cassettes, and gene products produced with the translation-coupling cassettes.

  3. Translation-coupling systems

    DOE Patents [OSTI]

    Pfleger, Brian; Mendez-Perez, Daniel

    2015-05-19

    Disclosed are systems and methods for coupling translation of a target gene to a detectable response gene. A version of the invention includes a translation-coupling cassette. The translation-coupling cassette includes a target gene, a response gene, a response-gene translation control element, and a secondary structure-forming sequence that reversibly forms a secondary structure masking the response-gene translation control element. Masking of the response-gene translation control element inhibits translation of the response gene. Full translation of the target gene results in unfolding of the secondary structure and consequent translation of the response gene. Translation of the target gene is determined by detecting presence of the response-gene protein product. The invention further includes RNA transcripts of the translation-coupling cassettes, vectors comprising the translation-coupling cassettes, hosts comprising the translation-coupling cassettes, methods of using the translation-coupling cassettes, and gene products produced with the translation-coupling cassettes.

  4. Modeling the Fuel Spray and Combustion Process of the Ignition Quality Tester with KIVA-3V

    SciTech Connect (OSTI)

    Bogin, G. E. Jr.; DeFilippo, A.; Chen, J. Y.; Chin, G.; Luecke, J.; Ratcliff, M. A.; Zigler, B. T.; Dean, A. M.

    2010-05-01

    Discusses the use of KIVA-3V to develop a model that reproduces ignition behavior inside the Ignition Quality Tester, which measures the ignition delay of low-volatility fuels.

  5. Final Report: A Model Management System for Numerical Simulations of Subsurface Processes

    SciTech Connect (OSTI)

    Zachmann, David

    2013-10-07

    The DOE and several other Federal agencies have committed significant resources to support the development of a large number of mathematical models for studying subsurface science problems such as groundwater flow, fate of contaminants and carbon sequestration, to mention only a few. This project provides new tools to help decision makers and stakeholders in subsurface science related problems to select an appropriate set of simulation models for a given field application.

  6. An Integrated Approach to Coal Gasifier Testing, Modeling, and Process Optimization

    SciTech Connect (OSTI)

    Sundaram, S. K.; Johnson, Kenneth I.; Matyas, Josef; Williford, Ralph E.; Pilli, Siva Prasad; Korolev, Vladimir N.

    2009-10-01

    Gasification is an important method of converting coal into clean burning fuels and high-value industrial chemicals. However, gasifier reliability can be severely limited by rapid degradation of the refractory lining in hot-wall gasifiers. The Pacific Northwest National Laboratory (PNNL) is performing multidisciplinary research to provide the experimental data and the engineering models needed to control gasifier operation for extended refractory life. Our experimental program includes prediction of slag viscosity using empirical viscosity models encompassing US coals, characterization of selected slag-refractory interaction including transport of slag/refractory components at the slag-refractory interface, and measurement of slag penetration into refractories as a function of time and temperature. The experimental data is used in slag flow, slag penetration, and refractory damage models to predict the operating temperature limits for increased refractory life. A simplified entrained flow gasifier model is also being developed to simulate one-dimensional axial flow with average axial velocity, coal devolatilization, and combustion kinetics. Combining the slag flow, refractory degradation, and gasifier models will provide a powerful tool to predict the coal and oxidant feed rates and control the gasifier operation to balance coal conversion efficiency with increased refractory life. A research scale gasifier has also been constructed at PNNL to provide syngas for coal conversion and carbon sequestration research, and also valuable datasets on operating conditions for validating the modeling results.

  7. Enhancing Cloud Radiative Processes and Radiation Efficiency in the Advanced Research Weather Research and Forecasting (WRF) Model

    SciTech Connect (OSTI)

    Iacono, Michael J.

    2015-03-09

    The objective of this research has been to evaluate and implement enhancements to the computational performance of the RRTMG radiative transfer option in the Advanced Research version of the Weather Research and Forecasting (WRF) model. Efficiency is as essential as accuracy for effective numerical weather prediction, and radiative transfer is a relatively time-consuming component of dynamical models, taking up to 30-50 percent of the total model simulation time. To address this concern, this research has implemented and tested a version of RRTMG that utilizes graphics processing unit (GPU) technology (hereinafter RRTMGPU) to greatly improve its computational performance; thereby permitting either more frequent simulation of radiative effects or other model enhancements. During the early stages of this project the development of RRTMGPU was completed at AER under separate NASA funding to accelerate the code for use in the Goddard Space Flight Center (GSFC) Goddard Earth Observing System GEOS-5 global model. It should be noted that this final report describes results related to the funded portion of the originally proposed work concerning the acceleration of RRTMG with GPUs in WRF. As a k-distribution model, RRTMG is especially well suited to this modification due to its relatively large internal pseudo-spectral (g-point) dimension that, when combined with the horizontal grid vector in the dynamical model, can take great advantage of the GPU capability. Thorough testing under several model configurations has been performed to ensure that RRTMGPU improves WRF model run time while having no significant impact on calculated radiative fluxes and heating rates or on dynamical model fields relative to the RRTMG radiation. The RRTMGPU codes have been provided to NCAR for possible application to the next public release of the WRF forecast model.

  8. Modeling the Process of Mining Silicon Through a Single Displacement/Redox Reaction

    K-12 Energy Lesson Plans and Activities Web site (EERE)

    As the popularity of photovoltaic (PV) cells and integrated circuits (IC) increases, the need for silicon also increases. Silicon is one of the most used materials in these two industries. It is an inexpensive and abundant semiconductor. However, the process of producing pure silicon adds cost, and it is generally unknown to the public. One of the first steps in producing silicon is a process called carbon-thermic reduction. Silicon dioxide (SiO2) that is found in beach sand and quartz is melted down in a caldron at a temperature of 1450 degrees Celsius.

  9. Optical modeling and electrical properties of cadmium oxide nanofilms: Developing a meta–heuristic calculation process model

    SciTech Connect (OSTI)

    Abdolahzadeh Ziabari, Ali; Refahi Sheikhani, A. H.; Nezafat, Reza Vatani; Haghighidoust, Kasra Monsef

    2015-04-07

    Cadmium oxide thin films were deposited onto glass substrates by sol–gel dip-coating method and annealed in air. The normal incidence transmittance of the films was measured by a spectrophotometer. D.C electrical parameters such as carrier concentration and mobility were analyzed by Hall Effect measurements. A combination of Forouhi–Bloomer and standard Drude model was used to simulate the optical constants and thicknesses of the films from transmittance data. The transmittance spectra of the films in the visible domain of wavelengths were successfully fitted by using the result of a hybrid particle swarm optimization method and genetic algorithm. The simulated transmittance is in good accordance with the measured spectrum in the whole measurement wavelength range. The electrical parameters obtained from the optical simulation are well consistent with those measured electrically by Hall Effect measurements.

  10. Development of process parameters for 22 nm PMOS using 2-D analytical modeling

    SciTech Connect (OSTI)

    Maheran, A. H. Afifah; Menon, P. S.; Shaari, S.; Ahmad, I.; Faizah, Z. A. Noor

    2015-04-24

    The complementary metal-oxide-semiconductor field effect transistor (CMOSFET) has become major challenge to scaling and integration. Innovation in transistor structures and integration of novel materials are necessary to sustain this performance trend. CMOS variability in the scaling technology becoming very important concern due to limitation of process control; over statistically variability related to the fundamental discreteness and materials. Minimizing the transistor variation through technology optimization and ensuring robust product functionality and performance is the major issue.In this article, the continuation study on process parameters variations is extended and delivered thoroughly in order to achieve a minimum leakage current (I{sub LEAK}) on PMOS planar transistor at 22?nm gate length. Several device parameters are varies significantly using Taguchi method to predict the optimum combination of process parameters fabrication. A combination of high permittivity material (high-k) and metal gate are utilized accordingly as gate structure where the materials include titanium dioxide (TiO{sub 2}) and tungsten silicide (WSi{sub x}). Then the L9 of the Taguchi Orthogonal array is used to analyze the device simulation where the results of signal-to-noise ratio (SNR) of Smaller-the-Better (STB) scheme are studied through the percentage influences of the process parameters. This is to achieve a minimum I{sub LEAK} where the maximum predicted I{sub LEAK} value by International Technology Roadmap for Semiconductors (ITRS) 2011 is said to should not above 100 nA/m. Final results shows that the compensation implantation dose acts as the dominant factor with 68.49% contribution in lowering the devices leakage current. The absolute process parameters combination results in I{sub LEAK} mean value of 3.96821 nA/m where is far lower than the predicted value.

  11. Collisional particle-in-cell modeling for energy transport accompanied by atomic processes in dense plasmas

    SciTech Connect (OSTI)

    Mishra, R.; Beg, F. N.; Leblanc, P.; Sentoku, Y.; Wei, M. S.

    2013-07-15

    Fully relativistic collisional Particle-in-Cell (PIC) code, PICLS, has been developed to study extreme energy density conditions produced in intense laser-solid interaction. Recent extensions to PICLS, such as the implementation of dynamic ionization, binary collisions in a partially ionized plasma, and radiative losses, enhance the efficacy of simulating intense laser plasma interaction and subsequent energy transport in resistive media. Different ionization models are introduced and benchmarked against each other to check the suitability of the model. The atomic physics models are critical to determine the energy deposition and transport in dense plasmas, especially when they consist of high Z (atomic number) materials. Finally we demonstrate the electron transport simulations to show the importance of target material on fast electron dynamics.

  12. Modeling, design and thermal performance of a BIPV/T system thermally coupled with a ventilated concrete slab in a low energy solar house: Part 2, ventilated concrete slab

    SciTech Connect (OSTI)

    Chen, Yuxiang; Galal, Khaled; Athienitis, A.K.

    2010-11-15

    This paper is the second of two papers that describe the modeling and design of a building-integrated photovoltaic-thermal (BIPV/T) system thermally coupled with a ventilated concrete slab (VCS) adopted in a prefabricated, two-storey detached, low energy solar house and their performance assessment based on monitored data. The VCS concept is based on an integrated thermal-structural design with active storage of solar thermal energy while serving as a structural component - the basement floor slab ({proportional_to}33 m{sup 2}). This paper describes the numerical modeling, design, and thermal performance assessment of the VCS. The thermal performance of the VCS during the commissioning of the unoccupied house is presented. Analysis of the monitored data shows that the VCS can store 9-12 kWh of heat from the total thermal energy collected by the BIPV/T system, on a typical clear sunny day with an outdoor temperature of about 0 C. It can also accumulate thermal energy during a series of clear sunny days without overheating the slab surface or the living space. This research shows that coupling the VCS with the BIPV/T system is a viable method to enhance the utilization of collected solar thermal energy. A method is presented for creating a simplified three-dimensional, control volume finite difference, explicit thermal model of the VCS. The model is created and validated using monitored data. The modeling method is suitable for detailed parametric study of the thermal behavior of the VCS without excessive computational effort. (author)

  13. Anisotropic constitutive model and FE simulation of the sintering process of slip cast traditional porcelain

    SciTech Connect (OSTI)

    Sarbandi, B.; Besson, J.; Boussuge, M.; Ryckelynck, D. [Centre des Materiaux / Mines ParisTech / CNRS UMR 7633 / BP 87, 91003 Evry (France)

    2010-06-15

    Slip cast ceramic components undergo both sintering shrinkage and creep deformation caused by gravity during the firing cycle. In addition sintering may be anisotropic due to the development of preferential directions during slip casting. Both phenomena induce complex deformations of parts which make the design of casting molds difficult. To help solving this problem, anisotropic constitutive equations are proposed to represent the behavior of the ceramic compacts during sintering. The model parameters are identified using tests allowing to characterize both sintering and creep. The model was implemented in a finite element software and used to simulate the deformation of a traditional ceramic object during sintering.

  14. Evaluation of Tropical Cirrus Cloud Properties and Dynamical Processes Derived from ECMWF Model Output and Ground Based Mea...

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

    Tropical Cirrus Cloud Properties and Dynamical Processes Derived from ECMWF Model Output and Ground-Based Measurements Over Nauru Island J. M. Comstock and J. H. Mather Pacific Northwest National Laboratory Richland, Washington C. Jakob Bureau of Meteorology Research Centre Melbourne, Australia Introduction Identifying the mechanisms responsible for the formation of cirrus clouds is important in understanding the role of cirrus in the tropical atmosphere. Thin cirrus clouds near the tropical

  15. Simulating the Impacts of Disturbances on Forest Carbon Cycling in North America: Processes, Data, Models, and Challenges

    SciTech Connect (OSTI)

    Liu, Shuguang; Bond-Lamberty, Benjamin; Hicke, J.; Vargas, Rodrigo; Zhao, Shuqing; Chen, Jing Ming; Edburg, Steve; Hu, Yueming; Liu, Jinxun; McGuire, A. David; Xiao, Jingfeng; Keane, Robert; Yuan, Wenping; Tang, Jianwu; Luo, Yiqi; Potter, Christopher; Oeding, Jennifer

    2011-11-08

    Disturbances disrupt the forest structures and alter forest resources, substrate availability, or the physical environment. Understanding disturbances and their impacts is critical for a better quantification of North American carbon dynamics. We reviewed the status and major challenges in simulating the impacts of disturbances on forest carbon cycling in North America from the perspectives of process understanding, disturbance characterization, and modeling, and found some major issues. First, we do not have adequate continentally-consistent disturbance databases to support the NACP missions. Community effort, in collaborating with the modeling community, should be designated to systematically define international standards for disturbance databases with explicit inclusion of uncertainty measurements, adequate spatial and temporal resolutions, and explicit and quantifiable linkages with model simulations. Second, there is a need to develop effective and comprehensive process-based procedures or algorithms that can be used to quantify the immediate and long-term impacts of disturbances on forest succession, soils, microclimate, and cycles of carbon, water, and nutrients. These algorithms should be evaluated not only on the carbon cycle but also on the simulations of vegetation succession, alterations of soil and microclimate, and water and nutrients dynamics because adequate simulations of carbon dynamics rely on the correct quantification of the changes of soil and vegetation conditions. Third, the scaling challenges have rarely been addressed at the continental scale. We do not understand which processes and properties at a given temporal or spatial scales are critical while others can be simplified when we try to balance the North American carbon budget. Previous and current model simulations at the continental scale did not incorporate a full suite of disturbances information (because they do not exist as described above), and therefore provided little insight

  16. An integrated approach to coal gasifier testing, modeling, and process optimization

    SciTech Connect (OSTI)

    S.K. Sundaram; K.I. Johnson; J. Matyas; R.E. Williford; S.P. Pilli; V.N. Korolev

    2009-09-15

    Gasification is an important method of converting coal into clean-burning fuels and high-value industrial chemicals. However, gasifier reliability can be severely limited by rapid degradation of the refractory lining in hot-wall gasifiers. This paper describes an integrated approach to provide the experimental data and engineering models needed to better understand how to control gasifier operation for extended refractory life. The experimental program includes slag viscosity testing and measurement of slag penetration into refractories as a function of time and temperature. The experimental data is used in slag flow, slag penetration, and refractory damage models to predict the limits on operating temperature for increased refractory life. A simplified entrained flow gasifier model is also described to simulate one-dimensional axial flow with average axial velocity, coal devolatilization, and combustion kinetics. The goal of this experimental and model program is to predict coal and oxidant feed rates and to control the gasifier operation to balance coal conversion efficiency with increased refractory life. 26 refs., 7 figs., 3 tabs.

  17. Energy flux density in a thermoacoustic couple

    SciTech Connect (OSTI)

    Cao, N.; Chen, S. |; Olson, R.; Swift, G.W.

    1996-06-01

    The hydro- and thermodynamical processes near and within a thermoacoustic couple are simulated and analyzed by numerical solution of the compressible Navier-Stokes, continuity, and energy equations for an ideal gas, concentrating on the time-averaged energy flux density in the gas. The numerical results show details of the heat sink at one end of the plates in the thermoacoustic couple. 15 refs., 10 figs., 1 tab.

  18. Modeling of selected ceramic processing parameters employed in the fabrication of 238PuO2 fuel pellets

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

    Brockman, R. A.; Kramer, D. P.; Barklay, C. D.; Cairns-Gallimore, D.; Brown, J. L.; Huling, J. C.; Van Pelt, C. E.

    2011-10-01

    Recent deep space missions utilize the thermal output of the radioisotope plutonium-238 as the fuel in the thermal to electrical power system. Since the application of plutonium in its elemental state has several disadvantages, the fuel employed in these deep space power systems is typically in the oxide form such as plutonium-238 dioxide (238PuO2). As an oxide, the processing of the plutonium dioxide into fuel pellets is performed via ''classical'' ceramic processing unit operations such as sieving of the powder, pressing, sintering, etc. Modeling of these unit operations can be beneficial in the understanding and control of processing parameters withmore » the goal of further enhancing the desired characteristics of the 238PuO2 fuel pellets. A finite element model has been used to help identify the time-temperature-stress profile within a pellet during a furnace operation taking into account that 238PuO2 itself has a significant thermal output. The results of the modeling efforts will be discussed.« less

  19. Biomass Torrefaction Process Review and Moving Bed Torrefaction System Model Development

    SciTech Connect (OSTI)

    Jaya Shakar Tumuluru; Shahab Sokhansanj; Christopher T. Wright

    2010-08-01

    Torrefaction is currently developing as an important preprocessing step to improve the quality of biomass in terms of physical properties, and proximate and ultimate composition. Torrefaction is a slow heating of biomass in an inert or reduced environment to a maximum temperature of 300°C. Torrefaction can also be defined as a group of products resulting from the partially controlled and isothermal pyrolysis of biomass occurring in a temperature range of 200–230ºC and 270–280ºC. Thus, the process can also be called a mild pyrolysis as it occurs at the lower temperature range of the pyrolysis process. At the end of the torrefaction process, a solid uniform product with lower moisture content and higher energy content than raw biomass is produced. Most of the smoke-producing compounds and other volatiles are removed during torrefaction, producing a final product that will have a lower mass but a higher heating value. An important aspect of research is to establish a degree of torrefaction where gains in heating value offset the loss of mass. There is a lack of literature on torrefaction reactor designs and a design sheet for estimating the dimensions of the torrefier based on capacity. This study includes a) conducting a detailed review on the torrefaction of biomass in terms of understanding the process, product properties, off-gas compositions, and methods used, and b) to design a moving bed torrefier, taking into account the basic fundamental heat and mass transfer calculations. Specific objectives include calculating the dimensions like diameter and height of the moving packed bed for different capacities, designing the heat loads and gas flow rates, and developing an interactive excel sheet where the user can define design specifications. In this report, 25–1000 kg/hr are used in equations for the design of the torrefier, examples of calculations, and specifications for the torrefier.

  20. Biomass Torrefaction Process Review and Moving Bed Torrefaction System Model Development

    SciTech Connect (OSTI)

    Jaya Shakar Tumuluru; Shahab Sokhansanj; Christopher T. Wright; Richard D. Boardman

    2010-08-01

    Torrefaction is currently developing as an important preprocessing step to improve the quality of biomass in terms of physical properties, and proximate and ultimate composition. Torrefaction is a slow heating of biomass in an inert or reduced environment to a maximum temperature of 300 C. Torrefaction can also be defined as a group of products resulting from the partially controlled and isothermal pyrolysis of biomass occurring in a temperature range of 200-230 C and 270-280 C. Thus, the process can also be called a mild pyrolysis as it occurs at the lower temperature range of the pyrolysis process. At the end of the torrefaction process, a solid uniform product with lower moisture content and higher energy content than raw biomass is produced. Most of the smoke-producing compounds and other volatiles are removed during torrefaction, producing a final product that will have a lower mass but a higher heating value. An important aspect of research is to establish a degree of torrefaction where gains in heating value offset the loss of mass. There is a lack of literature on torrefaction reactor designs and a design sheet for estimating the dimensions of the torrefier based on capacity. This study includes (a) conducting a detailed review on the torrefaction of biomass in terms of understanding the process, product properties, off-gas compositions, and methods used, and (b) to design a moving bed torrefier, taking into account the basic fundamental heat and mass transfer calculations. Specific objectives include calculating the dimensions like diameter and height of the moving packed bed for different capacities, designing the heat loads and gas flow rates, and developing an interactive excel sheet where the user can define design specifications. In this report, 25-1000 kg/hr are used in equations for the design of the torrefier, examples of calculations, and specifications for the torrefier.

  1. Numerical models analysis of energy conversion process in air-breathing laser propulsion

    SciTech Connect (OSTI)

    Hong Yanji; Song Junling; Cui Cunyan; Li Qian

    2011-11-10

    Energy source was considered as a key essential in this paper to describe energy conversion process in air-breathing laser propulsion. Some secondary factors were ignored when three independent modules, ray transmission module, energy source term module and fluid dynamic module, were established by simultaneous laser radiation transportation equation and fluid mechanics equation. The incidence laser beam was simulated based on ray tracing method. The calculated results were in good agreement with those of theoretical analysis and experiments.

  2. Manufacturing process modeling for composite materials and structures, Sandia blade reliability collaborative

    SciTech Connect (OSTI)

    Guest, Daniel A.; Cairns, Douglas S.

    2014-02-01

    The increased use and interest in wind energy over the last few years has necessitated an increase in the manufacturing of wind turbine blades. This increase in manufacturing has in many ways out stepped the current understanding of not only the materials used but also the manufacturing methods used to construct composite laminates. The goal of this study is to develop a list of process parameters which influence the quality of composite laminates manufactured using vacuum assisted resin transfer molding and to evaluate how they influence laminate quality. Known to be primary factors for the manufacturing process are resin flow rate and vacuum pressure. An incorrect balance of these parameters will often cause porosity or voids in laminates that ultimately degrade the strength of the composite. Fiber waviness has also been seen as a major contributor to failures in wind turbine blades and is often the effect of mishandling during the lay-up process. Based on laboratory tests conducted, a relationship between these parameters and laminate quality has been established which will be a valuable tool in developing best practices and standard procedures for the manufacture of wind turbine blade composites.

  3. Microscale Electrode Design Using Coupled Kinetic, Thermal and...

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

    Documents & Publications track 3: enhanced geothermal systems (EGS) | geothermal 2015 peer review Coupled Kinetic, Thermal, and Mechanical Modeling of FIB Micro-machined...

  4. Measurement and modeling of advanced coal conversion processes. Twenty-second quarterly report, January 2, 1992--March 31, 1992

    SciTech Connect (OSTI)

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

    1992-12-01

    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.

  5. Injection-Molded Long-Fiber Thermoplastic Composites: From Process Modeling to Prediction of Mechanical Properties

    SciTech Connect (OSTI)

    Nguyen, Ba Nghiep; Kunc, Vlastimil; Jin, Xiaoshi; Tucker III, Charles L.; Costa, Franco

    2013-12-18

    This article illustrates the predictive capabilities for long-fiber thermoplastic (LFT) composites that first simulate the injection molding of LFT structures by Autodesk Simulation Moldflow Insight (ASMI) to accurately predict fiber orientation and length distributions in these structures. After validating fiber orientation and length predictions against the experimental data, the predicted results are used by ASMI to compute distributions of elastic properties in the molded structures. In addition, local stress-strain responses and damage accumulation under tensile loading are predicted by an elastic-plastic damage model of EMTA-NLA, a nonlinear analysis tool implemented in ABAQUS via user-subroutines using an incremental Eshelby-Mori-Tanaka approach. Predicted stress-strain responses up to failure and damage accumulations are compared to the experimental results to validate the model.

  6. Full-Scale Numerical Modeling of Turbulent Processes in the Earth's Ionosphere

    SciTech Connect (OSTI)

    Eliasson, B.; Stenflo, L.; Shukla, P. K.

    2008-10-15

    We present a full-scale simulation study of ionospheric turbulence by means of a generalized Zakharov model based on the separation of variables into high-frequency and slow time scales. The model includes realistic length scales of the ionospheric profile and of the electromagnetic and electrostatic fields, and uses ionospheric plasma parameters relevant for high-latitude radio facilities such as Eiscat and HAARP. A nested grid numerical method has been developed to resolve the different length-scales, while avoiding severe restrictions on the time step. The simulation demonstrates the parametric decay of the ordinary mode into Langmuir and ion-acoustic waves, followed by a Langmuir wave collapse and short-scale caviton formation, as observed in ionospheric heating experiments.

  7. Model studies in cytochrome P-450 mediated toxicity of halogenated compounds: radical processes involving iron porphyrins

    SciTech Connect (OSTI)

    Brault, D.

    1985-12-01

    Haloalkane toxicity originates from attack on biological targets by reactive intermediates derived from haloalkane metabolism by a hemoprotein, cytochrome P-450. Carbon-centered radicals and their peroxylderivatives are most likely involved. The reactions of iron porphyrin - a model for cytochrome P-450 - with various carbon-centered and peroxyl radicals generated by pulse radiolysis are examined. Competition between iron porphyrin and unsaturated fatty acids for attack by peroxyl radicals is pointed out. These kinetic data are used to derive a model for toxicity of haloalkanes with particular attention to carbon tetrachloride and halothane. The importance of local oxygen concentration and structural arrangement of fatty acids around cytochrome P-450 is emphasized. 56 references.

  8. MODELING AN ION EXCHANGE PROCESS FOR CESIUM REMOVAL FROM ALKALINE RADIOACTIVE WASTE SOLUTIONS

    SciTech Connect (OSTI)

    Smith, F; Luther Hamm, L; Sebastian Aleman, S; Johnston Michael, J

    2008-08-26

    The performance of spherical Resorcinol-Formaldehyde ion-exchange resin for the removal of cesium from alkaline radioactive waste solutions has been investigated through computer modeling. Cesium adsorption isotherms were obtained by fitting experimental data using a thermodynamic framework. Results show that ion-exchange is an efficient method for cesium removal from highly alkaline radioactive waste solutions. On average, two 1300 liter columns operating in series are able to treat 690,000 liters of waste with an initial cesium concentration of 0.09 mM in 11 days achieving a decontamination factor of over 50,000. The study also tested the sensitivity of ion-exchange column performance to variations in flow rate, temperature and column dimensions. Modeling results can be used to optimize design of the ion exchange system.

  9. Measurement and modeling of advanced coal conversion processes. Annual report, October 1990--September 1991

    SciTech Connect (OSTI)

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

    1991-12-31

    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 program will merge significant advances made in measuring and quantitatively describing the mechanisms in coal conversion behavior. 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.

  10. SUSTAINABLE MANUFACTURING VIA MULTI-SCALE PHYSICS-BASED PROCESS MODELING AND MANUFACTURING-INFORMED DESIGN

    Broader source: Energy.gov [DOE]

    Micro-structural modeling tools for metals are being developed and used to demonstrate a design framework to improve the understanding of dynamic response and statistical variability. This project will enable design engineers to evaluate the effects of design changes and material selection; anticipate quality and cost prior to implementation on the factory floor; and enable low-waste, low-cost manufacturing. Third Wave Systems, Inc. - Minneapolis, MN

  11. SUSTAINABLE MANUFACTURING VIA MULTI-SCALE PHYSICS-BASED PROCESS MODELING

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

    AND MANUFACTURING-INFORMED DESIGN | Department of Energy Third Wave Systems, Inc. - Minneapolis, MN Micro-structural modeling tools for metals are being developed and used to demonstrate a design framework to improve the understanding of dynamic response and statistical variability. This project will enable design engineers to evaluate the effects of design changes and material selection; anticipate quality and cost prior to implementation on the factory floor; and enable low-waste, low-cost

  12. Coupling in the Tevatron

    SciTech Connect (OSTI)

    Gelfand, N.M.

    1994-12-01

    The performance of the Fermilab Tevatron Collider at the commencement of run Ib was far below expectations. After a frustrating period of several months, a low-{beta} quad downstream of the interaction point at B0 was found to be rolled. This rolled quadrupole coupled the horizontal and vertical motion of the Tevatron beams. It also made matching the beam from the Main Ring to the Tevatron impossible, resulting in emittance blow up on injection. The net result of the roll was a significant reduction in the Tevatron luminosity. When the roll in the quadrupole was corrected the performance of the Tevatron improved dramatically. This note will discuss the experimental data indicating the presence of coupling and subsequent calculations which show how coupling an affect the luminosity. It is not intended to exhaust a discussion of coupling, which hopefully will be understood well enough to be discussed in a subsequent note.

  13. Defect Engineering, Cell Processing, and Modeling for High-Performance, Low-Cost Crystalline Silicon Photovoltaics

    SciTech Connect (OSTI)

    Buonassisi, Tonio

    2013-02-26

    The objective of this project is to close the efficiency gap between industrial multicrystalline silicon (mc-Si) and monocrystalline silicon solar cells, while preserving the economic advantage of low-cost, high-volume substrates inherent to mc-Si. Over the course of this project, we made significant progress toward this goal, as evidenced by the evolution in solar-cell efficiencies. While most of the benefits of university projects are diffuse in nature, several unique contributions can be traced to this project, including the development of novel characterization methods, defect-simulation tools, and novel solar-cell processing approaches mitigate the effects of iron impurities ("Impurities to Efficiency" simulator) and dislocations. In collaboration with our industrial partners, this project contributed to the development of cell processing recipes, specialty materials, and equipment that increased cell efficiencies overall (not just multicrystalline silicon). Additionally, several students and postdocs who were either partially or fully engaged in this project (as evidenced by the publication record) are currently in the PV industry, with others to follow.

  14. Processing and modeling issues for thin-film solar cell devices. Final report

    SciTech Connect (OSTI)

    Birkmire, R.W.; Phillips, J.E.

    1997-11-01

    During the third phase of the subcontract, IEC researchers have continued to provide the thin film PV community with greater depth of understanding and insight into a wide variety of issues including: the deposition and characterization of CuIn{sub 1-x}Ga{sub x}Se{sub 2}, a-Si, CdTe, CdS, and TCO thin films; the relationships between film and device properties; and the processing and analysis of thin film PV devices. This has been achieved through the systematic investigation of all aspects of film and device production and through the analysis and quantification of the reaction chemistries involved in thin film deposition. This methodology has led to controlled fabrications of 15% efficient CuIn{sub 1-x}Ga{sub x}Se{sub 2} solar cells over a wide range of Ga compositions, improved process control of the fabrication of 10% efficient a-Si solar cells, and reliable and generally applicable procedures for both contacting and doping films. Additional accomplishments are listed below.

  15. Plasma nitriding monitoring reactor: A model reactor for studying plasma nitriding processes using an active screen

    SciTech Connect (OSTI)

    Hamann, S. Röpcke, J.; Börner, K.; Burlacov, I.; Spies, H.-J.; Strämke, M.; Strämke, S.

    2015-12-15

    A laboratory scale plasma nitriding monitoring reactor (PLANIMOR) has been designed to study the basics of active screen plasma nitriding (ASPN) processes. PLANIMOR consists of a tube reactor vessel, made of borosilicate glass, enabling optical emission spectroscopy (OES) and infrared absorption spectroscopy. The linear setup of the electrode system of the reactor has the advantages to apply the diagnostic approaches on each part of the plasma process, separately. Furthermore, possible changes of the electrical field and of the heat generation, as they could appear in down-scaled cylindrical ASPN reactors, are avoided. PLANIMOR has been used for the nitriding of steel samples, achieving similar results as in an industrial scale ASPN reactor. A compact spectrometer using an external cavity quantum cascade laser combined with an optical multi-pass cell has been applied for the detection of molecular reaction products. This allowed the determination of the concentrations of four stable molecular species (CH{sub 4}, C{sub 2}H{sub 2}, HCN, and NH{sub 3}). With the help of OES, the rotational temperature of the screen plasma could be determined.

  16. Framework for Risk Analysis in Multimedia Environmental Systems: Modeling Individual Steps of a Risk Assessment Process

    SciTech Connect (OSTI)

    Shah, Anuj; Castleton, Karl J.; Hoopes, Bonnie L.

    2004-06-01

    The study of the release and effects of chemicals in the environment and their associated risks to humans is central to public and private decision making. FRAMES 1.X, Framework for Risk Analysis in Multimedia Environmental Systems, is a systems modeling software platform, developed by PNNL, Pacific Northwest National Laboratory, that helps scientists study the release and effects of chemicals on a source to outcome basis, create environmental models for similar risk assessment and management problems. The unique aspect of FRAMES is to dynamically introduce software modules representing individual components of a risk assessment (e.g., source release of contaminants, fate and transport in various environmental media, exposure, etc.) within a software framework, manipulate their attributes and run simulations to obtain results. This paper outlines the fundamental constituents of FRAMES 2.X, an enhanced version of FRAMES 1.X, that greatly improve the ability of the module developers to “plug” their self-developed software modules into the system. The basic design, the underlying principles and a discussion of the guidelines for module developers are presented.

  17. Numerical Modeling of Geomechanical Processes Related to CO{sub 2} Injection within Generic Reservoirs

    SciTech Connect (OSTI)

    Eckert, Andreas

    2013-05-31

    In this project generic anticline structures have been used for numerical modeling analyses to study the influence of geometrical parameters, fluid flow boundary conditions, in situ stress regime and inter-bedding friction coefficient on geomechanical risks such as fracture reactivation and fracture generation. The resulting stress states for these structures are also used to determine safe drilling directions and a methodology for wellbore trajection optimization is developed that is applicable for non-Andersonian stress states. The results of the fluid flow simulation show that the type of fluid flow boundary condition is of utmost importance and has significant impact on all injection related parameters. It is recommended that further research is conducted to establish a method to quantify the fluid flow boundary conditions for injection applications. The results of the geomechanical simulation show that in situ stress regime is a crucial, if not the most important, factor determining geomechanical risks. For extension and strike slip stress regimes anticline structures should be favored over horizontally layered basin as they feature higher ΔP{sub c} magnitudes. If sedimentary basins are tectonically relaxed and their state of stress is characterized by the uni-axial strain model the basin is in exact frictional equilibrium and fluids should not be injected. The results also show that low inter bedding friction coefficients effectively decouple layers resulting in lower ΔP{sub c} magnitudes, especially for the compressional stress regime.

  18. Preliminary Feasibility Assessment of Integrating CCHP with NW Food Processing Plant #1: Modeling Documentation

    SciTech Connect (OSTI)

    Hoffman, Michael G.; Srivastava, Viraj; Wagner, Anne W.; Makhmalbaf, Atefe; Thornton, John

    2014-01-01

    The Pacific Northwest National Laboratory (PNNL) has launched a project funded by the Bonneville Power Association (BPA) to identify strategies for increasing industrial energy efficiency and reducing energy costs of Northwest Food Processors Association (NWFPA) plants through deployment of novel combinations and designs of variable-output combined heat and power (CHP) distributed generation (DG), combined cooling, heating and electric power (CCHP) DG and energy storage systems. Detailed evaluations and recommendations of CHP and CCHP DG systems will be performed for several Northwest (NW) food processing sites. The objective is to reduce the overall energy use intensity of NW food processors by 25% by 2020 and by 50% by 2030, as well as reducing emissions and understanding potential congestion reduction impacts on the transmission system in the Pacific Northwest.

  19. A new smoothed particle hydrodynamics non-Newtonian model for friction stir welding: Process modeling and simulation of microstructure evolution in a magnesium alloy

    SciTech Connect (OSTI)

    Pan, Wenxiao; Li, Dongsheng; Tartakovsky, Alexandre M.; Ahzi, Said; Khraisheh, Marwan; Khaleel, Mohammad A.

    2013-09-06

    We present a new smoothed particle hydrodynamics (SPH) model for friction stir welding (FSW). FSW has found broad commercial application in the marine, aerospace, rail and automotive industries. Development of the FSW process for each new application, however, has remained largely empirical. Few established numerical modeling techniques have been developed that can explain and predict important features of the process physics involved in FSW. This is particularly true in the areas of material ?ow, mixing mechanisms, and void formation. In this paper we present a novel modeling approach to simulate FSW that may have signi?cant advantages over current ?nite element or ?nite di?erence based methods. Unlike traditional grid-based methods, Lagrangian particle methods such as SPH can simulate the dynamics of interfaces, large material deformations, and the materials strain and temperature history without employing complex tracking schemes. Three-dimensional simulations of FSW on AZ31 Mg alloy are presented. Numerical results are in a close quantitative agreement with experimental observations.

  20. A dislocation-based, strain–gradient–plasticity strengthening model for deformation processed metal–metal composites

    SciTech Connect (OSTI)

    Tian, Liang; Russell, Alan; Anderson, Iver

    2014-01-03

    Deformation processed metal–metal composites (DMMCs) are high-strength, high-electrical conductivity composites developed by severe plastic deformation of two ductile metal phases. The extraordinarily high strength of DMMCs is underestimated using the rule of mixture (or volumetric weighted average) of conventionally work-hardened metals. A dislocation-density-based, strain–gradient–plasticity model is proposed to relate the strain-gradient effect with the geometrically necessary dislocations emanating from the interface to better predict the strength of DMMCs. The model prediction was compared with our experimental findings of Cu–Nb, Cu–Ta, and Al–Ti DMMC systems to verify the applicability of the new model. The results show that this model predicts the strength of DMMCs better than the rule-of-mixture model. The strain-gradient effect, responsible for the exceptionally high strength of heavily cold worked DMMCs, is dominant at large deformation strain since its characteristic microstructure length is comparable with the intrinsic material length.

  1. Process gg{yields}h{sub 0}{yields}{gamma}{gamma} in the Lee-Wick standard model

    SciTech Connect (OSTI)

    Krauss, F.; Underwood, T. E. J.; Zwicky, R.

    2008-01-01

    The process gg{yields}h{sub 0}{yields}{gamma}{gamma} is studied in the Lee-Wick extension of the standard model (LWSM) proposed by Grinstein, O'Connell, and Wise. In this model, negative norm partners for each SM field are introduced with the aim to cancel quadratic divergences in the Higgs mass. All sectors of the model relevant to gg{yields}h{sub 0}{yields}{gamma}{gamma} are diagonalized and results are commented on from the perspective of both the Lee-Wick and higher-derivative formalisms. Deviations from the SM rate for gg{yields}h{sub 0} are found to be of the order of 15%-5% for Lee-Wick masses in the range 500-1000 GeV. Effects on the rate for h{sub 0}{yields}{gamma}{gamma} are smaller, of the order of 5%-1% for Lee-Wick masses in the same range. These comparatively small changes may well provide a means of distinguishing the LWSM from other models such as universal extra dimensions where same-spin partners to standard model fields also appear. Corrections to determinations of Cabibbo-Kobayashi-Maskawa (CKM) elements |V{sub t(b,s,d)}| are also considered and are shown to be positive, allowing the possibility of measuring a CKM element larger than unity, a characteristic signature of the ghostlike nature of the Lee-Wick fields.

  2. A dislocation-based, strain–gradient–plasticity strengthening model for deformation processed metal–metal composites

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

    Tian, Liang; Russell, Alan; Anderson, Iver

    2014-01-03

    Deformation processed metal–metal composites (DMMCs) are high-strength, high-electrical conductivity composites developed by severe plastic deformation of two ductile metal phases. The extraordinarily high strength of DMMCs is underestimated using the rule of mixture (or volumetric weighted average) of conventionally work-hardened metals. A dislocation-density-based, strain–gradient–plasticity model is proposed to relate the strain-gradient effect with the geometrically necessary dislocations emanating from the interface to better predict the strength of DMMCs. The model prediction was compared with our experimental findings of Cu–Nb, Cu–Ta, and Al–Ti DMMC systems to verify the applicability of the new model. The results show that this model predicts themore » strength of DMMCs better than the rule-of-mixture model. The strain-gradient effect, responsible for the exceptionally high strength of heavily cold worked DMMCs, is dominant at large deformation strain since its characteristic microstructure length is comparable with the intrinsic material length.« less

  3. An Expert Elicitation Process in Support of Groundwater Model Evaluation for Frenchman Flat, Nevada National Security Site

    SciTech Connect (OSTI)

    Chapman Jenny,Pohlmann Karl

    2011-02-01

    The U.S. Department of Energy is implementing corrective actions at facilities where nuclear-related operations were conducted in Nevada. Among the most significant sites being addressed are the locations of underground nuclear tests on the Nevada National Security Site (NNSS). The process for implementing corrective actions for the Underground Test Area (UGTA) locations is defined in Appendix VI of a Federal Facility Agreement and Consent Order (1996, as amended). In broad terms, Appendix VI describes a Corrective Action Investigation followed by a Corrective Action Decision, and implementation of a Corrective Action Plan prior to closure. The Frenchman Flat Corrective Action Unit (CAU) is farthest along in the UGTA corrective action process. It includes ten underground tests within the Frenchman Flat topographic basin, in the southeastern portion of the NNSS. Data have been collected from drilling exploration, hydrologic testing, and field and laboratory studies. Modeling has been completed at a variety of scales and focusing on a variety of flow and transport aspects ranging from regional boundary conditions to process dynamics within a single nuclear cavity. The culmination of the investigations is a transport model for the Frenchman Flat CAU (Stoller Navarro Joint Venture, 2009) that has undergone rigorous peer review and been accepted by the State of Nevada, setting the stage for the Corrective Action Decision and progression from the investigation phase to the corrective action phase of the project.

  4. Extensible packet processing architecture

    DOE Patents [OSTI]

    Robertson, Perry J.; Hamlet, Jason R.; Pierson, Lyndon G.; Olsberg, Ronald R.; Chun, Guy D.

    2013-08-20

    A technique for distributed packet processing includes sequentially passing packets associated with packet flows between a plurality of processing engines along a flow through data bus linking the plurality of processing engines in series. At least one packet within a given packet flow is marked by a given processing engine to signify by the given processing engine to the other processing engines that the given processing engine has claimed the given packet flow for processing. A processing function is applied to each of the packet flows within the processing engines and the processed packets are output on a time-shared, arbitered data bus coupled to the plurality of processing engines.

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

    SciTech Connect (OSTI)

    Lovley, Derek R.

    2014-03-05

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

  6. User manual for AQUASTOR: a computer model for cost analysis of aquifer thermal energy storage coupled with district heating or cooling systems. Volume I. Main text

    SciTech Connect (OSTI)

    Huber, H.D.; Brown, D.R.; Reilly, R.W.

    1982-04-01

    A computer model called AQUASTOR was developed for calculating the cost of district heating (cooling) using thermal energy supplied by an aquifer thermal energy storage (ATES) system. The AQUASTOR model can simulate ATES district heating systems using stored hot water or ATES district cooling systems using stored chilled water. AQUASTOR simulates the complete ATES district heating (cooling) system, which consists of two principal parts: the ATES supply system and the district heating (cooling) distribution system. The supply system submodel calculates the life-cycle cost of thermal energy supplied to the distribution system by simulating the technical design and cash flows for the exploration, development, and operation of the ATES supply system. The distribution system submodel calculates the life-cycle cost of heat (chill) delivered by the distribution system to the end-users by simulating the technical design and cash flows for the construction and operation of the distribution system. The model combines the technical characteristics of the supply system and the technical characteristics of the distribution system with financial and tax conditions for the entities operating the two systems into one techno-economic model. This provides the flexibility to individually or collectively evaluate the impact of different economic and technical parameters, assumptions, and uncertainties on the cost of providing district heating (cooling) with an ATES system. This volume contains the main text, including introduction, program description, input data instruction, a description of the output, and Appendix H, which contains the indices for supply input parameters, distribution input parameters, and AQUASTOR subroutines.

  7. Spin orbital torque driven magnetization switching in magnetic tunnel junction with inter-layer exchange coupling

    SciTech Connect (OSTI)

    Xu, Lei; Ma, Zhongshui; Wei, Dan

    2015-01-14

    The switching processes of elliptically shaped magnetic tunnel junction bits with the structure Ta/CoFeB/MgO/CoFeB have been studied by the micromagnetic models. By comparing the tunneling magneto-resistance minor and major loops calculated by our model with related experimental results, we found that the inter-layer exchange coupling between the two CoFeB layers and a reduced saturation magnetization M{sub s} distribution at the edge of the elliptical bit should be included. The chosen strength of the inter-layer exchange coupling also matches well with experimental observations. The current induced magnetization switching is generated from the spin Hall effect in the Ta layer. The critical switching currents calculated by our model are coincident with experiment. This shows the reliability of our micromagnetic model with the spin orbital torque term.

  8. Mathematical model and calculation algorithm of micro and meso levels of separation process of gaseous mixtures in molecular sieves

    SciTech Connect (OSTI)

    Umarova, Zhanat; Botayeva, Saule; Yegenova, Aliya; Usenova, Aisaule

    2015-05-15

    In the given article, the main thermodynamic aspects of the issue of modeling diffusion transfer in molecular sieves have been formulated. Dissipation function is used as a basic notion. The differential equation, connecting volume flow with the change of the concentration of catchable component has been derived. As a result, the expression for changing the concentration of the catchable component and the coefficient of membrane detecting has been received. As well, the system approach to describing the process of gases separation in ultra porous membranes has been realized and micro and meso-levels of mathematical modeling have been distinguished. The non-ideality of the shared system is primarily taken into consideration at the micro-level and the departure from the diffusion law of Fick has been taken into account. The calculation method of selectivity considering fractal structure of membranes has been developed at the meso level. The calculation algorithm and its software implementation have been suggested.

  9. FOAM: Expanding the horizons of climate modeling

    SciTech Connect (OSTI)

    Tobis, M.; Foster, I.T.; Schafer, C.M.

    1997-10-01

    We report here on a project that expands the applicability of dynamic climate modeling to very long time scales. The Fast Ocean Atmosphere Model (FOAM) is a coupled ocean atmosphere model that incorporates physics of interest in understanding decade to century time scale variability. It addresses the high computational cost of this endeavor with a combination of improved ocean model formulation, low atmosphere resolution, and efficient coupling. It also uses message passing parallel processing techniques, allowing for the use of cost effective distributed memory platforms. The resulting model runs over 6000 times faster than real time with good fidelity, and has yielded significant results.

  10. Measuring W photon couplings in a 500 GeV e sup + e sup - collider

    SciTech Connect (OSTI)

    Yehudai, E.

    1991-08-01

    The Standard Model gives definite predictions for the W-photon couplings. Measuring them would test an important ingredient of the model. In this work we study the capability of a 500 GeV e{sup +}e{sup {minus}} collider to measure these couplings. We study the most general C and P conserving WW{lambda} vertex. This vertex contains two free parameters, {kappa} and {lambda}. We look at three processes: e{sup +}e{sup {minus}} {yields} W{sup +}W{sup {minus}}, e{lambda} {yields} W{nu} and {lambda}{lambda} {yields} W{sup +}W{sup {minus}}. For each process we present analytical expressions of helicity amplitudes for arbitrary values of {kappa} and {lambda}. We consider three different sources for the initial photon(s). The first two are breamsstrahlung and beamstrahlung (photon radiation induced by the collective fields of the opposite bunch). Both occur naturally in the collider environment. The third is a photon beam generated by scattering low energy laser light off a high energy electron beam. We examine potential observables for each process, calculating their sensitivity to {kappa} and {lambda}, and estimating the accuracy with which they can be measured. Assuming Standard Model values are actually measured, we present the region in the {kappa}-{lambda} plane to which the W couplings can be restricted with a given confidence level. We find that combining the three processes, one can measure {kappa} and {lambda} with accuracy of 0.01--0.02.

  11. DEVELOPMENT OF A KINETIC MODEL OF BOEHMITE DISSOLUTION IN CAUSTIC SOLUTIONS APPLIED TO OPTIMIZE HANFORD WASTE PROCESSING

    SciTech Connect (OSTI)

    DISSELKAMP RS

    2011-01-06

    Boehmite (e.g., aluminum oxyhydroxide) is a major non-radioactive component in Hanford and Savannah River nuclear tank waste sludge. Boehmite dissolution from sludge using caustic at elevated temperatures is being planned at Hanford to minimize the mass of material disposed of as high-level waste (HLW) during operation of the Waste Treatment Plant (WTP). To more thoroughly understand the chemistry of this dissolution process, we have developed an empirical kinetic model for aluminate production due to boehmite dissolution. Application of this model to Hanford tank wastes would allow predictability and optimization of the caustic leaching of aluminum solids, potentially yielding significant improvements to overall processing time, disposal cost, and schedule. This report presents an empirical kinetic model that can be used to estimate the aluminate production from the leaching of boehmite in Hanford waste as a function of the following parameters: (1) hydroxide concentration; (2) temperature; (3) specific surface area of boehmite; (4) initial soluble aluminate plus gibbsite present in waste; (5) concentration of boehmite in the waste; and (6) (pre-fit) Arrhenius kinetic parameters. The model was fit to laboratory, non-radioactive (e.g. 'simulant boehmite') leaching results, providing best-fit values of the Arrhenius A-factor, A, and apparent activation energy, E{sub A}, of A = 5.0 x 10{sup 12} hour{sup -1} and E{sub A} = 90 kJ/mole. These parameters were then used to predict boehmite leaching behavior observed in previously reported actual waste leaching studies. Acceptable aluminate versus leaching time profiles were predicted for waste leaching data from both Hanford and Savannah River site studies.

  12. Computational fluid dynamics modeling of chemical looping combustion process with calcium sulphate oxygen carrier - article no. A19

    SciTech Connect (OSTI)

    Baosheng Jin; Rui Xiao; Zhongyi Deng; Qilei Song

    2009-07-01

    To concentrate CO{sub 2} in combustion processes by efficient and energy-saving ways is a first and very important step for its sequestration. Chemical looping combustion (CLC) could easily achieve this goal. A chemical-looping combustion system consists of a fuel reactor and an air reactor. Two reactors in the form of interconnected fluidized beds are used in the process: (1) a fuel reactor where the oxygen carrier is reduced by reaction with the fuel, and (2) an air reactor where the reduced oxygen carrier from the fuel reactor is oxidized with air. The outlet gas from the fuel reactor consists of CO{sub 2} and H{sub 2}O, while the outlet gas stream from the air reactor contains only N{sub 2} and some unused O{sub 2}. The water in combustion products can be easily removed by condensation and pure carbon dioxide is obtained without any loss of energy for separation. Until now, there is little literature about mathematical modeling of chemical-looping combustion using the computational fluid dynamics (CFD) approach. In this work, the reaction kinetic model of the fuel reactor (CaSO{sub 4}+ H{sub 2}) is developed by means of the commercial code FLUENT and the effects of partial pressure of H{sub 2} (concentration of H{sub 2}) on chemical looping combustion performance are also studied. The results show that the concentration of H{sub 2} could enhance the CLC performance.

  13. Final Report: Mechanisms of sputter ripple formation: coupling among energetic ions, surface kinetics, stress and composition

    SciTech Connect (OSTI)

    Chason, Eric; Shenoy, Vivek

    2013-01-22

    Self-organized pattern formation enables the creation of nanoscale surface structures over large areas based on fundamental physical processes rather than an applied template. Low energy ion bombardment is one such method that induces the spontaneous formation of a wide variety of interesting morphological features (e.g., sputter ripples and/or quantum dots). This program focused on the processes controlling sputter ripple formation and the kinetics controlling the evolution of surfaces and nanostructures in high flux environments. This was done by using systematic, quantitative experiments to measure ripple formation under a variety of processing conditions coupled with modeling to interpret the results.

  14. Precise determination of the mass of the Higgs boson and tests of compatibility of its couplings with the standard model predictions using proton collisions at 7 and 8 TeV

    SciTech Connect (OSTI)

    Khachatryan, Vardan

    2015-05-14

    Properties of the Higgs boson with mass near 125 GeV are measured in proton-proton collisions with the CMS experiment at the LHC. Comprehensive sets of production and decay measurements are combined. The decay channels include ??, ZZ, WW, ??, bb, and ?? pairs. The data samples were collected in 2011 and 2012 and correspond to integrated luminosities of up to 5.1 fb? at 7 TeV and up to 19.7 fb? at 8 TeV. From the high-resolution ?? and ZZ channels, the mass of the Higgs boson is determined to be 125.02\\,+0.26-0.27(stat)+0.14-0.15(syst) GeV. For this mass value, the event yields obtained in the different analyses tagging specific decay channels and production mechanisms are consistent with those expected for the standard model Higgs boson. The combined best-fit signal relative to the standard model expectation is 1.00 0.09 (stat), +0.08 -0.07 (theo) 0.07 (syst) at the measured mass. The couplings of the Higgs boson are probed for deviations in magnitude from the standard model predictions in multiple ways, including searches for invisible and undetected decays. No significant deviations are found.

  15. T2Well/ECO2N Version 1.0: Multiphase and Non-Isothermal Model for Coupled Wellbore-Reservoir Flow of Carbon Dioxide and Variable Salinity Water

    Energy Science and Technology Software Center (OSTI)

    2011-08-24

    T2Well/ECO2N is a coupled wellbore and reservoir model for simulating the dynamics of CO2 injection and leakage through wellbores. It can be seen as an extension to standard TOUGH/ECO2N V2.0, and can be applied to situations relevant to geologic CO2 storage involving upward flow (e.g., leakage) and downward flow (injection). The new simulator integrates a wellbore-reservoir system by assigning the wellbore and reservoir to two different sub-domains in which flow is controlled by appropriate physicalmore » laws. In the reservoir, we model flow using a standard multiphase Darcy flow approach. In the wellbores, we use the Drift-Flux Model and related conservation equations for describing transient two-phase non-isothermal wellbore flow of CO2-water mixtures. The mass and thermal energy balance equations are solved numerically by a finite difference scheme with wellbore heat transmission to the surrounding rock handled either semi-analytically or numerically. The momentum balance equation for the flow in the wellbore is solved numerically with a semi-explicit scheme.« less

  16. Precise determination of the mass of the Higgs boson and tests of compatibility of its couplings with the standard model predictions using proton collisions at 7 and 8 TeV

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

    Khachatryan, Vardan

    2015-05-14

    Properties of the Higgs boson with mass near 125 GeV are measured in proton-proton collisions with the CMS experiment at the LHC. Comprehensive sets of production and decay measurements are combined. The decay channels include ??, ZZ, WW, ??, bb, and ?? pairs. The data samples were collected in 2011 and 2012 and correspond to integrated luminosities of up to 5.1 fb? at 7 TeV and up to 19.7 fb? at 8 TeV. From the high-resolution ?? and ZZ channels, the mass of the Higgs boson is determined to be 125.02\\,+0.26-0.27(stat)+0.14-0.15(syst) GeV. For this mass value, the event yields obtainedmorein the different analyses tagging specific decay channels and production mechanisms are consistent with those expected for the standard model Higgs boson. The combined best-fit signal relative to the standard model expectation is 1.00 0.09 (stat), +0.08 -0.07 (theo) 0.07 (syst) at the measured mass. The couplings of the Higgs boson are probed for deviations in magnitude from the standard model predictions in multiple ways, including searches for invisible and undetected decays. No significant deviations are found.less

  17. Precise determination of the mass of the Higgs boson and tests of compatibility of its couplings with the standard model predictions using proton collisions at 7 and 8 $$\\,\\text {TeV}$$

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

    Khachatryan, Vardan

    2015-05-14

    Properties of the Higgs boson with mass near 125GeV are measured in proton-proton collisions with the CMS experiment at the LHC. Comprehensive sets of production and decay measurements are combined. The decay channels include γγ, ZZ, WW, ττ, bb, and μμ pairs. The data samples were collected in 2011 and 2012 and correspond to integrated luminosities of up to 5.1fb-1 at 7TeV and up to 19.7fb-1 at 8TeV. From the high-resolution γγ and ZZ channels, the mass of the Higgs boson is determined to be 125.02+0.26–0.27 (stat) +0.14–0.15 (syst) GeV. For this mass value, the event yields obtained in themore » different analyses tagging specific decay channels and production mechanisms are consistent with those expected for the standard model Higgs boson. The combined best-fit signal relative to the standard model expectation is 1.00 ± 0.09(stat)+0.08–0.07 (theo) ± 0.07(syst) at the measured mass. The couplings of the Higgs boson are probed for deviations in magnitude from the standard model predictions in multiple ways, including searches for invisible and undetected decays. As a result, no significant deviations are found.« less

  18. Measurement and modeling of advanced coal conversion processes. 23rd quarterly report, April 1, 1992--June 30, 1992

    SciTech Connect (OSTI)

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

    1992-12-31

    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.

  19. Managing complexity in simulations of land surface and near-surface processes

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

    Coon, Ethan T.; Moulton, J. David; Painter, Scott L.

    2016-01-12

    Increasing computing power and the growing role of simulation in Earth systems science have led to an increase in the number and complexity of processes in modern simulators. We present a multiphysics framework that specifies interfaces for coupled processes and automates weak and strong coupling strategies to manage this complexity. Process management is enabled by viewing the system of equations as a tree, where individual equations are associated with leaf nodes and coupling strategies with internal nodes. A dynamically generated dependency graph connects a variable to its dependencies, streamlining and automating model evaluation, easing model development, and ensuring models aremore » modular and flexible. Additionally, the dependency graph is used to ensure that data requirements are consistent between all processes in a given simulation. Here we discuss the design and implementation of these concepts within the Arcos framework, and demonstrate their use for verification testing and hypothesis evaluation in numerical experiments.« less

  20. PRODUCTION OF THE p-PROCESS NUCLEI IN THE CARBON-DEFLAGRATION MODEL FOR TYPE Ia SUPERNOVAE

    SciTech Connect (OSTI)

    Kusakabe, Motohiko; Iwamoto, Nobuyuki; Nomoto, Ken'ichi E-mail: iwamoto.nobuyuki@jaea.go.jp

    2011-01-01

    We calculate the nucleosynthesis of proton-rich isotopes in the carbon-deflagration model for Type Ia supernovae (SNe Ia). The seed abundances are obtained by calculating the s-process nucleosynthesis that is expected to occur in the repeating helium shell flashes on the carbon-oxygen (CO) white dwarf (WD) during mass accretion from a binary companion. When the deflagration wave passes through the outer layer of the CO WD, p-nuclei are produced by photodisintegration reactions on s-nuclei in a region where the peak temperature ranges from 1.9 to 3.6 x 10{sup 9} K. We confirm the sensitivity of the p-process on the initial distribution of s-nuclei. We show that the initial C/O ratio in the WD does not affect much the yield of p-nuclei. On the other hand, the abundance of {sup 22}Ne left after s-processing has a large influence on the p-process via the {sup 22}Ne({alpha},n) reaction. We find that about 50% of p-nuclides are co-produced when normalized to their solar abundances in all adopted cases of seed distribution. Mo and Ru, which are largely underproduced in Type II supernovae (SNe II), are produced more than in SNe II although they are underproduced with respect to the yield levels of other p-nuclides. The ratios between p-nuclei and iron in the ejecta are larger than the solar ratios by a factor of 1.2. We also compare the yields of oxygen, iron, and p-nuclides in SNe Ia and SNe II and suggest that SNe Ia could make a larger contribution than SNe II to the solar system content of p-nuclei.

  1. North Pacific Mesoscale Coupled Air-Ocean Simulations Compared with Observations

    SciTech Connect (OSTI)

    Koracin, Darko; Cerovecki, Ivana; Vellore, Ramesh; Mejia, John; Hatchett, Benjamin; McCord, Travis; McLean, Julie; Dorman, Clive

    2013-04-11

    Executive summary The main objective of the study was to investigate atmospheric and ocean interaction processes in the western Pacific and, in particular, effects of significant ocean heat loss in the Kuroshio and Kuroshio Extension regions on the lower and upper atmosphere. It is yet to be determined how significant are these processes are on climate scales. The understanding of these processes led us also to development of the methodology of coupling the Weather and Research Forecasting model with the Parallel Ocean Program model for western Pacific regional weather and climate simulations. We tested NCAR-developed research software Coupler 7 for coupling of the WRF and POP models and assessed its usability for regional-scale applications. We completed test simulations using the Coupler 7 framework, but implemented a standard WRF model code with options for both one- and two-way mode coupling. This type of coupling will allow us to seamlessly incorporate new WRF updates and versions in the future. We also performed a long-term WRF simulation (15 years) covering the entire North Pacific as well as high-resolution simulations of a case study which included extreme ocean heat losses in the Kuroshio and Kuroshio Extension regions. Since the extreme ocean heat loss occurs during winter cold air outbreaks (CAO), we simulated and analyzed a case study of a severe CAO event in January 2000 in detail. We found that the ocean heat loss induced by CAOs is amplified by additional advection from mesocyclones forming on the southern part of the Japan Sea. Large scale synoptic patterns with anomalously strong anticyclone over Siberia and Mongolia, deep Aleutian Low, and the Pacific subtropical ridge are a crucial setup for the CAO. It was found that the onset of the CAO is related to the breaking of atmospheric Rossby waves and vertical transport of vorticity that facilitates meridional advection. The study also indicates that intrinsic parameterization of the surface fluxes

  2. Dynamics of dark energy with a coupling to dark matter

    SciTech Connect (OSTI)

    Boehmer, Christian G.; Caldera-Cabral, Gabriela; Maartens, Roy; Lazkoz, Ruth

    2008-07-15

    Dark energy and dark matter are the dominant sources in the evolution of the late universe. They are currently only indirectly detected via their gravitational effects, and there could be a coupling between them without violating observational constraints. We investigate the background dynamics when dark energy is modeled as exponential quintessence and is coupled to dark matter via simple models of energy exchange. We introduce a new form of dark sector coupling, which leads to a more complicated dynamical phase space and has a better physical motivation than previous mathematically similar couplings.

  3. Electronic properties of quasi one-dimensional quantum wire models under equal coupling strength superpositions of Rashba and Dresselhaus spin-orbit interactions in the presence of an in-plane magnetic field

    SciTech Connect (OSTI)

    Papp, E.; Micu, C.; Racolta, D.

    2013-11-13

    In this paper one deals with the theoretical derivation of energy bands and of related wavefunctions characterizing quasi 1D semiconductor heterostructures, such as InAs quantum wire models. Such models get characterized this time by equal coupling strength superpositions of Rashba and Dresselhaus spin-orbit interactions of dimensionless magnitude a under the influence of in-plane magnetic fields of magnitude B. We found that the orientations of the field can be selected by virtue of symmetry requirements. For this purpose one resorts to spin conservations, but alternative conditions providing sensible simplifications of the energy-band formula can be reasonably accounted for. Besides the wavenumber k relying on the 1D electron, one deals with the spin-like s=±1 factors in the front of the square root term of the energy. Having obtained the spinorial wavefunction, opens the way to the derivation of spin precession effects. For this purpose one resorts to the projections of the wavenumber operator on complementary spin states. Such projections are responsible for related displacements proceeding along the Ox-axis. This results in a 2D rotation matrix providing both the precession angle as well as the precession axis.

  4. COAXIAL TUBE COUPLING

    DOE Patents [OSTI]

    Niemoth, H.R.

    1963-02-26

    BS>This patent shows a device for quickly coupling coaxial tubes in metal-to-metal fashion, so as to be suitable for use in a nuclear reactor. A threaded coliar urges a tapered metal extension on the outer coaxial tube into a tapered seat in the device and simultaneously exerts pressure through a coaxial helical spring so that a similar extension on the inner tube seats in a similar seat near the other end. (AEC)

  5. Magnetic coupling device

    DOE Patents [OSTI]

    Nance, Thomas A.

    2009-08-18

    A quick connect/disconnect coupling apparatus is provided in which a base member is engaged by a locking housing through a series of interengagement pins. The pins maintain the shaft in a locked position. Upon exposure to an appropriately positioned magnetic field, pins are removed a sufficient distance such that the shaft may be withdrawn from the locking housing. The ability to lock and unlock the connector assembly requires no additional tools or parts apart from a magnetic key.

  6. Model Based Structural Evaluation & Design of Overpack Container for Bag-Buster Processing of TRU Waste Drums

    SciTech Connect (OSTI)

    D. T. Clark; A. S. Siahpush; G. L. Anderson

    2004-07-01

    This paper describes a materials and computational model based analysis utilized to design an engineered overpack container capable of maintaining structural integrity for confinement of transuranic wastes undergoing the cryo-vacuum stress based Bag-Buster process and satisfying DOT 7A waste package requirements. The engineered overpack is a key component of the Ultra-BagBuster process/system being commercially developed by UltraTech International for potential DOE applications to non-intrusively breach inner confinement layers (poly bags/packaging) within transuranic (TRU) waste drums. This system provides a lower cost/risk approach to mitigate hydrogen gas concentration buildup limitations on transport of high alpha activity organic transuranic wastes. Four evolving overpack design configurations and two materials (low carbon steel and 300 series stainless) were considered and evaluated using non-linear finite element model analyses of structural response. Properties comparisons show that 300-series stainless is required to provide assurance of ductility and structural integrity at both room and cryogenic temperatures. The overpack designs were analyzed for five accidental drop impact orientations onto an unyielding surface (dropped flat on bottom, bottom corner, side, top corner, and top). The first three design configurations failed the bottom and top corner drop orientations (flat bottom, top, and side plates breached or underwent material failure). The fourth design utilized a protruding rim-ring (skirt) below the overpacks bottom plate and above the overpacks lid plate to absorb much of the impact energy and maintained structural integrity under all accidental drop loads at both room and cryogenic temperature conditions. Selected drop testing of the final design will be required to confirm design performance.

  7. Research and development of models and instruments to define, measure, and improve shared information processing with government oversight agencies. An analysis of the literature, August 1990--January 1992

    SciTech Connect (OSTI)

    Not Available

    1992-12-31

    This document identifies elements of sharing, plus key variables of each and their interrelationships. The document`s model of sharing is intended to help management systems` users understand what sharing is and how to integrate it with information processing.

  8. Quick torque coupling

    DOE Patents [OSTI]

    Luft, Peter A.

    2009-05-12

    A coupling for mechanically connecting modular tubular struts of a positioning apparatus or space frame, comprising a pair of toothed rings (10, 12) attached to separate strut members (16), the teeth (18, 20) of the primary rings (10, 12) mechanically interlocking in both an axial and circumferential manner, and a third part comprising a sliding, toothed collar (14) the teeth (22) of which interlock the teeth (18, 20) of the primary rings (10, 12), preventing them from disengaging, and completely locking the assembly together. A secondary mechanism provides a nesting force for the collar, and/or retains it. The coupling is self-contained and requires no external tools for installation, and can be assembled with gloved hands in demanding environments. No gauging or measured torque is required for assembly. The assembly can easily be visually inspected to determine a "go" or "no-go" status. The coupling is compact and relatively light-weight. Because of it's triply interlocking teeth, the connection is rigid. The connection does not primarily rely on clamps, springs or friction based fasteners, and is therefore reliable in fail-safe applications.

  9. Measurement and modeling of advanced coal conversion processes. Twenty-sixth quarterly report, January 1, 1993--March 31, 1993

    SciTech Connect (OSTI)

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

    1993-09-01

    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 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. Success in this program will be a major step in improving the predictive capabilities for coal conversion processes including: Demonstrated accuracy and reliability and a generalized ``first principles`` treatment of coals based on readily obtained composition data.

  10. Processing and modeling issues for thin-film solar cell devices: Annual subcontract report, January 16, 1995 -- January 15, 1996

    SciTech Connect (OSTI)

    Birkmire, R.W.; Phillips, J.E.; Buchanan, W.A.; Eser, E.; Hegedus, S.S.; McCandless, B.E.; Meyers, P.V.; Shafarman, W.N.

    1996-08-01

    The overall mission of the Institute of Energy Conversion is the development of thin film photovoltaic cells, modules, and related manufacturing technology and the education of students and professionals in photovoltaic technology. The objectives of this four-year NREL subcontract are to advance the state of the art and the acceptance of thin film PV modules in the areas of improved technology for thin film deposition, device fabrication, and material and device characterization and modeling, relating to solar cells based on CuInSe{sub 2} and its alloys, on a-Si and its alloys, and on CdTe. In the area of CuInSe{sub 2} and its alloys, EEC researchers have produced CuIn{sub 1-x}GaxSe{sub 2} films by selenization of elemental and alloyed films with H{sub 2}Se and Se vapor and by a wide variety of process variations employing co-evaporation of the elements. Careful design, execution and analysis of these experiments has led to an improved understanding of the reaction chemistry involved, including estimations of the reaction rate constants. Investigation of device fabrication has also included studies of the processing of the Mo, US and ZnO deposition parameters and their influence on device properties. An indication of the success of these procedures was the fabrication of a 15% efficiency CuIn{sub 1-x}GaxSe{sub 2} solar cell.

  11. Measurement and modeling of advanced coal conversion processes. Twenty-seventh quarterly report, April 1, 1993--June 30, 1993

    SciTech Connect (OSTI)

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

    1993-09-01

    Significant advances have been made at Brigham Young University (BYU) in comprehensive two-dimensional computer codes for mechanistic modeling of entrained-bed gasification and pulverized coal combustion. During the same time period, significant advances have been made at Advanced Fuel Research, Inc. (AFR) in the mechanisms and kinetics of coal pyrolysis and secondary reactions of pyrolysis products. This program presents a unique opportunity to merge the technology developed by each organization to provide detailed predictive capability for advanced coal characterization techniques in conjunction with comprehensive computer models to provide accurate process simulations. The program will streamline submodels existing or under development for coal pyrolysis chemistry, volatile secondary reactions, tar formation, soot formation, char reactivity, and SO{sub x}-NO{sub x} pollutant formation. Submodels for coal viscosity, agglomeration, tar/char secondary reactions, sulfur capture, and ash physics and chemistry will be developed or adapted. The submodels will first be incorporated into the BYU entrained-bed gasification code and subsequently, into a fixed-bed gasification code (to be selected and adapted). These codes will be validated by comparison with small scale laboratory and PDU-scale experiments. Progress is described.

  12. Evaluating the efficiency of municipalities in collecting and processing municipal solid waste: A shared input DEA-model

    SciTech Connect (OSTI)

    Rogge, Nicky; De Jaeger, Simon

    2012-10-15

    Highlights: Black-Right-Pointing-Pointer Complexity in local waste management calls for more in depth efficiency analysis. Black-Right-Pointing-Pointer Shared-input Data Envelopment Analysis can provide solution. Black-Right-Pointing-Pointer Considerable room for the Flemish municipalities to improve their cost efficiency. - Abstract: This paper proposed an adjusted 'shared-input' version of the popular efficiency measurement technique Data Envelopment Analysis (DEA) that enables evaluating municipality waste collection and processing performances in settings in which one input (waste costs) is shared among treatment efforts of multiple municipal solid waste fractions. The main advantage of this version of DEA is that it not only provides an estimate of the municipalities overall cost efficiency but also estimates of the municipalities' cost efficiency in the treatment of the different fractions of municipal solid waste (MSW). To illustrate the practical usefulness of the shared input DEA-model, we apply the model to data on 293 municipalities in Flanders, Belgium, for the year 2008.

  13. Multilingual interfaces for parallel coupling in multiphysics and multiscale systems.

    SciTech Connect (OSTI)

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

    2007-01-01

    Multiphysics and multiscale simulation systems are emerging as a new grand challenge in computational science, largely because of increased computing power provided by the distributed-memory parallel programming model on commodity clusters. These systems often present a parallel coupling problem in their intercomponent data exchanges. Another potential problem in these coupled systems is language interoperability between their various constituent codes. In anticipation of combined parallel coupling/language interoperability challenges, we have created a set of interlanguage bindings for a successful parallel coupling library, the Model Coupling Toolkit. We describe the method used for automatically generating the bindings using the Babel language interoperability tool, and illustrate with short examples how MCT can be used from the C++ and Python languages. We report preliminary performance reports for the MCT interpolation benchmark. We conclude with a discussion of the significance of this work to the rapid prototyping of large parallel coupled systems.

  14. A Generic Semi-Implicit Coupling Methodology for Use in RELAP5-3D

    SciTech Connect (OSTI)

    Weaver, Walter Leslie; Tomlinson, E. T.; Aumiller, D. L.

    2002-01-01

    A generic semi-implicit coupling methodology has been developed and implemented in the RELAP5-3D© computer program. This methodology allows RELAP5-3D© to be used with other computer programs to perform integrated analyses of nuclear power reactor systems and related experimental facilities. The coupling methodology potentially allows different programs to be used to model different portions of the system. The programs are chosen based on their capability to model the phenomena that are important in the simulation in the various portions of the system being considered and may use different numbers of conservation equations to model fluid flow in their respective solution domains. The methodology was demonstrated using a test case in which the test geometry was divided into two parts, each of which was solved as a RELAP5-3D© simulation. This test problem exercised all of the semi-implicit coupling features that were implemented in RELAP5-3D© The results of this verification test case show that the semi-implicit coupling methodology produces the same answer as the simulation of the test system as a single process.

  15. Updraft Fixed Bed Gasification Aspen Plus Model

    Energy Science and Technology Software Center (OSTI)

    2007-09-27

    The updraft fixed bed gasification model provides predictive modeling capabilities for updraft fixed bed gasifiers, when devolatilization data is available. The fixed bed model is constructed using Aspen Plus, process modeling software, coupled with a FORTRAN user kinetic subroutine. Current updraft gasification models created in Aspen Plus have limited predictive capabilities and must be "tuned" to reflect a generalized gas composition as specified in literature or by the gasifier manufacturer. This limits the applicability ofmore » the process model.« less

  16. Evaluating the effectiveness of optical coupling techniques

    SciTech Connect (OSTI)

    Wohlgemuth, J.H.; Koval, T.; Whitehouse, D.; Creager, J.

    1994-12-31

    It is important to maximize the amount of sunlight optically coupled into a solar cell. The usual approach to evaluate optical coupling is to fabricate solar cells and then to measure their performance under Standard Test Conditions, using the short circuit current as the figure of merit. This approach suffers from several short comings, including spectral mismatch errors in the measurement and process induced variations in the performance. This paper presents an improved methodology for evaluating optical coupling, based on measuring the reflectance of sample surfaces as a function of wavelength. The effect of using this surface geometry on a particular cell can then be calculated using values of previously measured internal quantum efficiency for the cell technology selected. Data on a variety of surface texture treatments are presented.

  17. Coupled-channel scattering on a torus

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

    Guo, Peng; Dudek, Jozef Jon; Edwards, Robert G.; Szczepaniak, Adam Pawel

    2013-07-01

    Based on the Hamiltonian formalism approach, a generalized Luscher's formula for two particle scattering in both the elastic and coupled-channel cases in moving frames is derived from a relativistic Lippmann-Schwinger equation. Some strategies for extracting scattering amplitudes for a coupled-channel system from the discrete finite-volume spectrum are discussed and illustrated with a toy model of two-channel resonant scattering. This formalism will, in the near future, be used to extract information about hadron scattering from lattice QCD computations.

  18. Sealing coupling. [LMFBR

    DOE Patents [OSTI]

    Pardini, J.A.; Brubaker, R.C.; Rusnak, J.J.

    1982-09-20

    Disclosed is a remotely operable releasable sealing coupling which provides fluid-tight joinder of upper and a lower conduit sections. Each conduit section has a concave conical sealing surface adjacent its end portion. A tubular sleeve having convex spherical ends is inserted between the conduit ends to form line contact with the concave conical end portions. An inwardly projecting lip located at one end of the sleeve cooperates with a retaining collar formed on the upper pipe end to provide swivel capture for the sleeve. The upper conduit section also includes a tapered lower end portion which engages the inside surface of the sleeve to limit misalignment of the connected conduit sections.

  19. Coupling Local to Nonlocal Continuum Models

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

    Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization ... in different parts of a structure between zero (local) and ...

  20. AC Loss Analysis on the Superconducting Coupling Magnet in MICE

    SciTech Connect (OSTI)

    Wu, Hong; Wang, Li; Green, Michael; Li, LanKai; Xu, FengYu; Liu, XiaoKun; Jia, LinXinag

    2008-07-08

    A pair of coupling solenoids is used in MICE experiment to generate magnetic field which keeps the muons within the iris of thin RF cavity windows. The coupling solenoids have a 1.5-meter inner diameter and will produce 7.4 T peak magnetic field. Three types of AC losses in coupling solenoid are discussed. The affect of AC losses on the temperature distribution within the cold mass during charging and rapid discharging process is analyzed also. The analysis result will be further confirmed by the experiment of the prototype solenoid for coupling solenoid, which will be designed, fabricated and tested at ICST.