National Library of Energy BETA

Sample records for models assessing surface

  1. Assessment of Land Surface Model Performance in WRF for Simulating...

    Office of Scientific and Technical Information (OSTI)

    Assessment of Land Surface Model Performance in WRF for Simulating Wind at Heights Relevant to the Wind Energy Community Citation Details In-Document Search Title: Assessment of ...

  2. Assessment of Land Surface Model Performance in WRF for Simulating...

    Office of Scientific and Technical Information (OSTI)

    Wind Energy Community Citation Details In-Document Search Title: Assessment of Land Surface Model Performance in WRF for Simulating Wind at Heights Relevant to the Wind Energy ...

  3. Assessing the nonlinear response of fine particles to precursor emissions: Development and application of an extended response surface modeling technique v1.0

    SciTech Connect (OSTI)

    Zhao, B.; Wang, S. X.; Xing, J.; Fu, K.; Fu, J. S.; Jang, C.; Zhu, Y.; Dong, X. Y.; Gao, Y.; Wu, W. J.; Wang, J. D.; Hao, J. M.

    2015-01-30

    An innovative extended response surface modeling technique (ERSM v1.0) is developed to characterize the nonlinear response of fine particles (PM₂̣₅) to large and simultaneous changes of multiple precursor emissions from multiple regions and sectors. The ERSM technique is developed based on the conventional response surface modeling (RSM) technique; it first quantifies the relationship between PM₂̣₅ concentrations and the emissions of gaseous precursors from each single region using the conventional RSM technique, and then assesses the effects of inter-regional transport of PM₂̣₅ and its gaseous precursors on PM₂̣₅ concentrations in the target region. We apply this novel technique with a widely used regional chemical transport model (CTM) over the Yangtze River delta (YRD) region of China, and evaluate the response of PM₂̣₅ and its inorganic components to the emissions of 36 pollutant–region–sector combinations. The predicted PM₂̣₅ concentrations agree well with independent CTM simulations; the correlation coefficients are larger than 0.98 and 0.99, and the mean normalized errors (MNEs) are less than 1 and 2% for January and August, respectively. It is also demonstrated that the ERSM technique could reproduce fairly well the response of PM₂̣₅ to continuous changes of precursor emission levels between zero and 150%. Employing this new technique, we identify the major sources contributing to PM₂̣₅ and its inorganic components in the YRD region. The nonlinearity in the response of PM₂̣₅ to emission changes is characterized and the underlying chemical processes are illustrated.

  4. Assessing the nonlinear response of fine particles to precursor emissions: Development and application of an extended response surface modeling technique v1.0

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

    Zhao, B.; Wang, S. X.; Xing, J.; Fu, K.; Fu, J. S.; Jang, C.; Zhu, Y.; Dong, X. Y.; Gao, Y.; Wu, W. J.; et al

    2015-01-30

    An innovative extended response surface modeling technique (ERSM v1.0) is developed to characterize the nonlinear response of fine particles (PM₂̣₅) to large and simultaneous changes of multiple precursor emissions from multiple regions and sectors. The ERSM technique is developed based on the conventional response surface modeling (RSM) technique; it first quantifies the relationship between PM₂̣₅ concentrations and the emissions of gaseous precursors from each single region using the conventional RSM technique, and then assesses the effects of inter-regional transport of PM₂̣₅ and its gaseous precursors on PM₂̣₅ concentrations in the target region. We apply this novel technique with a widelymore » used regional chemical transport model (CTM) over the Yangtze River delta (YRD) region of China, and evaluate the response of PM₂̣₅ and its inorganic components to the emissions of 36 pollutant–region–sector combinations. The predicted PM₂̣₅ concentrations agree well with independent CTM simulations; the correlation coefficients are larger than 0.98 and 0.99, and the mean normalized errors (MNEs) are less than 1 and 2% for January and August, respectively. It is also demonstrated that the ERSM technique could reproduce fairly well the response of PM₂̣₅ to continuous changes of precursor emission levels between zero and 150%. Employing this new technique, we identify the major sources contributing to PM₂̣₅ and its inorganic components in the YRD region. The nonlinearity in the response of PM₂̣₅ to emission changes is characterized and the underlying chemical processes are illustrated.« less

  5. ORISE: Dose modeling and assessments

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

    Dose modeling and assessments The Oak Ridge Institute for Science and Education (ORISE) offers dose modeling and assessment services to demonstrate that federal and/or state regulatory compliance requirements are being met during the decontamination and decommissioning of nuclear facilities. Dose modeling is an important step in the assessment of safety and regulatory compliance, as well as the development of standards and regulatory rulemaking. The ultimate goal of dose modeling and assessments

  6. Biosafety Risk Assessment Model

    Energy Science and Technology Software Center (OSTI)

    2011-05-27

    Software tool based on a structured methodology for conducting laboratory biosafety risk assessments by biosafety experts. Software is based upon an MCDA scheme and uses peer reviewed criteria and weights. The software was developed upon Microsoft’s .net framework. The methodology defines likelihood and consequence of a laboratory exposure for thirteen unique scenarios and provides numerical relative risks for each of the relevant thirteen. The software produces 2-d graphs reflecting the relative risk and a sensitivitymore » analysis which highlights the overall importance of each factor. The software works as a set of questions with absolute scales and uses a weighted additive model to calculate the likelihood and consequence.« less

  7. ORISE: Dose modeling and assessments

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

    The Oak Ridge Institute for Science and Education (ORISE) offers dose modeling and assessment services to demonstrate that federal andor state regulatory compliance requirements...

  8. TEPP Model Needs Assessment Document

    Broader source: Energy.gov [DOE]

    The purpose of this Model Needs Assessment is to assist state, tribal, or local officials in determining emergency responder readiness for response to a transportation accident  involving...

  9. Decision Impact Assessment Model

    Energy Science and Technology Software Center (OSTI)

    1991-08-01

    DIAMOND represents the decision-making environment that utility planners and executives face. Users interact with the model after every year or two of simulation, which provides an opportunity to modify past decisions as well as to make new decisions. For example, construction of a power plant can be started one year, and if circumstances change, the plant can be accelerated, mothballed, cancelled, or continued as originally planned. Similarly, the marketing and financial incentives for demand-side managementmore » programs can be changed from year to year. This frequent user interaction with the model, an operational game, should build greater understanding and insights among utility planners about the risks associated with different types of resources.« less

  10. Mathematical models for risk assessment

    SciTech Connect (OSTI)

    Zaikin, S.A.

    1995-12-01

    The use of mathematical models in risk assessment results in the proper understanding of many aspects of chemical exposure and allows to make more actual decisions. Our project ISCRA (Integrated Systems of Complex Risk Assessment) has the aim to create integrated systems of algorythms for prediction of pollutants` exposure on human and environmental health and to apply them for environmental monitoring, and decision-making. Mathematical model {open_quotes}MASTER{close_quotes} (Mathematical Algorythm of SimulaTion of Environmental Risk) represents the complex of algorythmical blocks and is intended for the prediction of danger of pollutants` exposure for human and environmental risk. Model LIMES (LIMits EStimation) is developed for prognosis of safety concentrations of pollutants in the environment both in the case of isolated exposure and in the case of complex exposure for concrete location. Model QUANT (QUANtity of Toxicant) represents the multicompartmental physiological pharmacokinetic model describing absorption, distribution, fate, metabolism, and elimination of pollutants in the body of different groups of human population, as a result of the different kind of exposure. Decision support system CLEVER (Complex LEVE1 of Risk) predicts the probability and the degree of development of unfavourable effects as result of exposure of pollutant on human health. System is based on the data of epidemiological and experimental researches and includes several mathematical models for analysis of {open_quotes}dose-time-response{close_quotes} relations and information about clinical symptoms of diseases. Model CEP (Combination Effect Prognosis) contains probabilistic algorythms for forecasting the effect of simultaneous impact of several factors polluting the environment. The result of the program work is the prediction of an independent exposure of two or more factors, and intensification or weakening of exposure in depending on factors` interactions.

  11. An Improved MUSIC Model for Gibbsite Surfaces

    SciTech Connect (OSTI)

    Mitchell, Scott C.; Bickmore, Barry R.; Tadanier, Christopher J.; Rosso, Kevin M.

    2004-06-01

    Here we use gibbsite as a model system with which to test a recently published, bond-valence method for predicting intrinsic pKa values for surface functional groups on oxides. At issue is whether the method is adequate when valence parameters for the functional groups are derived from ab initio structure optimization of surfaces terminated by vacuum. If not, ab initio molecular dynamics (AIMD) simulations of solvated surfaces (which are much more computationally expensive) will have to be used. To do this, we had to evaluate extant gibbsite potentiometric titration data that where some estimate of edge and basal surface area was available. Applying BET and recently developed atomic force microscopy methods, we found that most of these data sets were flawed, in that their surface area estimates were probably wrong. Similarly, there may have been problems with many of the titration procedures. However, one data set was adequate on both counts, and we applied our method of surface pKa int prediction to fitting a MUSIC model to this data with considerable successseveral features of the titration data were predicted well. However, the model fit was certainly not perfect, and we experienced some difficulties optimizing highly charged, vacuum-terminated surfaces. Therefore, we conclude that we probably need to do AIMD simulations of solvated surfaces to adequately predict intrinsic pKa values for surface functional groups.

  12. Utility of Social Modeling for Proliferation Assessment - Preliminary Assessment

    SciTech Connect (OSTI)

    Coles, Garill A.; Gastelum, Zoe N.; Brothers, Alan J.; Thompson, Sandra E.

    2009-06-01

    This Preliminary Assessment draft report will present the results of a literature search and preliminary assessment of the body of research, analysis methods, models and data deemed to be relevant to the Utility of Social Modeling for Proliferation Assessment research. This report will provide: 1) a description of the problem space and the kinds of information pertinent to the problem space, 2) a discussion of key relevant or representative literature, 3) a discussion of models and modeling approaches judged to be potentially useful to the research, and 4) the next steps of this research that will be pursued based on this preliminary assessment. This draft report represents a technical deliverable for the NA-22 Simulations, Algorithms, and Modeling (SAM) program. Specifically this draft report is the Task 1 deliverable for project PL09-UtilSocial-PD06, Utility of Social Modeling for Proliferation Assessment. This project investigates non-traditional use of social and cultural information to improve nuclear proliferation assessment, including nonproliferation assessment, proliferation resistance assessments, safeguards assessments and other related studies. These assessments often use and create technical information about the State’s posture towards proliferation, the vulnerability of a nuclear energy system to an undesired event, and the effectiveness of safeguards. This project will find and fuse social and technical information by explicitly considering the role of cultural, social and behavioral factors relevant to proliferation. The aim of this research is to describe and demonstrate if and how social science modeling has utility in proliferation assessment.

  13. TEPP Planning Products Model Needs Assessment Self Assessment Document

    Office of Environmental Management (EM)

    Planning Products Model Needs Assessment Self Assessment Document Prepared for the Department of Energy Office of Transportation and Emergency Management 02B00215-13.p65 1 Model Needs Assessment R E V 8 - 0 7 / 2 0 1 2 T r a n s p o r t a t i o n E m e r g e n c y P r e p a r e d n e s s P r o g r a m PURPOSE The purpose of this Model Needs Assessment is to assist state, tribal, or local officials in determining emergency responder readiness for response to a transportation accident involving

  14. Model Fire Protection Assessment Guide

    Office of Energy Efficiency and Renewable Energy (EERE)

    This Assessment guide covers the implementation of the DOE's responsibility of assuring that DOE and the DOE Contractors have established Fire Protection Programs that are at the level required for the area being assessed.

  15. Interactive Rapid Dose Assessment Model.

    Energy Science and Technology Software Center (OSTI)

    1988-10-31

    IRDAM is a micro-computer based program for rapidly assessing the radiological impact of an accident at a nuclear power plant. The code packaged October 1988 is Version 3.

  16. Assessment of Molecular Modeling & Simulation

    SciTech Connect (OSTI)

    2002-01-03

    This report reviews the development and applications of molecular and materials modeling in Europe and Japan in comparison to those in the United States. Topics covered include computational quantum chemistry, molecular simulations by molecular dynamics and Monte Carlo methods, mesoscale modeling of material domains, molecular-structure/macroscale property correlations like QSARs and QSPRs, and related information technologies like informatics and special-purpose molecular-modeling computers. The panel's findings include the following: The United States leads this field in many scientific areas. However, Canada has particular strengths in DFT methods and homogeneous catalysis; Europe in heterogeneous catalysis, mesoscale, and materials modeling; and Japan in materials modeling and special-purpose computing. Major government-industry initiatives are underway in Europe and Japan, notably in multi-scale materials modeling and in development of chemistry-capable ab-initio molecular dynamics codes.

  17. Modeling electron emission and surface effects from diamond cathodes...

    Office of Scientific and Technical Information (OSTI)

    and surface effects from diamond cathodes Citation Details In-Document Search Title: Modeling electron emission and surface effects from diamond cathodes Authors: Dimitrov D. ...

  18. Minority Utility Rate Design Assessment Model

    Energy Science and Technology Software Center (OSTI)

    2003-01-20

    Econometric model simulates consumer demand response to various user-supplied, two-part tariff electricity rate designs and assesses their economic welfare impact on black, hispanic, poor and majority households.

  19. Model-based safety assessments

    SciTech Connect (OSTI)

    Carlson, D.D.; Jones, T.R.

    1998-04-01

    Sandia National Laboratories performs systems analysis of high risk, high consequence systems. In particular, Sandia is responsible for the engineering of nuclear weapons, exclusive of the explosive physics package. In meeting this responsibility, Sandia has developed fundamental approaches to safety and a process for evaluating safety based on modeling and simulation. These approaches provide confidence in the safety of our nuclear weapons. Similar concepts may be applied to improve the safety of other high consequence systems.

  20. Modeling Tritium on Metal Surfaces | Department of Energy

    Office of Environmental Management (EM)

    Tritium on Metal Surfaces Modeling Tritium on Metal Surfaces Presentation from the 36th Tritium Focus Group Meeting held in Los Alamos, New Mexico, November 3-5, 2015. Modeling Tritium on Metal Surfaces (6.14 MB) More Documents & Publications Tritium on Metal Surfaces DOE-HDBK-1079-94 Overview of tritium activity in Japan

  1. Appendix MASS: Performance Assessment Modeling Assumptions

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

    Appendix MASS-2014 Performance Assessment Modeling Assumptions United States Department of Energy Waste Isolation Pilot Plant Carlsbad Field Office Carlsbad, New Mexico Compliance Recertification Application 2014 Appendix MASS Table of Contents MASS-1.0 Introduction MASS-2.0 Summary of Changes in Performance Assessment MASS-2.1 FEPs Assessment MASS-2.2 Monitoring MASS-2.3 Experimental Activities MASS-2.3.1 Steel Corrosion Investigations MASS-2.3.2 Waste Shear Strength Investigations MASS-2.3.3

  2. Overview of HyRAM (Hydrogen Risk Assessment Models) Software...

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

    HyRAM (Hydrogen Risk Assessment Models) Software for Science-Based Safety, Codes, and Standards Webinar Overview of HyRAM (Hydrogen Risk Assessment Models) Software for ...

  3. Analysis of Wind Turbine Simulation Models: Assessment of Simplified...

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

    Analysis of Wind Turbine Simulation Models: Assessment of Simplified versus Complete ... Spain, September 10-12, 2015 ANALYSIS OF WIND TURBINE SIMULATION MODELS: ASSESSMENT OF ...

  4. MODARIA: Modelling and Data for Radiological Impact Assessment...

    Office of Environmental Management (EM)

    MODARIA: Modelling and Data for Radiological Impact Assessment Context and Overview MODARIA: Modelling and Data for Radiological Impact Assessment Context and Overview Presentation...

  5. Financial and Cost Assessment Model (FICAM) | Open Energy Information

    Open Energy Info (EERE)

    and Cost Assessment Model (FICAM) Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Financial and Cost Assessment Model (FICAM) AgencyCompany Organization: UNEP-Risoe...

  6. Cumulative hydrologic impact assessments on surface-water in northeastern Wyoming using HEC-1; a pilot study

    SciTech Connect (OSTI)

    Anderson, A.J.; Eastwood, D.C.; Anderson, M.E.

    1997-12-31

    The Surface Mining Control and Reclamation Act of 1977 requires that areas in which multiple mines will affect one watershed be analyzed and the cumulative impacts of all mining on the watershed be assessed. The purpose of the subject study was to conduct a cumulative hydrologic impact assessment (CHIA) for surface-water on a watershed in northeastern Wyoming that is currently being impacted by three mines. An assessment of the mining impact`s affect on the total discharge of the watershed is required to determine whether or not material damage to downstream water rights is likely to occur as a result of surface mining and reclamation. The surface-water model HEC-1 was used to model four separate rainfall-runoff events that occurred in the study basin over three years (1978-1980). Although these storms were used to represent pre-mining conditions, they occurred during the early stages of mining and the models were adjusted accordingly. The events were selected for completeness of record and antecedent moisture conditions (AMC). Models were calibrated to the study events and model inputs were altered to reflect post-mining conditions. The same events were then analyzed with the new model inputs. The results were compared with the pre-mining calibration. Peak flow, total discharge and timing of flows were compared for pre-mining and post-mining models. Data were turned over to the State of Wyoming for assessment of whether material damage to downstream water rights is likely to occur.

  7. Modeling of ESD events from polymeric surfaces (Technical Report...

    Office of Scientific and Technical Information (OSTI)

    Transient electrostatic discharge (ESD) events are studied to assemble a predictive model of discharge from polymer surfaces. An analog circuit simulation is produced and its ...

  8. Hydrogen Risk Assessment Model (HyRAM)

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

    Risk Assessment Model (HyRAM) - 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 Nuclear Energy Defense Waste Management Programs

  9. Surface Deformation from Satellite Data and Geothermal Assessment...

    Open Energy Info (EERE)

    Deformation from Satellite Data and Geothermal Assessment, Exploration and Mitigation in Imperial Valley Jump to: navigation, search OpenEI Reference LibraryAdd to library Web...

  10. Model for assessing bronchial mucus transport

    SciTech Connect (OSTI)

    Agnew, J.E.; Bateman, J.R.M.; Pavia, D.; Clarke, S.W.

    1984-02-01

    The authors propose a scheme for the assessment of regional mucus transport using inhaled Tc-99m aerosol particles and quantitative analysis of serial gamma-camera images. The model treats input to inner and intermediate lung regions as the total of initial deposition there plus subsequent transport into these regions from more peripheral airways. It allows for interregional differences in the proportion of particles deposited on the mucus-bearing conducting airways, and does not require a gamma image 24 hr after particle inhalation. Instead, distribution of particles reaching the respiratory bronchioles or alveoli is determined from a Kr-81m ventilation image, while the total amount of such deposition is obtained from 24-hr Tc-99m retention measured with a sensitive counter system. The model is applicable to transport by mucociliary action or by cough, and has been tested in ten normal and ten asthmatic subjects.

  11. 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.

  12. Risk assessment compatible fire models (RACFMs)

    SciTech Connect (OSTI)

    Lopez, A.R.; Gritzo, L.A.; Sherman, M.P.

    1998-07-01

    A suite of Probabilistic Risk Assessment Compatible Fire Models (RACFMs) has been developed to represent the hazard posed by a pool fire to weapon systems transported on the B52-H aircraft. These models represent both stand-off (i.e., the weapon system is outside of the flame zone but exposed to the radiant heat load from fire) and fully-engulfing scenarios (i.e., the object is fully covered by flames). The approach taken in developing the RACFMs for both scenarios was to consolidate, reconcile, and apply data and knowledge from all available resources including: data and correlations from the literature, data from an extensive full-scale fire test program at the Naval Air Warfare Center (NAWC) at China Lake, and results from a fire field model (VULCAN). In the past, a single, effective temperature, T{sub f}, was used to represent the fire. The heat flux to an object exposed to a fire was estimated using the relationship for black body radiation, {sigma}T{sub f}{sup 4}. Significant improvements have been made by employing the present approach which accounts for the presence of temperature distributions in fully-engulfing fires, and uses best available correlations to estimate heat fluxes in stand-off scenarios.

  13. Performance model assessment for multi-junction concentrating photovoltaic systems.

    SciTech Connect (OSTI)

    Riley, Daniel M.; McConnell, Robert.; Sahm, Aaron; Crawford, Clark; King, David L.; Cameron, Christopher P.; Foresi, James S.

    2010-03-01

    Four approaches to modeling multi-junction concentrating photovoltaic system performance are assessed by comparing modeled performance to measured performance. Measured weather, irradiance, and system performance data were collected on two systems over a one month period. Residual analysis is used to assess the models and to identify opportunities for model improvement.

  14. Hydrogen Risk Assessment Model (HyRAM)

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

    Energy Storage Components and Systems Batteries Electric Drive Systems Hydrogen Materials & Components Compatibility Hydrogen Behavior Quantitative Risk Assessment Technical ...

  15. Modeling of gun barrel surface erosion: Historic perspective

    SciTech Connect (OSTI)

    Buckingham, A.C.

    1996-08-01

    Results and interpretations of numerical simulations of some dominant processes influencing gun barrel propellant combustion and flow-induced erosion are presented. Results include modeled influences of erosion reduction techniques such as solid additives, vapor phase chemical modifications, and alteration of surface solid composition through use of thin coatings. Precedents and historical perspective are provided with predictions from traditional interior ballistics compared to computer simulations. Accelerating reactive combustion flow, multiphase and multicomponent transport, flow-to-surface thermal/momentum/phase change/gas-surface chemical exchanges, surface and micro-depth subsurface heating/stress/composition evolution and their roles in inducing surface cracking, spall, ablation, melting, and vaporization are considered. Recognition is given to cyclic effects of previous firing history on material preconditioning. Current perspective and outlook for future are based on results of a US Army-LLNL erosion research program covering 7 y in late 1970s. This is supplemented by more recent research on hypervelocity electromagnetic projectile launchers.

  16. Modeling surface backgrounds from radon progeny plate-out

    SciTech Connect (OSTI)

    Perumpilly, G.; Guiseppe, V. E.; Snyder, N. [University of South Dakota, Vermillion, South Dakota 57069 (United States)] [University of South Dakota, Vermillion, South Dakota 57069 (United States)

    2013-08-08

    The next generation low-background detectors operating deep underground aim for unprecedented low levels of radioactive backgrounds. The surface deposition and subsequent implantation of radon progeny in detector materials will be a source of energetic background events. We investigate Monte Carlo and model-based simulations to understand the surface implantation profile of radon progeny. Depending on the material and region of interest of a rare event search, these partial energy depositions can be problematic. Motivated by the use of Ge crystals for the detection of neutrinoless double-beta decay, we wish to understand the detector response of surface backgrounds from radon progeny. We look at the simulation of surface decays using a validated implantation distribution based on nuclear recoils and a realistic surface texture. Results of the simulations and measured ? spectra are presented.

  17. Quantifying the impacts of land surface schemes and dynamic vegetation on the model dependency of projected changes in surface energy and water budgets

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

    Yu, Miao; Wang, Guiling; Chen, Haishan

    2016-03-01

    Assessing and quantifying the uncertainties in projected future changes of energy and water budgets over land surface are important steps toward improving our confidence in climate change projections. In our study, the contribution of land surface models to the inter-GCM variation of projected future changes in land surface energy and water fluxes are assessed based on output from 19 global climate models (GCMs) and offline Community Land Model version 4 (CLM4) simulations driven by meteorological forcing from the 19 GCMs. Similar offline simulations using CLM4 with its dynamic vegetation submodel are also conducted to investigate how dynamic vegetation feedback, amore » process that is being added to more earth system models, may amplify or moderate the intermodel variations of projected future changes. Projected changes are quantified as the difference between the 2081–2100 period from the Representative Concentration Pathway 8.5 (RCP8.5) future experiment and the 1981–2000 period from the historical simulation. Under RCP8.5, projected changes in surface water and heat fluxes show a high degree of model dependency across the globe. Although precipitation is very likely to increase in the high latitudes of the Northern Hemisphere, a high degree of model-related uncertainty exists for evapotranspiration, soil water content, and surface runoff, suggesting discrepancy among land surface models (LSMs) in simulating the surface hydrological processes and snow-related processes. Large model-related uncertainties for the surface water budget also exist in the Tropics including southeastern South America and Central Africa. Moreover, these uncertainties would be reduced in the hypothetical scenario of a single near-perfect land surface model being used across all GCMs, suggesting the potential to reduce uncertainties through the use of more consistent approaches toward land surface model development. Under such a scenario, the most significant reduction is likely to

  18. Surface photovoltage measurements and finite element modeling of SAW devices.

    SciTech Connect (OSTI)

    Donnelly, Christine

    2012-03-01

    Over the course of a Summer 2011 internship with the MEMS department of Sandia National Laboratories, work was completed on two major projects. The first and main project of the summer involved taking surface photovoltage measurements for silicon samples, and using these measurements to determine surface recombination velocities and minority carrier diffusion lengths of the materials. The SPV method was used to fill gaps in the knowledge of material parameters that had not been determined successfully by other characterization methods. The second project involved creating a 2D finite element model of a surface acoustic wave device. A basic form of the model with the expected impedance response curve was completed, and the model is ready to be further developed for analysis of MEMS photonic resonator devices.

  19. Modeling electron emission and surface effects from diamond cathodes

    SciTech Connect (OSTI)

    Dimitrov, D. A.; Smithe, D.; Cary, J. R.; Ben-Zvi, I.; Rao, T.; Smedley, J.; Wang, E.

    2015-02-05

    We developed modeling capabilities, within the Vorpal particle-in-cell code, for three-dimensional (3D) simulations of surface effects and electron emission from semiconductor photocathodes. They include calculation of emission probabilities using general, piece-wise continuous, space-time dependent surface potentials, effective mass and band bending field effects. We applied these models, in combination with previously implemented capabilities for modeling charge generation and transport in diamond, to investigate the emission dependence on applied electric field in the range from approximately 2 MV/m to 17 MV/m along the [100] direction. The simulation results were compared to experimental data. For the considered parameter regime, conservation of transverse electron momentum (in the plane of the emission surface) allows direct emission from only two (parallel to [100]) of the six equivalent lowest conduction band valleys. When the electron affinity χ is the only parameter varied in the simulations, the value χ = 0.31 eV leads to overall qualitative agreement with the probability of emission deduced from experiments. Including band bending in the simulations improves the agreement with the experimental data, particularly at low applied fields, but not significantly. In this study, using surface potentials with different profiles further allows us to investigate the emission as a function of potential barrier height, width, and vacuum level position. However, adding surface patches with different levels of hydrogenation, modeled with position-dependent electron affinity, leads to the closest agreement with the experimental data.

  20. Modeling electron emission and surface effects from diamond cathodes

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

    Dimitrov, D. A.; Smithe, D.; Cary, J. R.; Ben-Zvi, I.; Rao, T.; Smedley, J.; Wang, E.

    2015-02-05

    We developed modeling capabilities, within the Vorpal particle-in-cell code, for three-dimensional (3D) simulations of surface effects and electron emission from semiconductor photocathodes. They include calculation of emission probabilities using general, piece-wise continuous, space-time dependent surface potentials, effective mass and band bending field effects. We applied these models, in combination with previously implemented capabilities for modeling charge generation and transport in diamond, to investigate the emission dependence on applied electric field in the range from approximately 2 MV/m to 17 MV/m along the [100] direction. The simulation results were compared to experimental data. For the considered parameter regime, conservation of transversemore » electron momentum (in the plane of the emission surface) allows direct emission from only two (parallel to [100]) of the six equivalent lowest conduction band valleys. When the electron affinity χ is the only parameter varied in the simulations, the value χ = 0.31 eV leads to overall qualitative agreement with the probability of emission deduced from experiments. Including band bending in the simulations improves the agreement with the experimental data, particularly at low applied fields, but not significantly. In this study, using surface potentials with different profiles further allows us to investigate the emission as a function of potential barrier height, width, and vacuum level position. However, adding surface patches with different levels of hydrogenation, modeled with position-dependent electron affinity, leads to the closest agreement with the experimental data.« less

  1. Model of evolution of surface grain structure under ion bombardment

    SciTech Connect (OSTI)

    Knyazeva, Anna G.; Kryukova, Olga N.

    2014-11-14

    Diffusion and chemical reactions in multicomponent systems play an important role in numerous technology applications. For example, surface treatment of materials and coatings by particle beam leads to chemical composition and grain structure change. To investigate the thermal-diffusion and chemical processes affecting the evolution of surface structure, the mathematical modeling is efficient addition to experiment. In this paper two-dimensional model is discussed to describe the evolution of titanium nitride coating on the iron substrate under implantation of boron and carbon. The equation for diffusion fluxes and reaction rate are obtained using Gibbs energy expansion into series with respect to concentration and their gradients.

  2. Assessing the relative influence of surface soil moisture and ENSO SST on precipitation predictability over the contiguous United States

    SciTech Connect (OSTI)

    Yoon, Jin-Ho; Leung, Lai-Yung R.

    2015-06-28

    This study assesses the relative influence of soil moisture memory and tropical sea surface temperature (SST) in seasonal rainfall over the contiguous United States. Using observed precipitation, the NINO3.4 index and soil moisture and evapotranspiration simulated by a land surface model for 61 years, analysis was performed using partial correlations to evaluate to what extent land surface and SST anomaly of El Niño and Southern Oscillation (ENSO) can affect seasonal precipitation over different regions and seasons. Results show that antecedent soil moisture is as important as concurrent ENSO condition in controlling rainfall anomalies over the U.S., but they generally dominate in different seasons with SST providing more predictability during winter while soil moisture, through its linkages to evapotranspiration and snow water, has larger influence in spring and early summer. The proposed methodology is applicable to climate model outputs to evaluate the intensity of land-atmosphere coupling and its relative importance.

  3. Wetting and free surface flow modeling for potting and encapsulation.

    SciTech Connect (OSTI)

    Brooks, Carlton, F.; Brooks, Michael J.; Graham, Alan Lyman; Noble, David F. ); Notz, Patrick K.; Hopkins, Matthew Morgan; Castaneda, Jaime N.; Mahoney, Leo James; Baer, Thomas A.; Berchtold, Kathryn; Adolf, Douglas Brian; Wilkes, Edward Dean; Rao, Rekha Ranjana; Givler, Richard C.; Sun, Amy Cha-Tien; Cote, Raymond O.; Mondy, Lisa Ann; Grillet, Anne Mary; Kraynik, Andrew Michael

    2007-06-01

    As part of an effort to reduce costs and improve quality control in encapsulation and potting processes the Technology Initiative Project ''Defect Free Manufacturing and Assembly'' has completed a computational modeling study of flows representative of those seen in these processes. Flow solutions are obtained using a coupled, finite-element-based, numerical method based on the GOMA/ARIA suite of Sandia flow solvers. The evolution of the free surface is solved with an advanced level set algorithm. This approach incorporates novel methods for representing surface tension and wetting forces that affect the evolution of the free surface. In addition, two commercially available codes, ProCAST and MOLDFLOW, are also used on geometries representing encapsulation processes at the Kansas City Plant. Visual observations of the flow in several geometries are recorded in the laboratory and compared to the models. Wetting properties for the materials in these experiments are measured using a unique flowthrough goniometer.

  4. Quality Assurance for Performance Assessment Modeling

    Office of Energy Efficiency and Renewable Energy (EERE)

    Presentation from the 2015 Annual Performance and Risk Assessment (P&RA) Community of Practice (CoP) Technical Exchange Meeting held in Richland, Washington on December 15-16, 2015.

  5. Assessment of PWR waterside corrosion models and data. Final report

    SciTech Connect (OSTI)

    Cox, B.

    1985-10-01

    The published data on waterside corrosion of PWR fuel cladding and unfuelled components have been reviewed, and the models used to assess the data have been studied. All corrosion models use too simplified a view of the corrosion process to obtain other than a general trend for the actual oxidation data. The in-reactor post-transition oxidation of the Zircaloys appears to be heavily dependent on water chemistry variations both between reactors, and along the length of an individual fuel rod. Crud deposition may be one primary cause of this, perhaps by allowing the independent development of the water chemistry within the crud layer, as much as by its effect on cladding surface temperatures. However, the effect of the thickening of the oxide film, which permits the development of an independent water chemistry inside the oxide, leading to an accelerating oxidation rate at large oxide thicknesses, seems to be the most important factor. It is concluded that a spectrum of results ranging from essentially no in-reactor enhancement of the oxidation rate to a sizeable enhancement (>10) may be seen depending upon the thickness of the oxide films, the water chemistry of the reactor, and crud deposition. A post-irradiation test that may help to distinguish between the factors involved has been suggested. 105 refs., 38 figs.

  6. Assessing the impacts of the Surface Mining Control and Reclamation Act

    SciTech Connect (OSTI)

    Desai, U.

    1989-01-01

    Even a dozen years since the passage of the Surface Mining Control and Reclamation Act (SMCRA) there is little agreement on how well it has worked. The paper attempts to assess the impacts of SMCRA in six major surface coal producing states. Although it is not possible to make an unqualified overall national assessment, the evidence presented in the paper indicates that in many (but by no means all) cases, surface coal mining is now carried out in environmentally less destructive ways then before the Act. However, the accomplishments have fallen far short of expectations. The situation in some states has gotten worse than before the Act. Overall, the impact of the Act on the ground has been mixed and has depended on the rigor with which the Act has been implemented in individual coal states.

  7. Lithospheric Thickness Modeled from Long Period Surface Wave Dispersion

    SciTech Connect (OSTI)

    Pasyanos, M E

    2008-05-15

    The behavior of surface waves at long periods is indicative of subcrustal velocity structure. Using recently published dispersion models, we invert surface wave group velocities for lithospheric structure, including lithospheric thickness, over much of the Eastern Hemisphere, encompassing Eurasia, Africa, and the Indian Ocean. Thicker lithosphere under Precambrian shields and platforms are clearly observed, not only under the large cratons (West Africa, Congo, Baltic, Russia, Siberia, India), but also under smaller blocks like the Tarim Basin and Yangtze craton. In contrast, it is found that remobilized Precambrian structures like the Saharan Shield and Sino-Korean Paraplatform do not have well-established lithospheric keels. The thinnest lithospheric thickness is found under oceanic and continental rifts, as well as along convergence zones. We compare our results to thermal models of continental lithosphere, lithospheric cooling models of oceanic lithosphere, lithosphere-asthenosphere boundary (LAB) estimates from S-wave receiver functions, and velocity variations of global tomography models. In addition to comparing results for the broad region, we examine in detail the regions of Central Africa, Siberia, and Tibet. While there are clear differences in the various estimates, overall the results are generally consistent. Inconsistencies between the estimates may be due to a variety of reasons including lateral and depth resolution differences and the comparison of what may be different lithospheric features.

  8. Performance model assessment for multi-junction concentrating photovoltaic systems.

    SciTech Connect (OSTI)

    Stein, Joshua S.; Riley, Daniel M.; McConnell, Robert.; Sahm, Aaron; Crawford, Clark; King, David L.; Cameron, Christopher P.; Foresi, James S.

    2010-03-01

    Four approaches to modeling multi-junction concentrating photovoltaic system performance are assessed by comparing modeled performance to measured performance. Measured weather, irradiance, and system performance data were collected on two systems over a one month period. Residual analysis is used to assess the models and to identify opportunities for model improvement. Large photovoltaic systems are typically developed as projects which supply electricity to a utility and are owned by independent power producers. Obtaining financing at favorable rates and attracting investors requires confidence in the projected energy yield from the plant. In this paper, various performance models for projecting annual energy yield from Concentrating Photovoltaic (CPV) systems are assessed by comparing measured system output to model predictions based on measured weather and irradiance data. The results are statistically analyzed to identify systematic error sources.

  9. Using a Simple Binomial Model to Assess Improvement in Predictive

    Office of Scientific and Technical Information (OSTI)

    Capability: Sequential Bayesian Inference, Hypothesis Testing, and Power Analysis (Technical Report) | SciTech Connect Technical Report: Using a Simple Binomial Model to Assess Improvement in Predictive Capability: Sequential Bayesian Inference, Hypothesis Testing, and Power Analysis Citation Details In-Document Search Title: Using a Simple Binomial Model to Assess Improvement in Predictive Capability: Sequential Bayesian Inference, Hypothesis Testing, and Power Analysis We present a

  10. Model assessment of protective barrier designs

    SciTech Connect (OSTI)

    Fayer, M.J.; Conbere, W.; Heller, P.R.; Gee, G.W.

    1985-11-01

    A protective barrier is being considered for use at the Hanford site to enhance the isolation of previously disposed radioactive wastes from infiltrating water, and plant and animal intrusion. This study is part of a research and development effort to design barriers and evaluate their performance in preventing drainage. A fine-textured soil (the Composite) was located on the Hanford site in sufficient quantity for use as the top layer of the protective barrier. A number of simulations were performed by Pacific Northwest Laboratory to analyze different designs of the barrier using the Composite soil as well as the finer-textured Ritzville silt loam and a slightly coarser soil (Coarse). Design variations included two rainfall rates (16.0 and 30.1 cm/y), the presence of plants, gravel mixed into the surface of the topsoil, an impermeable boundary under the topsoil, and moving the waste form from 10 to 20 m from the barrier edge. The final decision to use barriers for enhanced isolation of previously disposed wastes will be subject to decisions resulting from the completion of the Hanford Defense Waste Environmental Impact Statement, which addresses disposal of Hanford defense high-level and transuranic wastes. The one-dimensional simulation results indicate that each of the three soils, when used as the top layer of the protective barrier, can prevent drainage provided plants are present. Gravel amendments to the upper 30 cm of soil (without plants) reduced evaporation and allowed more water to drain.

  11. Subjective surfaces: a geometric model for boundary completion

    SciTech Connect (OSTI)

    Sarti, Alessandro; Malladi, Ravi; Sethian, J.A.

    2000-06-01

    We present a geometric model and a computational method for segmentation of images with missing boundaries. In many situations, the human visual system fills in missing gaps in edges and boundaries, building and completing information that is not present. Boundary completion presents a considerable challenge in computer vision, since most algorithms attempt to exploit existing data. A large body of work concerns completion models, which postulate how to construct missing data; these models are often trained and specific to particular images. In this paper, we take the following, alternative perspective: we consider a reference point within an image as given, and then develop an algorithm which tries to build missing information on the basis of the given point of view and the available information as boundary data to the algorithm. Starting from this point of view, a surface is constructed. It is then evolved with the mean curvature flow in the metric induced by the image until a piecewise constant solution is reached. We test the computational model on modal completion, amodal completion, texture, photo and medical images. We extend the geometric model and the algorithm to 3D in order to extract shapes from low signal/noise ratio medical volumes. Results in 3D echocardiography and 3D fetal echography are presented.

  12. Utility of Social Modeling for Proliferation Assessment - Preliminary Findings

    SciTech Connect (OSTI)

    Coles, Garill A.; Gastelum, Zoe N.; Brothers, Alan J.; Thompson, Sandra E.

    2009-07-16

    Often the methodologies for assessing proliferation risk are focused around the inherent vulnerability of nuclear energy systems and associated safeguards. For example an accepted approach involves ways to measure the intrinsic and extrinsic barriers to potential proliferation. This paper describes preliminary investigation into non-traditional use of social and cultural information to improve proliferation assessment and advance the approach to assessing nuclear material diversion. Proliferation resistance assessment, safeguard assessments and related studies typically create technical information about the vulnerability of a nuclear energy system to diversion of nuclear material. The purpose of this research project is to find ways to integrate social information with technical information by explicitly considering the role of culture, groups and/or individuals to factors that impact the possibility of proliferation. When final, this work is expected to describe and demonstrate the utility of social science modeling in proliferation and proliferation risk assessments.

  13. A Population Health Model for Integrated Assessment Models

    SciTech Connect (OSTI)

    Pitcher, Hugh M.; Ebi, Kristie L.; Brenkert, Antoinette L.

    2008-05-01

    This paper presents the initial results of a project to develop a population health model so we can extend the scenarios included in the IPCC's Special Report on Emissions Scenarios to include population health status.

  14. Physical Stability of Long-Term Surface Barriers-Assessment of Potentially Disruptive Natural Events

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

    ] a -" m HI BHI-00145 Rev. 00 Physical Stability of Long-Term Surface Barriers - Assessment of Potentially Disruptive Natural Events Authors N. R. Wing IT Hanford, Inc. F. M. Corpuz Bechtel Hanford, Inc. K. L. Petersen Pacific Northwest Laboratoy A. M. Tallman Westinghouse Hanford Company Date Published May 1995 HANFORD Prepared for the U.S. Department of Energy Office of Environmental Restoration and Waste Management Bechtel Hanford, Inc. Flichland, Washington Approved for Public Release .

  15. An introduction to the COALTOWN impact assessment model. Staff report

    SciTech Connect (OSTI)

    Bender, L.D.; Temple, G.S.; Parcels, L.C.

    1980-04-01

    The report is a layman's description of the COALTOWN simulation model. COALTOWN simulates future employment, population, wages, migration, state and local tax receipts and intergovernmental transfers, and local government expenditures for counties in Montana, Wyoming, and North Dakota. It is designed to assess impacts of energy projects. Input data and output formats and uses of the model are described. The predictive accuracy of the estimated equations and the model limitations and shortcomings are cited.

  16. Assessment of Combustion and Turbulence Models for the Simulation of

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

    Combustion Processes in a DI Diesel Engine | Department of Energy Combustion and Turbulence Models for the Simulation of Combustion Processes in a DI Diesel Engine Assessment of Combustion and Turbulence Models for the Simulation of Combustion Processes in a DI Diesel Engine Various applied combustion and turbulence models were investigated along with chemical kinetic mechanisms simulating a biodiesel-fueled engine deer09_ren.pdf (497.22 KB) More Documents & Publications Low Temperature

  17. Economic assessment model architecture for AGC/AVLIS selection

    SciTech Connect (OSTI)

    Hoglund, R.L.

    1984-05-24

    The economic assessment model architecture described provides the flexibility and completeness in economic analysis that the selection between AGC and AVLIS demands. Process models which are technology-specific will provide the first-order responses of process performance and cost to variations in process parameters. The economics models can be used to test the impacts of alternative deployment scenarios for a technology. Enterprise models provide global figures of merit for evaluating the DOE perspective on the uranium enrichment enterprise, and business analysis models compute the financial parameters from the private investor's viewpoint.

  18. An advective atmospheric mixed layer model for ocean modeling purposes: Global simulation of surface heat fluxes

    SciTech Connect (OSTI)

    Seager, jR., Benno Blumenthal, M.; Kushnir, Y.

    1995-08-01

    A simple model of the lowest layer of the atmosphere is developed for coupling to ocean models used to simulate sea surface temperature (SST). The model calculates the turbulent fluxes of sensible and latent heat in terms of variables that an ocean model either calculates (SST) or is forced by (winds). It is designed to avoid the need to specify observed atmospheric data (other than surface winds), or the SST, in the surface flux calculations of ocean models and, hence, to allow a realistic representation of the feedbacks between SST and the fluxes. The modeled layer is considered to be either a dry convective layer or the subcloud layer that underlies marine clouds. The turbulent fluxes are determined through a balance of horizontal advection and diffusion, the surface flux and the flux at the mixed layer top, and, for temperature, radiative cooling. Reasonable simulations of the global distribution of latent and sensible heat flux are obtained. This includes the large fluxes that occur east of the Northern Hemisphere continents in winter that were found to be related to both diffusion (taken to be a parameterization of baroclinic eddies) and advection of cold, dry air from the continent. However, east of North America during winter the sensible heat flux is underestimated and, generally, the region of enhanced fluxes does not extend far enough east compared to observations. Reasons for these discrepancies are discussed and remedies suggested. 47 refs., 10 figs.

  19. Replication of surface features from a master model to an amorphous metallic article

    DOE Patents [OSTI]

    Johnson, William L.; Bakke, Eric; Peker, Atakan

    1999-01-01

    The surface features of an article are replicated by preparing a master model having a preselected surface feature thereon which is to be replicated, and replicating the preselected surface feature of the master model. The replication is accomplished by providing a piece of a bulk-solidifying amorphous metallic alloy, contacting the piece of the bulk-solidifying amorphous metallic alloy to the surface of the master model at an elevated replication temperature to transfer a negative copy of the preselected surface feature of the master model to the piece, and separating the piece having the negative copy of the preselected surface feature from the master model.

  20. 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

  1. A Physically Based Runoff Routing Model for Land Surface and Earth System Models

    SciTech Connect (OSTI)

    Li, Hongyi; Wigmosta, Mark S.; Wu, Huan; Huang, Maoyi; Ke, Yinghai; Coleman, Andre M.; Leung, Lai-Yung R.

    2013-06-13

    A new physically based runoff routing model, called the Model for Scale Adaptive River Transport (MOSART), has been developed to be applicable across local, regional, and global scales. Within each spatial unit, surface runoff is first routed across hillslopes and then discharged along with subsurface runoff into a tributary subnetwork before entering the main channel. The spatial units are thus linked via routing through the main channel network, which is constructed in a scale-consistent way across different spatial resolutions. All model parameters are physically based, and only a small subset requires calibration.MOSART has been applied to the Columbia River basin at 1/ 168, 1/ 88, 1/ 48, and 1/ 28 spatial resolutions and was evaluated using naturalized or observed streamflow at a number of gauge stations. MOSART is compared to two other routing models widely used with land surface models, the River Transport Model (RTM) in the Community Land Model (CLM) and the Lohmann routing model, included as a postprocessor in the Variable Infiltration Capacity (VIC) model package, yielding consistent performance at multiple resolutions. MOSART is further evaluated using the channel velocities derived from field measurements or a hydraulic model at various locations and is shown to be capable of producing the seasonal variation and magnitude of channel velocities reasonably well at different resolutions. Moreover, the impacts of spatial resolution on model simulations are systematically examined at local and regional scales. Finally, the limitations ofMOSART and future directions for improvements are discussed.

  2. Diagnostic indicators for integrated assessment models of climate policy

    SciTech Connect (OSTI)

    Kriegler, Elmar; Petermann, Nils; Krey, Volker; Schwanitz, Jana; Luderer, Gunnar; Ashina, Shuichi; Bosetti, Valentina; Eom, Jiyong; Kitous, Alban; Mejean, Aurelie; Paroussos, Leonidas; Sano, Fuminori; Turton, Hal; Wilson, Charlie; Van Vuuren, Detlef

    2015-01-01

    Integrated assessments of how climate policy interacts with energy-economic systems can be performed by a variety of models with different functional structures. This article proposes a diagnostic scheme that can be applied to a wide range of integrated assessment models to classify differences among models based on their carbon price responses. Model diagnostics can uncover patterns and provide insights into why, under a given scenario, certain types of models behave in observed ways. Such insights are informative since model behavior can have a significant impact on projections of climate change mitigation costs and other policy-relevant information. The authors propose diagnostic indicators to characterize model responses to carbon price signals and test these in a diagnostic study with 11 global models. Indicators describe the magnitude of emission abatement and the associated costs relative to a harmonized baseline, the relative changes in carbon intensity and energy intensity and the extent of transformation in the energy system. This study shows a correlation among indicators suggesting that models can be classified into groups based on common patterns of behavior in response to carbon pricing. Such a classification can help to more easily explain variations among policy-relevant model results.

  3. Interactive Rapid Dose Assessment Model (IRDAM): reactor-accident assessment methods. Vol. 2

    SciTech Connect (OSTI)

    Poeton, R.W.; Moeller, M.P.; Laughlin, G.J.; Desrosiers, A.E.

    1983-05-01

    As part of the continuing emphasis on emergency preparedness, the US Nuclear Regulatory Commission (NRC) sponsored the development of a rapid dose assessment system by Pacific Northwest Laboratory (PNL). This system, the Interactive Rapid Dose Assessment Model (IRDAM) is a micro-computer based program for rapidly assessing the radiological impact of accidents at nuclear power plants. This document describes the technical bases for IRDAM including methods, models and assumptions used in calculations. IRDAM calculates whole body (5-cm depth) and infant thyroid doses at six fixed downwind distances between 500 and 20,000 meters. Radionuclides considered primarily consist of noble gases and radioiodines. In order to provide a rapid assessment capability consistent with the capacity of the Osborne-1 computer, certain simplifying approximations and assumptions are made. These are described, along with default values (assumptions used in the absence of specific input) in the text of this document. Two companion volumes to this one provide additional information on IRDAM. The user's Guide (NUREG/CR-3012, Volume 1) describes the setup and operation of equipment necessary to run IRDAM. Scenarios for Comparing Dose Assessment Models (NUREG/CR-3012, Volume 3) provides the results of calculations made by IRDAM and other models for specific accident scenarios.

  4. Assessing the RELAPS-3D Heat Conduction Enclosure Model

    SciTech Connect (OSTI)

    McCann, Larry D.

    2008-09-30

    Three heat conduction problems that have exact solutions are modeled with RELAP5-3D using the conduction enclosure model. These comparisons are designed to be used in the RELAP5-3D development assessment scheduled to be completed in 2009. It is shown that with proper input choices and adequate model detail the exact solutions can be matched. In addition, this analysis identified an error and the required correction in the cylindrical and spherical heat conductor models in RELAP5-3D which will be corrected in a future version of RELAP5-3D.

  5. Molecular Modeling of Diffusion on a Crystalline PETN Surface

    SciTech Connect (OSTI)

    Lin, P; Khare, R; Gee, R H; Weeks, B L

    2007-07-13

    Surface diffusion on a PETN crystal was investigated by treating the surface diffusion as an activated process in the formalism of transition state theory. In particular, surface diffusion on the (110) and (101) facets, as well as diffusion between these facets, were considered. We successfully obtained the potential energy barriers required for PETN surface diffusion. Our results show that the (110) surface is more thermally active than the (101) surface and PETN molecules mainly diffuses from the (110) to (101) facet. These results are in good agreement with experimental observations and previous simulations.

  6. Improved Formulations for Air-Surface Exchanges Related to National Security Needs: Dry Deposition Models

    SciTech Connect (OSTI)

    Droppo, James G.

    2006-07-01

    The Department of Homeland Security and others rely on results from atmospheric dispersion models for threat evaluation, event management, and post-event analyses. The ability to simulate dry deposition rates is a crucial part of our emergency preparedness capabilities. Deposited materials pose potential hazards from radioactive shine, inhalation, and ingestion pathways. A reliable characterization of these potential exposures is critical for management and mitigation of these hazards. A review of the current status of dry deposition formulations used in these atmospheric dispersion models was conducted. The formulations for dry deposition of particulate materials from am event such as a radiological attack involving a Radiological Detonation Device (RDD) is considered. The results of this effort are applicable to current emergency preparedness capabilities such as are deployed in the Interagency Modeling and Atmospheric Assessment Center (IMAAC), other similar national/regional emergency response systems, and standalone emergency response models. The review concludes that dry deposition formulations need to consider the full range of particle sizes including: 1) the accumulation mode range (0.1 to 1 micron diameter) and its minimum in deposition velocity, 2) smaller particles (less than .01 micron diameter) deposited mainly by molecular diffusion, 3) 10 to 50 micron diameter particles deposited mainly by impaction and gravitational settling, and 4) larger particles (greater than 100 micron diameter) deposited mainly by gravitational settling. The effects of the local turbulence intensity, particle characteristics, and surface element properties must also be addressed in the formulations. Specific areas for improvements in the dry deposition formulations are 1) capability of simulating near-field dry deposition patterns, 2) capability of addressing the full range of potential particle properties, 3) incorporation of particle surface retention/rebound processes, and

  7. Utilizing CLASIC observations and multiscale models to study the impact of improved Land surface representation on modeling cloud- convection

    SciTech Connect (OSTI)

    Niyogi, Devdutta S.

    2013-06-07

    The CLASIC experiment was conducted over the US southern great plains (SGP) in June 2007 with an objective to lead an enhanced understanding of the cumulus convection particularly as it relates to land surface conditions. This project was design to help assist with understanding the overall improvement of land atmosphere convection initiation representation of which is important for global and regional models. The study helped address one of the critical documented deficiency in the models central to the ARM objectives for cumulus convection initiation and particularly under summer time conditions. This project was guided by the scientific question building on the CLASIC theme questions: What is the effect of improved land surface representation on the ability of coupled models to simulate cumulus and convection initiation? The focus was on the US Southern Great Plains region. Since the CLASIC period was anomalously wet the strategy has been to use other periods and domains to develop the comparative assessment for the CLASIC data period, and to understand the mechanisms of the anomalous wet conditions on the tropical systems and convection over land. The data periods include the IHOP 2002 field experiment that was over roughly same domain as the CLASIC in the SGP, and some of the DOE funded Ameriflux datasets.

  8. Fuel cycle assessment: A compendium of models, methodologies, and approaches

    SciTech Connect (OSTI)

    Not Available

    1994-07-01

    The purpose of this document is to profile analytical tools and methods which could be used in a total fuel cycle analysis. The information in this document provides a significant step towards: (1) Characterizing the stages of the fuel cycle. (2) Identifying relevant impacts which can feasibly be evaluated quantitatively or qualitatively. (3) Identifying and reviewing other activities that have been conducted to perform a fuel cycle assessment or some component thereof. (4) Reviewing the successes/deficiencies and opportunities/constraints of previous activities. (5) Identifying methods and modeling techniques/tools that are available, tested and could be used for a fuel cycle assessment.

  9. Final Report DE-EE0005380: Assessment of Offshore Wind Farm Effects on Sea Surface, Subsurface and Airborne Electronic Systems

    SciTech Connect (OSTI)

    Ling, Hao; Hamilton, Mark F.; Bhalla, Rajan; Brown, Walter E.; Hay, Todd A.; Whitelonis, Nicholas J.; Yang, Shang-Te; Naqvi, Aale R.

    2013-09-30

    Offshore wind energy is a valuable resource that can provide a significant boost to the US renewable energy portfolio. A current constraint to the development of offshore wind farms is the potential for interference to be caused by large wind farms on existing electronic and acoustical equipment such as radar and sonar systems for surveillance, navigation and communications. The US Department of Energy funded this study as an objective assessment of possible interference to various types of equipment operating in the marine environment where offshore wind farms could be installed. The objective of this project was to conduct a baseline evaluation of electromagnetic and acoustical challenges to sea surface, subsurface and airborne electronic systems presented by offshore wind farms. To accomplish this goal, the following tasks were carried out: (1) survey electronic systems that can potentially be impacted by large offshore wind farms, and identify impact assessment studies and research and development activities both within and outside the US, (2) engage key stakeholders to identify their possible concerns and operating requirements, (3) conduct first-principle modeling on the interactions of electromagnetic signals with, and the radiation of underwater acoustic signals from, offshore wind farms to evaluate the effect of such interactions on electronic systems, and (4) provide impact assessments, recommend mitigation methods, prioritize future research directions, and disseminate project findings. This report provides a detailed description of the methodologies used to carry out the study, key findings of the study, and a list of recommendations derived based the findings.

  10. Agent Model Development for Assessing Climate-Induced Geopolitical Instability.

    SciTech Connect (OSTI)

    Boslough, Mark B.; Backus, George A.

    2005-12-01

    We present the initial stages of development of new agent-based computational methods to generate and test hypotheses about linkages between environmental change and international instability. This report summarizes the first year's effort of an originally proposed three-year Laboratory Directed Research and Development (LDRD) project. The preliminary work focused on a set of simple agent-based models and benefited from lessons learned in previous related projects and case studies of human response to climate change and environmental scarcity. Our approach was to define a qualitative model using extremely simple cellular agent models akin to Lovelock's Daisyworld and Schelling's segregation model. Such models do not require significant computing resources, and users can modify behavior rules to gain insights. One of the difficulties in agent-based modeling is finding the right balance between model simplicity and real-world representation. Our approach was to keep agent behaviors as simple as possible during the development stage (described herein) and to ground them with a realistic geospatial Earth system model in subsequent years. This work is directed toward incorporating projected climate data--including various C02 scenarios from the Intergovernmental Panel on Climate Change (IPCC) Third Assessment Report--and ultimately toward coupling a useful agent-based model to a general circulation model.3

  11. Assessing the cleanliness of surfaces: Innovative molecular approaches vs. standard spore assays

    SciTech Connect (OSTI)

    Cooper, M.; Duc, M.T. La; Probst, A.; Vaishampayan, P.; Stam, C.; Benardini, J.N.; Piceno, Y.M.; Andersen, G.L.; Venkateswaran, K.

    2011-04-01

    A bacterial spore assay and a molecular DNA microarray method were compared for their ability to assess relative cleanliness in the context of bacterial abundance and diversity on spacecraft surfaces. Colony counts derived from the NASA standard spore assay were extremely low for spacecraft surfaces. However, the PhyloChip generation 3 (G3) DNA microarray resolved the genetic signatures of a highly diverse suite of microorganisms in the very same sample set. Samples completely devoid of cultivable spores were shown to harbor the DNA of more than 100 distinct microbial phylotypes. Furthermore, samples with higher numbers of cultivable spores did not necessarily give rise to a greater microbial diversity upon analysis with the DNA microarray. The findings of this study clearly demonstrated that there is not a statistically significant correlation between the cultivable spore counts obtained from a sample and the degree of bacterial diversity present. Based on these results, it can be stated that validated state-of-the-art molecular techniques, such as DNA microarrays, can be utilized in parallel with classical culture-based methods to further describe the cleanliness of spacecraft surfaces.

  12. PORFLOW Modeling Supporting The H-Tank Farm Performance Assessment

    SciTech Connect (OSTI)

    Jordan, J. M.; Flach, G. P.; Westbrook, M. L.

    2012-08-31

    Numerical simulations of groundwater flow and contaminant transport in the vadose and saturated zones have been conducted using the PORFLOW code in support of an overall Performance Assessment (PA) of the H-Tank Farm. This report provides technical detail on selected aspects of PORFLOW model development and describes the structure of the associated electronic files. The PORFLOW models for the H-Tank Farm PA, Rev. 1 were updated with grout, solubility, and inventory changes. The aquifer model was refined. In addition, a set of flow sensitivity runs were performed to allow flow to be varied in the related probabilistic GoldSim models. The final PORFLOW concentration values are used as input into a GoldSim dose calculator.

  13. Annual report, October 1980-September 1981 Multimedia radionuclide exposure assessment modeling.

    SciTech Connect (OSTI)

    Whelan, G.; Onishi, Y.; Simmons, C.S.; Horst, T.W.; Gupta, S.K.; Orgill, M.M.; Newbill, C.A.

    1982-12-01

    Pacific Northwest Laboratory (PNL) and Los Alamos National Laboratory (LANL) are jointly developing a methodology for assessing exposures of the air, water, and plants to radionuclides as part of an overall development effort of a radionuclide disposal site evaluation methodology. Work in FY-1981 continued the development of the Multimedia Contaminant Environmental Exposure Assessment (MCEA) methodology and initiated an assessment of radionuclide migration in Los Alamos and Pueblo Canyons, New Mexico, using the methodology. The AIRTRAN model was completed, briefly tested, and documented. In addition, a literature search for existing validation data for AIRTRAN was performed. The feasibility and advisability of including the UNSAT moisture flow model as a submodel of the terrestrial code BIOTRAN was assessed. A preliminary application of the proposed MCEA methodology, as it related to the Mortandad-South Mortandad Canyon site in New Mexico is discussed. This preliminary application represented a scaled-down version of the methodology in which only the terrestrial, overland, and surface water components were used. An update describing the progress in the assessment of radionuclide migration in Los Alamos and Pueblo Canyons is presented. 38 references, 47 figures, 11 tables.

  14. Literature Review and Assessment of Plant and Animal Transfer Factors Used in Performance Assessment Modeling

    SciTech Connect (OSTI)

    Robertson, David E.; Cataldo, Dominic A.; Napier, Bruce A.; Krupka, Kenneth M.; Sasser, Lyle B.

    2003-07-20

    A literature review and assessment was conducted by Pacific Northwest National Laboratory (PNNL) to update information on plant and animal radionuclide transfer factors used in performance-assessment modeling. A group of 15 radionuclides was included in this review and assessment. The review is composed of four main sections, not including the Introduction. Section 2.0 provides a review of the critically important issue of physicochemical speciation and geochemistry of the radionuclides in natural soil-water systems as it relates to the bioavailability of the radionuclides. Section 3.0 provides an updated review of the parameters of importance in the uptake of radionuclides by plants, including root uptake via the soil-groundwater system and foliar uptake due to overhead irrigation. Section 3.0 also provides a compilation of concentration ratios (CRs) for soil-to-plant uptake for the 15 selected radionuclides. Section 4.0 provides an updated review on radionuclide uptake data for animal products related to absorption, homeostatic control, approach to equilibration, chemical and physical form, diet, and age. Compiled transfer coefficients are provided for cow’s milk, sheep’s milk, goat’s milk, beef, goat meat, pork, poultry, and eggs. Section 5.0 discusses the use of transfer coefficients in soil, plant, and animal modeling using regulatory models for evaluating radioactive waste disposal or decommissioned sites. Each section makes specific suggestions for future research in its area.

  15. Centrifuge modeling of radioactive waste migration through backfill in a near surface disposal facility

    SciTech Connect (OSTI)

    Gurumoorthy, C.; Kusakabe, O.

    2007-07-01

    Investigations on the performance of backfill barrier in Near Surface Disposal Facility (NSDF) for radioactive wastes are important to ensure the long term safety of such disposal option. Favorable condition to delay migration of radionuclides from disposed waste to far fields is diffusion process. However, advective dispersion/diffusion mechanism plays an important role due to changes in backfill over a period of time. In order to understand these mechanisms, detailed laboratory experiments are usually conducted for developing mathematical models to assess the behaviour of backfill. However, these experiments are time consuming and suffer with the limitations due to material complexity. Also, there are constraints associated with validation of theoretical predictions due to intricacy of boundary conditions as well as the time scale is quite different as compared to the time required for completion of the processes in the field. Keeping in view these aspects, centrifuge modeling technique has been adopted by various researchers to model and understand various geo-environment problems in order to provide a link between the real life situation termed as the 'Prototype' and its model, which is exposed to a higher gravitational field. An attempt has been made in this paper to investigate the feasibility of this technique to model advective dispersion/diffusion mechanism of radionuclides through saturated Bentonite-Sand (B:S) backfill. Various stages of centrifuge modeling are highlighted. Column tests were conducted in the centrifuge to evaluate the hydraulic conductivity of B:S mixture under prototype NSDF stress conditions. Results showed that steady state hydraulic conductivity under saturated conditions was 2.86 10{sup -11} m/sec. Studies indicate the feasibility of centrifuge modeling technique and usefulness to model advective diffusion of radionuclides through B:S backfill. (authors)

  16. Triangle geometry processing for surface modeling and cartesian grid generation

    DOE Patents [OSTI]

    Aftosmis, Michael J [San Mateo, CA; Melton, John E [Hollister, CA; Berger, Marsha J [New York, NY

    2002-09-03

    Cartesian mesh generation is accomplished for component based geometries, by intersecting components subject to mesh generation to extract wetted surfaces with a geometry engine using adaptive precision arithmetic in a system which automatically breaks ties with respect to geometric degeneracies. During volume mesh generation, intersected surface triangulations are received to enable mesh generation with cell division of an initially coarse grid. The hexagonal cells are resolved, preserving the ability to directionally divide cells which are locally well aligned.

  17. Modeling Exposure to Persistent Chemicals in Hazard and Risk Assessment

    SciTech Connect (OSTI)

    Cowan-Ellsberry, Christina E.; McLachlan, Michael S.; Arnot, Jon A.; MacLeod, Matthew; McKone, Thomas E.; Wania, Frank

    2008-11-01

    Fate and exposure modeling has not thus far been explicitly used in the risk profile documents prepared to evaluate significant adverse effect of candidate chemicals for either the Stockholm Convention or the Convention on Long-Range Transboundary Air Pollution. However, we believe models have considerable potential to improve the risk profiles. Fate and exposure models are already used routinely in other similar regulatory applications to inform decisions, and they have been instrumental in building our current understanding of the fate of POP and PBT chemicals in the environment. The goal of this paper is to motivate the use of fate and exposure models in preparing risk profiles in the POP assessment procedure by providing strategies for incorporating and using models. The ways that fate and exposure models can be used to improve and inform the development of risk profiles include: (1) Benchmarking the ratio of exposure and emissions of candidate chemicals to the same ratio for known POPs, thereby opening the possibility of combining this ratio with the relative emissions and relative toxicity to arrive at a measure of relative risk. (2) Directly estimating the exposure of the environment, biota and humans to provide information to complement measurements, or where measurements are not available or are limited. (3) To identify the key processes and chemical and/or environmental parameters that determine the exposure; thereby allowing the effective prioritization of research or measurements to improve the risk profile. (4) Predicting future time trends including how quickly exposure levels in remote areas would respond to reductions in emissions. Currently there is no standardized consensus model for use in the risk profile context. Therefore, to choose the appropriate model the risk profile developer must evaluate how appropriate an existing model is for a specific setting and whether the assumptions and input data are relevant in the context of the application

  18. An international land-biosphere model benchmarking activity for the IPCC Fifth Assessment Report (AR5)

    SciTech Connect (OSTI)

    Hoffman, Forrest M [ORNL; Randerson, James T [ORNL; Thornton, Peter E [ORNL; Bonan, Gordon [National Center for Atmospheric Research (NCAR); Erickson III, David J [ORNL; Fung, Inez [University of California, Berkeley

    2009-12-01

    The need to capture important climate feedbacks in general circulation models (GCMs) has resulted in efforts to include atmospheric chemistry and land and ocean biogeochemistry into the next generation of production climate models, called 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 (Friedlingstein et al., 2006). This work suggests that a more rigorous set of global offline and partially coupled experiments, along with detailed analyses of processes and comparisons with measurements, are needed. The Carbon-Land Model Intercomparison Project (C-LAMP) was designed to meet this need by providing a simulation protocol and model performance metrics based upon comparisons against best-available satellite- and ground-based measurements (Hoffman et al., 2007). Recently, a similar effort in Europe, called the International Land Model Benchmark (ILAMB) Project, was begun to assess the performance of European land surface models. These two projects will now serve as prototypes for a proposed international land-biosphere model benchmarking activity for those models participating in the IPCC Fifth Assessment Report (AR5). Initially used for model validation for terrestrial biogeochemistry models in the NCAR Community Land Model (CLM), C-LAMP incorporates a simulation protocol for both offline and partially coupled simulations using a prescribed historical trajectory of atmospheric CO2 concentrations. Models are confronted with data through comparisons against AmeriFlux site measurements, MODIS satellite observations, NOAA Globalview flask records, TRANSCOM inversions, and Free Air CO2 Enrichment (FACE) site measurements. Both sets of experiments have been performed using two different terrestrial biogeochemistry modules coupled to the CLM version 3 in the Community Climate System Model version 3 (CCSM3): the CASA model of Fung, et al., and the carbon

  19. Assessment of damage to the desert surfaces of Kuwait due to the Gulf War

    SciTech Connect (OSTI)

    El-Baz, F. . Center for Remote Sensing); Al-Ajmi, D. . Environmental and Earth Sciences Div.)

    1993-01-01

    This is a preliminary report on a joint research project by Boston University and the Kuwait Institute for Scientific Research that commenced in April 1992. The project aim is to establish the extent and nature of environmental damage to the desert surface and coastal zone of Kuwait due to the Gulf War and its aftermath. Change detection image enhancement techniques were employed to enhance environmental change by comparison of Landsat Thematic Mapper images obtained before the wars and after the cessation of the oil and well fires. Higher resolution SPOT images were also utilized to evaluate the nature of the environmental damage to specific areas. The most prominent changes were due to: (1) the deposition of oil and course-grained soot on the desert surface as a result of oil rain'' from the plume that emanated from the oil well fires; (2) the formation of hundreds of oil lakes, from oil seepage at the damaged oil well heads; (3) the mobilization of sand and dust and (4) the pollution of segments of the coastal zone by the deposition of oil from several oil spills. Interpretation of satellite image data are checked in the field to confirm the observations, and to assess the nature of the damage. Final results will be utilized in establishing the needs for remedial action to counteract the harmful effects of the various types of damage to the environment of Kuwait.

  20. Surface water drainage system. Environmental assessment and finding of no significant impact

    SciTech Connect (OSTI)

    1996-05-01

    This Environmental Assessment (EA) is written pursuant to the National Environmental Policy Act (NEPA). The document identifies and evaluates the action proposed to correct deficiencies in, and then to maintain, the surface water drainage system serving the Department of Energy`s Rocky Flats Environmental Technology Site (Site), located north of Golden, Colorado. Many of the activities proposed would not normally be subject to this level of NEPA documentation. However, in many cases, maintenance of the system has been deferred to the point that wetlands vegetation has become established in some ditches and culverts, creating wetlands. The proposed activities would damage or remove some of these wetlands in order to return the drainage system to the point that it would be able to fully serve its intended function - stormwater control. The Department of Energy (DOE) regulations require that activities affecting environmentally sensitive areas like wetlands be the subject of an EA. Most portions of the surface water drainage system are presently inadequate to convey the runoff from a 100-year storm event. As a result, such an event would cause flooding across much of the Site and possibly threaten the integrity of the dams at the terminal ponds. Severe flooding would not only cause damage to facilities and equipment, but could also facilitate the transport of contaminants from individual hazardous substance sites (IHSSs). Uncontrolled flow through the A- and B-series ponds could cause contaminated sediments to become suspended and carried downstream. Additionally, high velocity flood flows significantly increase erosion losses.

  1. Test Plan to Assess Fire Effects on the Function of an Engineered Surface Barrier

    SciTech Connect (OSTI)

    Ward, Anderson L.; Berlin, Gregory T.; Cammann, Jerry W.; Leary, Kevin D.; Link, Steven O.

    2008-09-29

    Wildfire is a frequent perturbation in shrub steppe ecosystems, altering the flora, fauna, atmosphere, and soil of these systems. Research on the fire effects has focused mostly on natural ecosystems with essentially no attention on engineered systems like surface barriers. The scope of the project is to use a simulated wildfire to induce changes in an engineered surface barrier and document the effects on barrier performance. The main objective is to quantify the effects of burning and the resulting post-fire conditions on alterations in soil physical properties; hydrologic response, particularly the water balance; geochemical properties; and biological properties. A secondary objective is to use the lessons learned to maximize fire protection in the design of long-term monitoring systems based on electronic sensors. A simulated wildfire will be initiated, controlled and monitored at the 200-BP-1 barrier in collaboration with the Hanford Fire Department during the fall of 2008. The north half of the barrier will be divided into nine 12 x 12 m plots, each of which will be randomly assigned a fuel load of 2 kg m-2 or 4 kg m-2. Each plot will be ignited around the perimeter and flames allowed to carry to the centre. Any remaining unburned vegetation will be manually burned off using a drip torch. Progress of the fire and its effects will be monitored using point measurements of thermal, hydrologic, and biotic variables. Three measures of fire intensity will be used to characterize fire behavior: (1) flame height, (2) the maximum temperature at three vertical profile levels, and (3) total duration of elevated temperature at these levels. Pre-burn plant information, including species diversity, plant height, and canopy diameter will be measured on shrubs from the plots to be burned and from control plots at the McGee ranch. General assessments of shrub survival, recovery, and recruitment will be made after the fire. Near-surface soil samples will be collected pre- and

  2. A Hydro-Economic Approach to Representing Water Resources Impacts in Integrated Assessment Models

    SciTech Connect (OSTI)

    Kirshen, Paul H.; Strzepek, Kenneth, M.

    2004-01-14

    Grant Number DE-FG02-98ER62665 Office of Energy Research of the U.S. Department of Energy Abstract Many Integrated Assessment Models (IAM) divide the world into a small number of highly aggregated regions. Non-OECD countries are aggregated geographically into continental and multiple-continental regions or economically by development level. Current research suggests that these large scale aggregations cannot accurately represent potential water resources-related climate change impacts. In addition, IAMs do not explicitly model the flow regulation impacts of reservoir and ground water systems, the economics of water supply, or the demand for water in economic activities. Using the International Model for Policy Analysis of Agricultural Commodities and Trade (IMPACT) model of the International Food Policy Research Institute (IFPRI) as a case study, this research implemented a set of methodologies to provide accurate representation of water resource climate change impacts in Integrated Assessment Models. There were also detailed examinations of key issues related to aggregated modeling including: modeling water consumption versus water withdrawals; ground and surface water interactions; development of reservoir cost curves; modeling of surface areas of aggregated reservoirs for estimating evaporation losses; and evaluating the importance of spatial scale in river basin modeling. The major findings include: - Continental or national or even large scale river basin aggregation of water supplies and demands do not accurately capture the impacts of climate change in the water and agricultural sector in IAMs. - Fortunately, there now exist gridden approaches (0.5 X 0.5 degrees) to model streamflows in a global analysis. The gridded approach to hydrologic modeling allows flexibility in aligning basin boundaries with national boundaries. This combined with GIS tools, high speed computers, and the growing availability of socio-economic gridded data bases allows assignment of

  3. Methods for Developing Emissions Scenarios for Integrated Assessment Models

    SciTech Connect (OSTI)

    Prinn, Ronald; Webster, Mort

    2007-08-20

    The overall objective of this research was to contribute data and methods to support the future development of new emissions scenarios for integrated assessment of climate change. Specifically, this research had two main objectives: 1. Use historical data on economic growth and energy efficiency changes, and develop probability density functions (PDFs) for the appropriate parameters for two or three commonly used integrated assessment models. 2. Using the parameter distributions developed through the first task and previous work, we will develop methods of designing multi-gas emission scenarios that usefully span the joint uncertainty space in a small number of scenarios. Results on the autonomous energy efficiency improvement (AEEI) parameter are summarized, an uncertainty analysis of elasticities of substitution is described, and the probabilistic emissions scenario approach is presented.

  4. Modeled heating and surface erosion comparing motile (gas borne) and stationary (surface coating) inert particle additives

    SciTech Connect (OSTI)

    Buckingham, A.C.; Siekhaus, W.J.

    1982-09-27

    The unsteady, non-similar, chemically reactive, turbulent boundary layer equations are modified for gas plus dispersed solid particle mixtures, for gas phase turbulent combustion reactions and for heterogeneous gas-solid surface erosive reactions. The exterior (ballistic core) edge boundary conditions for the solutions are modified to include dispersed particle influences on core propellant combustion-generated turbulence levels, combustion reactants and products, and reaction-induced, non-isentropic mixture states. The wall surface (in this study it is always steel) is considered either bare or coated with a fixed particle coating which is conceptually non-reactive, insulative, and non-ablative. Two families of solutions are compared. These correspond to: (1) consideration of gas-borne, free-slip, almost spontaneously mobile (motile) solid particle additives which influence the turbulent heat transfer at the uncoated steel surface and, in contrast, (2) consideration of particle-free, gas phase turbulent heat transfer to the insulated surface coated by stationary particles. Significant differences in erosive heat transfer are found in comparing the two families of solutions over a substantial range of interior ballistic flow conditions. The most effective influences on reducing erosive heat transfer appear to favor mobile, gas-borne particle additives.

  5. A preliminary study to Assess Model Uncertainties in Fluid Flows

    SciTech Connect (OSTI)

    Marc Oliver Delchini; Jean C. Ragusa

    2009-09-01

    The goal of this study is to assess the impact of various flow models for a simplified primary coolant loop of a light water nuclear reactor. The various fluid flow models are based on the Euler equations with an additional friction term, gravity term, momentum source, and energy source. The geometric model is purposefully chosen simple and consists of a one-dimensional (1D) loop system in order to focus the study on the validity of various fluid flow approximations. The 1D loop system is represented by a rectangle; the fluid is heated up along one of the vertical legs and cooled down along the opposite leg. A pressurizer and a pump are included in the horizontal legs. The amount of energy transferred and removed from the system is equal in absolute value along the two vertical legs. The various fluid flow approximations are compressible vs. incompressible, and complete momentum equation vs. Darcys approximation. The ultimate goal is to compute the fluid flow models uncertainties and, if possible, to generate validity ranges for these models when applied to reactor analysis. We also limit this study to single phase flows with low-Mach numbers. As a result, sound waves carry a very small amount of energy in this particular case. A standard finite volume method is used for the spatial discretization of the system.

  6. Development of Surface Complexation Models of Cr(VI) Adsorption...

    Office of Scientific and Technical Information (OSTI)

    Cr(VI) Adsorption on Soils, Sediments and Model Mixtures of Kaolinite, Montmorillonite, ... into aquifers and shallow sediments and soils via many anthropogenic activities. ...

  7. Geochemical Modeling of the Near-Surface Hydrothermal System...

    Open Energy Info (EERE)

    with non-thermal groundwater. Our conceptual model is based on hypotheses in the literature and published geochemical and petrologic data. Mixing of thermal and non-thermal...

  8. Modeling Of Surface Deformation From Satellite Radar Interferometry...

    Open Energy Info (EERE)

    Salton Sea geothermal field is modeled using results from satellite radar interferometry, data from leveling surveys, and observations from the regional GPS network. The field is...

  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. Langasite Surface Acoustic Wave Gas Sensors: Modeling and Verification

    SciTech Connect (OSTI)

    Zheng, Peng; Greve, David W; Oppenheim, Irving J

    2013-01-01

    We report finite element simulations of the effect of conductive sensing layers on the surface wave velocity of langasite substrates. The simulations include both the mechanical and electrical influences of the conducting sensing layer. We show that three-dimensional simulations are necessary because of the out-of-plane displacements of the commonly used (0, 138.5, 26.7) Euler angle. Measurements of the transducer input admittance in reflective delay-line devices yield a value for the electromechanical coupling coefficient that is in good agreement with the three-dimensional simulations on bare langasite substrate. The input admittance measurements also show evidence of excitation of an additional wave mode and excess loss due to the finger resistance. The results of these simulations and measurements will be useful in the design of surface acoustic wave gas sensors.

  11. An Inspector's Assessment of the New Model Safeguards Approach for Enrichment Plants

    SciTech Connect (OSTI)

    Curtis, Michael M.

    2007-07-31

    This conference paper assesses the changes that are being made to the Model Safeguards Approach for Gas Centrifuge Enrichment Plants.

  12. Integrated surface/subsurface permafrost thermal hydrology: Model formulation and proof-of-concept simulations

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

    Painter, Scott L.; Coon, Ethan T.; Atchley, Adam L.; Berndt, Markus; Garimella, Rao; Moulton, J. David; Svyatskiy, Daniil; Wilson, Cathy J.

    2016-08-11

    The need to understand potential climate impacts and feedbacks in Arctic regions has prompted recent interest in modeling of permafrost dynamics in a warming climate. A new fine-scale integrated surface/subsurface thermal hydrology modeling capability is described and demonstrated in proof-of-concept simulations. The new modeling capability combines a surface energy balance model with recently developed three-dimensional subsurface thermal hydrology models and new models for nonisothermal surface water flows and snow distribution in the microtopography. Surface water flows are modeled using the diffusion wave equation extended to include energy transport and phase change of ponded water. Variation of snow depth in themore » microtopography, physically the result of wind scour, is also modeled heuristically with a diffusion wave equation. The multiple surface and subsurface processes are implemented by leveraging highly parallel community software. Fully integrated thermal hydrology simulations on the tilted open book catchment, an important test case for integrated surface/subsurface flow modeling, are presented. Fine-scale 100-year projections of the integrated permafrost thermal hydrological system on an ice wedge polygon at Barrow Alaska in a warming climate are also presented. Finally, these simulations demonstrate the feasibility of microtopography-resolving, process-rich simulations as a tool to help understand possible future evolution of the carbon-rich Arctic tundra in a warming climate.« less

  13. Digital processing of SEM images for the assessment of evaluation indexes of cleaning interventions on Pentelic marble surfaces

    SciTech Connect (OSTI)

    Moropoulou, A. Delegou, E.T.; Vlahakis, V.; Karaviti, E.

    2007-11-15

    In this work, digital processing of scanning-electron-microscopy images utilized to assess cleaning interventions applied on the Pentelic marble surfaces of the National Archaeological Museum and National Library in Athens, Greece. Beside mineralogical and chemical characterization that took place by scanning-electron-microscopy with Energy Dispersive X-ray Spectroscopy, the image-analysis program EDGE was applied for estimating three evaluation indexes of the marble micro-structure. The EDGE program was developed by the U.S. Geological Survey for the evaluation of cleaning interventions applied on Philadelphia City Hall. This computer program analyzes scanning-electron-microscopy images of stone specimens cut in cross-section for measuring the fractal dimension of the exposed surfaces, the stone near-surface fracture density, the shape factor (a surface roughness factor) and the friability index which represents the physico-chemical and physico-mechanical stability of the stone surface. The results indicated that the evaluation of the marble surface micro-structure before and after cleaning is achieved by the suggested indexes, while the performance of cleaning interventions on the marble surfaces can be assessed.

  14. Status of thermalhydraulic modelling and assessment: Open issues

    SciTech Connect (OSTI)

    Bestion, D.; Barre, F.

    1997-07-01

    This paper presents the status of the physical modelling in present codes used for Nuclear Reactor Thermalhydraulics (TRAC, RELAP 5, CATHARE, ATHLET,...) and attempts to list the unresolved or partially resolved issues. First, the capabilities and limitations of present codes are presented. They are mainly known from a synthesis of the assessment calculations performed for both separate effect tests and integral effect tests. It is also interesting to list all the assumptions and simplifications which were made in the establishment of the system of equations and of the constitutive relations. Many of the present limitations are associated to physical situations where these assumptions are not valid. Then, recommendations are proposed to extend the capabilities of these codes.

  15. Boundary layer modeling of reactive flow over a porous surface with angled injection

    SciTech Connect (OSTI)

    Liu, Shiling; Fotache, Catalin G.; Hautman, Donald J.; Ochs, Stuart S. [United Technologies Research Center, MS 129-29, 411 Silver Lane, East Hartford, CT 06108 (United States); Chao, Beei-Huan [Department of Mechanical Engineering, University of Hawaii at Manoa, Honolulu, HI 96822 (United States)

    2008-08-15

    An analytical model was developed to investigate the dynamics of nonpremixed flames in a shear layer established between a mainstream flow of fuel-rich combustion products and a porous surface with an angled injection of air. In the model, a one-step overall chemical reaction was employed, together with boundary layer conservation equations solved using similarity solutions. Parametric studies were performed to understand the effects of equivalence ratio, temperature, and mass flow rate of the fuel and air streams on the flame standoff distance, surface temperature, and heat flux at the surface. The analytical model predictions were compared with computational fluid dynamics results obtained using the FLUENT commercial code for both the laminar and the turbulent flow models. Qualitative agreement in surface temperature was observed. Finally, the flame stability limits predicted by the model were compared with available experimental data and found to agree qualitatively, as well. (author)

  16. Free surface modeling in OWC chamber with parabolic side walls using 3D BEM

    SciTech Connect (OSTI)

    Hasanabad, Madjid Ghodsi

    2015-03-10

    In this paper, BEM was used for free surface modeling in OWC chamber and out of it. Linear kinematic and dynamic boundary conditions were used for free surface out of OWC chamber and nonlinear forms were used for free surface in the chamber. These boundary conditions were discretized by finite differences method. Also, some thermodynamics relations were applied for trapped air behavior modeling in OWC chamber. Wave specifications in Chabahar region were used in modeling because these waves have an acceptable power for electricity generation. The results show a good agreement with results of other researches.

  17. 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

  18. Nonlinear Time Domain Modeling and Simulation of Surface and Embedded NPPS

    Broader source: Energy.gov [DOE]

    Nonlinear Time Domain Modeling and Simulation of Surface and Embedded NPPS Boris Jeremic with contributions from Federico Pisanò, Jose Abell, Kohei Watanabe, Chao Luo University of California, Davis Lawrence Berkeley National Laboratory, Berkeley DOE NPH, October 2014

  19. Utility of Social Modeling for Proliferation Assessment - Enhancing a Facility-Level Model for Proliferation Resistance Assessment of a Nuclear Enegry System

    SciTech Connect (OSTI)

    Coles, Garill A.; Brothers, Alan J.; Gastelum, Zoe N.; Olson, Jarrod; Thompson, Sandra E.

    2009-10-26

    The Utility of Social Modeling for Proliferation Assessment project (PL09-UtilSocial) investigates the use of social and cultural information to improve nuclear proliferation assessments, including nonproliferation assessments, Proliferation Resistance (PR) assessments, safeguards assessments, and other related studies. These assessments often use and create technical information about a host State and its posture towards proliferation, the vulnerability of a nuclear energy system (NES) to an undesired event, and the effectiveness of safeguards. This objective of this project is to find and integrate social and technical information by explicitly considering the role of cultural, social, and behavioral factors relevant to proliferation; and to describe and demonstrate if and how social science modeling has utility in proliferation assessment. This report describes a modeling approach and how it might be used to support a location-specific assessment of the PR assessment of a particular NES. The report demonstrates the use of social modeling to enhance an existing assessment process that relies on primarily technical factors. This effort builds on a literature review and preliminary assessment performed as the first stage of the project and compiled in PNNL-18438. [ T his report describes an effort to answer questions about whether it is possible to incorporate social modeling into a PR assessment in such a way that we can determine the effects of social factors on a primarily technical assessment. This report provides: 1. background information about relevant social factors literature; 2. background information about a particular PR assessment approach relevant to this particular demonstration; 3. a discussion of social modeling undertaken to find and characterize social factors that are relevant to the PR assessment of a nuclear facility in a specific location; 4. description of an enhancement concept that integrates social factors into an existing, technically

  20. Surface structural ion adsorption modeling of competitive binding of oxyanions by metal (hydr)oxides

    SciTech Connect (OSTI)

    Hiemstra, T.; Riemsdijk, W.H. van

    1999-02-01

    An important challenge in surface complexation models (SCM) is to connect the molecular microscopic reality to macroscopic adsorption phenomena. This study elucidates the primary factor controlling the adsorption process by analyzing the adsorption and competition of PO{sub 4}, AsO{sub 4}, and SeO{sub 3}. The authors show that the structure of the surface-complex acting in the dominant electrostatic field can be ascertained as the primary controlling adsorption factor. The surface species of arsenate are identical with those of phosphate and the adsorption behavior is very similar. On the basis of the selenite adsorption, The authors show that the commonly used 1pK models are incapable to incorporate in the adsorption modeling the correct bidentate binding mechanism found by spectroscopy. The use of the bidentate mechanism leads to a proton-oxyanion ratio and corresponding pH dependence that are too large. The inappropriate intrinsic charge attribution to the primary surface groups and the condensation of the inner sphere surface complex to a point charge are responsible for this behavior of commonly used 2pK models. Both key factors are differently defined in the charge distributed multi-site complexation (CD-MUSIC) model and are based in this model on a surface structural approach. The CD-MUSIC model can successfully describe the macroscopic adsorption phenomena using the surface speciation and binding mechanisms as found by spectroscopy. The model is also able to predict the anion competition well. The charge distribution in the interface is in agreement with the observed structure of surface complexes.

  1. A reassessment of surface friction model for maximum cold fusion reactions in superheavy mass region

    SciTech Connect (OSTI)

    Fukushima, A.; Wada, T.; Ohta, M.; Nasirov, A.; Aritomo, Y.

    2007-02-26

    We have made a study on the capture process of 40,48Ca+ 208Pb systems with a dynamical approach based on the surface friction model. The deformation of the nuclei due to the mutual excitation is taken into account. We have calculated the capture cross sections for several values of the friction coefficients. It was shown that, in the cold fusion reactions, the friction parameters of the surface friction model needs to be reexamined.

  2. A DOUBLE-RING ALGORITHM FOR MODELING SOLAR ACTIVE REGIONS: UNIFYING KINEMATIC DYNAMO MODELS AND SURFACE FLUX-TRANSPORT SIMULATIONS

    SciTech Connect (OSTI)

    Munoz-Jaramillo, Andres; Martens, Petrus C. H.; Nandy, Dibyendu; Yeates, Anthony R. E-mail: dnandi@iiserkol.ac.i E-mail: anthony@maths.dundee.ac.u

    2010-09-01

    The emergence of tilted bipolar active regions (ARs) and the dispersal of their flux, mediated via processes such as diffusion, differential rotation, and meridional circulation, is believed to be responsible for the reversal of the Sun's polar field. This process (commonly known as the Babcock-Leighton mechanism) is usually modeled as a near-surface, spatially distributed {alpha}-effect in kinematic mean-field dynamo models. However, this formulation leads to a relationship between polar field strength and meridional flow speed which is opposite to that suggested by physical insight and predicted by surface flux-transport simulations. With this in mind, we present an improved double-ring algorithm for modeling the Babcock-Leighton mechanism based on AR eruption, within the framework of an axisymmetric dynamo model. Using surface flux-transport simulations, we first show that an axisymmetric formulation-which is usually invoked in kinematic dynamo models-can reasonably approximate the surface flux dynamics. Finally, we demonstrate that our treatment of the Babcock-Leighton mechanism through double-ring eruption leads to an inverse relationship between polar field strength and meridional flow speed as expected, reconciling the discrepancy between surface flux-transport simulations and kinematic dynamo models.

  3. THE PENA BLANCA NATURAL ANALOGUE PERFORMANCE ASSESSMENT MODEL

    SciTech Connect (OSTI)

    G.J. Saulnier Jr; W. Statham

    2006-03-10

    The Nopal I uranium mine in the Sierra Pena Blanca, Chihuahua, Mexico serves as a natural analogue to the Yucca Mountain repository. The Pena Blanca Natural Analogue Performance Assessment Model simulates the mobilization and transport of radionuclides that are released from the mine and transported to the saturated zone. the Pena Blanca Natural Analogue Model uses probabilistic simulations of hydrogeologic processes that are analogous to the processes that occur at the Yucca Mountain site. The Nopal I uranium deposit lies in fractured, welded, and altered rhyolitic ash flow tuffs that overlie carbonate rocks, a setting analogous to the geologic formations at the Yucca Mountain site. The Nopal I mine site has the following characteristics as compared to the Yucca Mountain repository site. (1) Analogous source: UO{sub 2} uranium ore deposit = spent nuclear fuel in the repository; (2) Analogous geologic setting: fractured, welded, and altered rhyolitic ash flow tuffs overlying carbonate rocks; (3) Analogous climate: Semiarid to arid; (4) Analogous geochemistry: Oxidizing conditions; and (5) Analogous hydrogeology: The ore deposit lies in the unsaturated zone above the water table. The Nopal I deposit is approximately 8 {+-} 0.5 million years old and has been exposed to oxidizing conditions during the last 3.2 to 3.4 million years. The Pena Blanca Natural Analogue Model considers that the uranium oxide and uranium silicates in the ore deposit were originally analogous to uranium-oxide spent nuclear fuel. The Pena Blanca site has been characterized using field and laboratory investigations of its fault and fracture distribution, mineralogy, fracture fillings, seepage into the mine adits, regional hydrology, and mineralization that shows the extent of radionuclide migration. Three boreholes were drilled at the Nopal I mine site in 2003 and these boreholes have provided samples for lithologic characterization, water-level measurements, and water samples for laboratory

  4. Realistic multisite lattice-gas modeling and KMC simulation of catalytic surface reactions: Kinetics and multiscale spatial behavior for CO-oxidation on metal (100) surfaces

    SciTech Connect (OSTI)

    Liu, Dajiang [Ames Laboratory; Evans, James W. [Ames Laboratory

    2013-12-01

    A realistic molecular-level description of catalytic reactions on single-crystal metal surfaces can be provided by stochastic multisite lattice-gas (msLG) models. This approach has general applicability, although in this report, we will focus on the example of CO-oxidation on the unreconstructed fcc metal (100) or M(100) surfaces of common catalyst metals M = Pd, Rh, Pt and Ir (i.e., avoiding regimes where Pt and Ir reconstruct). These models can capture the thermodynamics and kinetics of adsorbed layers for the individual reactants species, such as CO/M(100) and O/M(100), as well as the interaction and reaction between different reactant species in mixed adlayers, such as (CO + O)/M(100). The msLG models allow population of any of hollow, bridge, and top sites. This enables a more flexible and realistic description of adsorption and adlayer ordering, as well as of reaction configurations and configuration-dependent barriers. Adspecies adsorption and interaction energies, as well as barriers for various processes, constitute key model input. The choice of these energies is guided by experimental observations, as well as by extensive Density Functional Theory analysis. Model behavior is assessed via Kinetic Monte Carlo (KMC) simulation. We also address the simulation challenges and theoretical ramifications associated with very rapid diffusion and local equilibration of reactant adspecies such as CO. These msLG models are applied to describe adsorption, ordering, and temperature programmed desorption (TPD) for individual CO/M(100) and O/M(100) reactant adlayers. In addition, they are also applied to predict mixed (CO + O)/M(100) adlayer structure on the nanoscale, the complete bifurcation diagram for reactive steady-states under continuous flow conditions, temperature programmed reaction (TPR) spectra, and titration reactions for the CO-oxidation reaction. Extensive and reasonably successful comparison of model predictions is made with experimental data. Furthermore

  5. Safety Assessment for a Surface Repository in the Chernobyl Exclusion Zone - Methodology for Assessing Disposal under Intervention Conditions - 13476

    SciTech Connect (OSTI)

    Haverkamp, B.; Krone, J.; Shybetskyi, I.

    2013-07-01

    The Radioactive Waste Disposal Facility (RWDF) Buryakovka was constructed in 1986 as part of the intervention measures after the accident at Chernobyl NPP (ChNPP). Today, RWDF Buryakovka is still being operated but its maximum capacity is nearly reached. Plans for enlargement of the facility exist since more than 10 years but have not been implemented yet. In the framework of an European Commission Project DBE Technology GmbH prepared a safety analysis report of the facility in its current state (SAR) and a preliminary safety analysis report (PSAR) based on the planned enlargement. Due to its history RWDF Buryakovka does not fully comply with today's best international practices and the latest Ukrainian regulations in this area. The most critical aspects are its inventory of long-lived radionuclides, and the non-existent multi-barrier waste confinement system. A significant part of the project was dedicated, therefore, to the development of a methodology for the safety assessment taking into consideration the facility's special situation and to reach an agreement with all stakeholders involved in the later review and approval procedure of the safety analysis reports. Main aspect of the agreed methodology was to analyze the safety, not strictly based on regulatory requirements but on the assessment of the actual situation of the facility including its location within the Exclusion Zone. For both safety analysis reports, SAR and PSAR, the assessment of the long-term safety led to results that were either within regulatory limits or within the limits allowing for a specific situational evaluation by the regulator. (authors)

  6. Integrated Assessment Modeling of Carbon Sequestration and Land Use Emissions Using Detailed Model Results and Observations

    SciTech Connect (OSTI)

    Dr. Atul Jain

    2005-04-17

    This report outlines the progress on the development and application of Integrated Assessment Modeling of Carbon Sequestrations and Land Use Emissions supported by the DOE Office of Biological and Environmental Research (OBER), U.S. Department of Energy, Grant No. DOE-DE-FG02-01ER63069. The overall objective of this collaborative project between the University of Illinois at Urbana-Champaign (UIUC), Oak Ridge National Laboratory (ORNL), Lawrence Livermore National Laboratory (LLNL), and Pacific Northwest National Laboratory (PNNL) was to unite the latest advances in carbon cycle research with scientifically based models and policy-related integrated assessment tools that incorporate computationally efficient representations of the latest knowledge concerning science and emission trajectories, and their policy implications. As part of this research we accomplished the following tasks that we originally proposed: (1) In coordination with LLNL and ORNL, we enhanced the Integrated Science Assessment Model's (ISAM) parametric representation of the ocean and terrestrial carbon cycles that better represent spatial and seasonal variations, which are important to study the mechanisms that influence carbon sequestration in the ocean and terrestrial ecosystems; (2) Using the MiniCAM modeling capability, we revised the SRES (IPCC Special Report on Emission Scenarios; IPCC, 2000) land use emission scenarios; and (3) On the application front, the enhanced version of ISAM modeling capability is applied to understand how short- and long-term natural carbon fluxes, carbon sequestration, and human emissions contribute to the net global emissions (concentrations) trajectories required to reach various concentration (emission) targets. Under this grant, 21 research publications were produced. In addition, this grant supported a number of graduate and undergraduate students whose fundamental research was to learn a disciplinary field in climate change (e.g., ecological dynamics and

  7. A surface structural approach to ion adsorption: The charge distribution (CD) model

    SciTech Connect (OSTI)

    Hiemstra, T.; Van Riemsdijk, W.H.

    1996-05-10

    Cation and anion adsorption at the solid/solution interface of metal hydroxides plays an important role in several fields of chemistry, including colloid and interface chemistry, soil chemistry and geochemistry, aquatic chemistry, environmental chemistry, catalysis, and chemical engineering. An ion adsorption model for metal hydroxides has been developed which deals with the observation that in the case of inner sphere complex formation only part of the surface complex is incorporated into the surface by a ligand exchange reaction while the other part is located in the Stern layer. The charge distribution (CD) concept of Pauling, used previously in the multi site complexation (MUSIC) model approach, is extended to account for adsorbed surface complexes. In the new model, surface complexes are not treated as point charges, but are considered as having a spatial distribution of charge in the interfacial region. The new CD model can describe within a single conceptual framework all important experimental adsorption phenomena, taking into account the chemical composition of the crystal surface. The CD model has been applied to one of the most difficult and challenging ion adsorption phenomena, i.e., PO{sub 4} adsorption on goethite, and successfully describes simultaneously the basic charging behavior of goethite, the concentration, pH, and salt dependency of adsorption, the shifts in the zeta potentials and isoelectric point (IEP), and the OH/P exchange ratio. This is all achieved within the constraint that the experimental surface speciation found from in situ IR spectroscopy is also described satisfactorily.

  8. Use of GIS and 3D Modeling for Development and Conceptualization of a Performance Assessment Model for Decommissioning of a Complex Site

    SciTech Connect (OSTI)

    Esh, D. W.; Gross, A. J.; Thaggard, M.

    2006-07-01

    Geographic Information Systems (GIS) and 3D geo-spatial modeling were employed to facilitate development and conceptualization of a performance assessment (PA) model that will be used to evaluate the health impacts of residual radioactivity at a former nuclear materials processing facility site in New York. Previous operations have resulted in a number of different sources of radiological contamination that must be assessed during site decommissioning. A performance assessment model is being developed to estimate radiological dose to potential receptors through the simulation of the release and transport of radionuclides, and exposure to residual contamination for hundreds to thousands of years in the future. A variety of inputs are required to parameterize the performance assessment model, such as: distance from the waste to surface water bodies, thickness of geologic units for saturated transport, saturated thickness of the geologic units, and spatial and temporal average of percent of waste that is saturated. GIS and 3D modeling are used to analyze and abstract aleatory uncertainty associated with the dimensionality of the geologic system into epistemic uncertainty for one- and two-dimensional process models for flow and transport of radionuclides. Three-dimensional geo-spatial modeling was used to develop the geologic framework and the geometrical representation of the residual contamination within the geologic framework. GIS was used in the initial development and parameterization of the transport pathways, to provide spatial context to the PA model, and to link it to the 3D geologic framework and contamination geometry models. Both the GIS and 3-D modeling were used to interpret the results of runs of the PA model. (authors)

  9. Evaluation of models for estimating solar irradiation on vertical surfaces at Valencia, Spain

    SciTech Connect (OSTI)

    Utrillas, M.P.; Martinez-Lozano, J.A.; Casanovas, A.J. )

    1991-01-01

    Hourly irradiation data recorded on vertical surfaces at north, east, south, and west orientations during the winter period going from December 1989 to March 1990 in Valencia, Spain, have been compared with estimated solar irradiation from several tilted-surface models. The isotropic-, Temps' and Coulson's-, Klucher's-, Hay's-, Shartveit's and Olseth's, Gueymard's-, and Perez' (simplified) models have been considered for this comparison. Root-mean-square-difference (RMSD), mean-bias-difference (MBD) and mean-absolute-difference (MAD) estimators have been used to measure the departure of models from experimental data. Modeled values are evaluated with the original coefficients proposed by the authors. Results of comparison show that the south orientation is less prone to modeling errors. Perez' 25{degree} circumsolar simplified model being the less affected by errors in north, eat and south orientations; for west orientation Klucher's model gives a lesser error. These results are consistent with those reported in previous studies.

  10. Surface speciation of yttrium and neodymium sorbed on rutile: Interpretations using the change distribution model.

    SciTech Connect (OSTI)

    Ridley, Mora K.; Hiemstra, T; Machesky, Michael L.; Wesolowski, David J; Van Riemsdijk, Willem H.

    2012-01-01

    The adsorption of Y3+ and Nd3+ onto rutile has been evaluated over a wide range of pH (3 11) and surface loading conditions, as well as at two ionic strengths (0.03 and 0.3 m), and temperatures (25 and 50 C). The experimental results reveal the same adsorption behavior for the two trivalent ions onto the rutile surface, with Nd3+ first adsorbing at slightly lower pH values. The adsorption of both Y3+ and Nd3+ commences at pH values below the pHznpc of rutile. The experimental results were evaluated using a charge distribution (CD) and multisite complexation (MUSIC) model, and Basic Stern layer description of the electric double layer (EDL). The coordination geometry of possible surface complexes were constrained by molecular-level information obtained from X-ray standing wave measurements and molecular dynamic (MD) simulation studies. X-ray standing wave measurements showed an inner-sphere tetradentate complex for Y3+ adsorption onto the (110) rutile surface (Zhang et al., 2004b). TheMDsimulation studies suggest additional bidentate complexes may form. The CD values for all surface species were calculated based on a bond valence interpretation of the surface complexes identified by X-ray and MD. The calculated CD values were corrected for the effect of dipole orientation of interfacial water. At low pH, the tetradentate complex provided excellent fits to the Y3+ and Nd3+ experimental data. The experimental and surface complexation modeling results show a strong pH dependence, and suggest that the tetradentate surface species hydrolyze with increasing pH. Furthermore, with increased surface loading of Y3+ on rutile the tetradentate binding mode was augmented by a hydrolyzed-bidentate Y3+ surface complex. Collectively, the experimental and surface complexation modeling results demonstrate that solution chemistry and surface loading impacts Y3+ surface speciation. The approach taken of incorporating molecular-scale information into surface complexation models (SCMs

  11. A HTAP multi-model assessment of the influence of regional emission...

    Office of Scientific and Technical Information (OSTI)

    Title: A HTAP multi-model assessment of the influence of regional emission reductions on aerosol direct radiative forcing and the role of intercontinental transport Authors: Yu, H ...

  12. Computation Modeling and Assessment of Nanocoatings for Ultra Supercritical Boilers

    SciTech Connect (OSTI)

    J. Shingledecker; D. Gandy; N. Cheruvu; R. Wei; K. Chan

    2011-06-21

    Forced outages and boiler unavailability of coal-fired fossil plants is most often caused by fire-side corrosion of boiler waterwalls and tubing. Reliable coatings are required for Ultrasupercritical (USC) application to mitigate corrosion since these boilers will operate at a much higher temperatures and pressures than in supercritical (565 C {at} 24 MPa) boilers. Computational modeling efforts have been undertaken to design and assess potential Fe-Cr-Ni-Al systems to produce stable nanocrystalline coatings that form a protective, continuous scale of either Al{sub 2}O{sub 3} or Cr{sub 2}O{sub 3}. The computational modeling results identified a new series of Fe-25Cr-40Ni with or without 10 wt.% Al nanocrystalline coatings that maintain long-term stability by forming a diffusion barrier layer at the coating/substrate interface. The computational modeling predictions of microstructure, formation of continuous Al{sub 2}O{sub 3} scale, inward Al diffusion, grain growth, and sintering behavior were validated with experimental results. Advanced coatings, such as MCrAl (where M is Fe, Ni, or Co) nanocrystalline coatings, have been processed using different magnetron sputtering deposition techniques. Several coating trials were performed and among the processing methods evaluated, the DC pulsed magnetron sputtering technique produced the best quality coating with a minimum number of shallow defects and the results of multiple deposition trials showed that the process is repeatable. scale, inward Al diffusion, grain growth, and sintering behavior were validated with experimental results. The cyclic oxidation test results revealed that the nanocrystalline coatings offer better oxidation resistance, in terms of weight loss, localized oxidation, and formation of mixed oxides in the Al{sub 2}O{sub 3} scale, than widely used MCrAlY coatings. However, the ultra-fine grain structure in these coatings, consistent with the computational model predictions, resulted in accelerated Al

  13. Assessment of Fluctuating Reservoir Elevations Using Hydraulic Models and Impacts to Larval Pacific Lamprey Rearing Habitat in the Bonneville Pool

    SciTech Connect (OSTI)

    Mueller, Robert P.; Rakowski, Cynthia L.; Perkins, William A.; Richmond, Marshall C.

    2015-02-24

    This report presents the results of a modeling assessment of likely lamprey larval habitat that may be impacted by dewatering of the major tributary delta regions in the Bonneville Pool of the Columbia River. This assessment was conducted by the Pacific Northwest National Laboratory (PNNL) for the U.S. Army Corps of Engineers Portland District (CENWP). The goal of the study was to provide baseline data about how the regions of interest would potentially be impacted at three river flows (10, 50, and 90 percent exceedance flow) for four different forebay elevations at Bonneville Dam. Impacts of unsteady flows at The Dalles Dam and changing forebay elevation at Bonneville Dam for a 2-week period were also assessed. The area of dewatered regions was calculated by importing modeled data outputs into a GIS and then calculating the change in inundated area near tributary deltas for the four Bonneville forebay surface elevations. From the modeled output we determined that the overall change in area is less sensitive to elevations changes during higher river discharges. Changing the forebay elevation at Bonneville and the resulting impact to total dewatered regions was greater at the lowest modeled river flow (97 kcfs) and showed the greatest variation at the White Salmon/Hood River delta regions followed by the Wind, Klickitat and the Little White Salmon rivers. To understand how inundation might change on a daily and hourly basis. Unsteady flow models were run for a 2-week period in 2002 and compared to 2014. The water surface elevation in the upstream pool closely follows that of the Bonneville Dam forebay with rapid changes of 1 to 2-ft possible. The data shows that 2.5-ft variation in water surface elevation occurred during this period in 2002 and a 3.7-ft change occurred in 2014. The duration of these changes were highly variable and generally did not stay constant for more than a 5-hr period.

  14. Assessing Models of Public Understanding In ELSI Outreach Materials

    SciTech Connect (OSTI)

    Bruce V. Lewenstein, Ph.D.; Dominique Brossard, Ph.D.

    2006-03-01

    issues has been used in educational public settings to affect public understanding of science. After a theoretical background discussion, our approach is three-fold. First, we will provide an overview, a ?map? of DOE-funded of outreach programs within the overall ELSI context to identify the importance of the educational component, and to present the criteria we used to select relevant and representative case studies. Second, we will document the history of the case studies. Finally, we will explore an intertwined set of research questions: (1) To identify what we can expect such projects to accomplish -in other words to determine the goals that can reasonably be achieved by different types of outreach, (2) To point out how the case study approach could be useful for DOE-ELSI outreach as a whole, and (3) To use the case study approach as a basis to test theoretical models of science outreach in order to assess to what extent those models accord with real world outreach activities. For this last goal, we aim at identifying what practices among ELSI outreach activities contribute most to dissemination, or to participation, in other words in which cases outreach materials spark action in terms of public participation in decisions about scientific issues.

  15. Modeling laser-induced periodic surface structures: Finite-difference time-domain feedback simulations

    SciTech Connect (OSTI)

    Skolski, J. Z. P. Vincenc Obona, J.; Römer, G. R. B. E.; Huis in 't Veld, A. J.

    2014-03-14

    A model predicting the formation of laser-induced periodic surface structures (LIPSSs) is presented. That is, the finite-difference time domain method is used to study the interaction of electromagnetic fields with rough surfaces. In this approach, the rough surface is modified by “ablation after each laser pulse,” according to the absorbed energy profile, in order to account for inter-pulse feedback mechanisms. LIPSSs with a periodicity significantly smaller than the laser wavelength are found to “grow” either parallel or orthogonal to the laser polarization. The change in orientation and periodicity follow from the model. LIPSSs with a periodicity larger than the wavelength of the laser radiation and complex superimposed LIPSS patterns are also predicted by the model.

  16. Kinetic model for electric-field induced point defect redistribution near semiconductor surfaces

    SciTech Connect (OSTI)

    Gorai, Prashun; Seebauer, Edmund G.

    2014-07-14

    The spatial distribution of point defects near semiconductor surfaces affects the efficiency of devices. Near-surface band bending generates electric fields that influence the spatial redistribution of charged mobile defects that exchange infrequently with the lattice, as recently demonstrated for pile-up of isotopic oxygen near rutile TiO{sub 2} (110). The present work derives a mathematical model to describe such redistribution and establishes its temporal dependence on defect injection rate and band bending. The model shows that band bending of only a few meV induces significant redistribution, and that the direction of the electric field governs formation of either a valley or a pile-up.

  17. Simplified predictive models for CO2 sequestration performance assessment

    SciTech Connect (OSTI)

    Mishra, Srikanta; Ganesh, Priya; Schuetter, Jared; He, Jincong; Jin, Zhaoyang; Durlofsky, Louis J.

    2015-09-30

    CO2 sequestration in deep saline formations is increasingly being considered as a viable strategy for the mitigation of greenhouse gas emissions from anthropogenic sources. In this context, detailed numerical simulation based models are routinely used to understand key processes and parameters affecting pressure propagation and buoyant plume migration following CO2 injection into the subsurface. As these models are data and computation intensive, the development of computationally-efficient alternatives to conventional numerical simulators has become an active area of research. Such simplified models can be valuable assets during preliminary CO2 injection project screening, serve as a key element of probabilistic system assessment modeling tools, and assist regulators in quickly evaluating geological storage projects. We present three strategies for the development and validation of simplified modeling approaches for CO2 sequestration in deep saline formations: (1) simplified physics-based modeling, (2) statisticallearning based modeling, and (3) reduced-order method based modeling. In the first category, a set of full-physics compositional simulations is used to develop correlations for dimensionless injectivity as a function of the slope of the CO2 fractional-flow curve, variance of layer permeability values, and the nature of vertical permeability arrangement. The same variables, along with a modified gravity number, can be used to develop a correlation for the total storage efficiency within the CO2 plume footprint. Furthermore, the dimensionless average pressure buildup after the onset of boundary effects can be correlated to dimensionless time, CO2 plume footprint, and storativity contrast between the reservoir and caprock. In the second category, statistical “proxy models” are developed using the simulation domain described previously with two approaches: (a) classical Box-Behnken experimental design with a quadratic response surface, and (b) maximin

  18. Expansion Hamiltonian model for a diatomic molecule adsorbed on a surface: Vibrational states of the CO/Cu(100) system including surface vibrations

    SciTech Connect (OSTI)

    Meng, Qingyong; Meyer, Hans-Dieter

    2015-10-28

    Molecular-surface studies are often done by assuming a corrugated, static (i.e., rigid) surface. To be able to investigate the effects that vibrations of surface atoms may have on spectra and cross sections, an expansion Hamiltonian model is proposed on the basis of the recently reported [R. Marquardt et al., J. Chem. Phys. 132, 074108 (2010)] SAP potential energy surface (PES), which was built for the CO/Cu(100) system with a rigid surface. In contrast to other molecule-surface coupling models, such as the modified surface oscillator model, the coupling between the adsorbed molecule and the surface atoms is already included in the present expansion SAP-PES model, in which a Taylor expansion around the equilibrium positions of the surface atoms is performed. To test the quality of the Taylor expansion, a direct model, that is avoiding the expansion, is also studied. The latter, however, requests that there is only one movable surface atom included. On the basis of the present expansion and direct models, the effects of a moving top copper atom (the one to which CO is bound) on the energy levels of a bound CO/Cu(100) system are studied. For this purpose, the multiconfiguration time-dependent Hartree calculations are carried out to obtain the vibrational fundamentals and overtones of the CO/Cu(100) system including a movable top copper atom. In order to interpret the results, a simple model consisting of two coupled harmonic oscillators is introduced. From these calculations, the vibrational levels of the CO/Cu(100) system as function of the frequency of the top copper atom are discussed.

  19. Models used to assess the performance of photovoltaic systems.

    SciTech Connect (OSTI)

    Stein, Joshua S.; Klise, Geoffrey T.

    2009-12-01

    This report documents the various photovoltaic (PV) performance models and software developed and utilized by researchers at Sandia National Laboratories (SNL) in support of the Photovoltaics and Grid Integration Department. In addition to PV performance models, hybrid system and battery storage models are discussed. A hybrid system using other distributed sources and energy storage can help reduce the variability inherent in PV generation, and due to the complexity of combining multiple generation sources and system loads, these models are invaluable for system design and optimization. Energy storage plays an important role in reducing PV intermittency and battery storage models are used to understand the best configurations and technologies to store PV generated electricity. Other researcher's models used by SNL are discussed including some widely known models that incorporate algorithms developed at SNL. There are other models included in the discussion that are not used by or were not adopted from SNL research but may provide some benefit to researchers working on PV array performance, hybrid system models and energy storage. The paper is organized into three sections to describe the different software models as applied to photovoltaic performance, hybrid systems, and battery storage. For each model, there is a description which includes where to find the model, whether it is currently maintained and any references that may be available. Modeling improvements underway at SNL include quantifying the uncertainty of individual system components, the overall uncertainty in modeled vs. measured results and modeling large PV systems. SNL is also conducting research into the overall reliability of PV systems.

  20. Simulation of ultrasonic surface waves with multi-Gaussian and point source beam models

    SciTech Connect (OSTI)

    Zhao, Xinyu; Schmerr, Lester W. Jr.; Li, Xiongbing; Sedov, Alexander

    2014-02-18

    In the past decade, multi-Gaussian beam models have been developed to solve many complicated bulk wave propagation problems. However, to date those models have not been extended to simulate the generation of Rayleigh waves. Here we will combine Gaussian beams with an explicit high frequency expression for the Rayleigh wave Green function to produce a three-dimensional multi-Gaussian beam model for the fields radiated from an angle beam transducer mounted on a solid wedge. Simulation results obtained with this model are compared to those of a point source model. It is shown that the multi-Gaussian surface wave beam model agrees well with the point source model while being computationally much more efficient.

  1. Information on Hydrologic Conceptual Models, Parameters, Uncertainty Analysis, and Data Sources for Dose Assessments at Decommissioning Sites

    SciTech Connect (OSTI)

    Meyer, Philip D.; Gee, Glendon W.; Nicholson, Thomas J.

    2000-02-28

    This report addresses issues related to the analysis of uncertainty in dose assessments conducted as part of decommissioning analyses. The analysis is limited to the hydrologic aspects of the exposure pathway involving infiltration of water at the ground surface, leaching of contaminants, and transport of contaminants through the groundwater to a point of exposure. The basic conceptual models and mathematical implementations of three dose assessment codes are outlined along with the site-specific conditions under which the codes may provide inaccurate, potentially nonconservative results. In addition, the hydrologic parameters of the codes are identified and compared. A methodology for parameter uncertainty assessment is outlined that considers the potential data limitations and modeling needs of decommissioning analyses. This methodology uses generic parameter distributions based on national or regional databases, sensitivity analysis, probabilistic modeling, and Bayesian updating to incorporate site-specific information. Data sources for best-estimate parameter values and parameter uncertainty information are also reviewed. A follow-on report will illustrate the uncertainty assessment methodology using decommissioning test cases.

  2. Erosion Resistance Index (ERI) to Assess Surface Stability in Desert Environments

    SciTech Connect (OSTI)

    Hamada, Yuki; Grippo, Mark A.

    2015-11-01

    A new spectral index—erosion resistance index (ERI)—was developed to assess erosion risks in desert landscapes. The index was developed by applying trigonometry to the combination of the green/red band-ratio and the red/near infrared band-ratio from very high spatial resolution imagery. The resultant ERI maps showed spatially cohesive distributions of high and low index values across the study areas. High index values were observed over areas that were resistant to erosion (such as desert pavement and dense vegetation), while low index values overlapped with areas likely dominated by loose sandy soils, such as stream beds and access roads. Although further investigation is warranted, this new index, ERI, shows promise for the assessment of erosion risks in desert regions.

  3. Final Report DE-EE0005380 Assessment of Offshore Wind Farm Effects on Sea Surface, Subsurface and Airborne Electronic Systems

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

    UNIVERSITY OF TEXAS AT AUSTIN Final Report DE-EE0005380 Assessment of Offshore Wind Farm Effects on Sea Surface, Subsurface and Airborne Electronic Systems Prepared for: U.S. Department of Energy Prepared by: Hao Ling (UT) Mark F. Hamilton (ARL:UT) Rajan Bhalla (SAIC) Walter E. Brown (ARL:UT) Todd A. Hay (ARL:UT) Nicholas J. Whitelonis (UT) Shang-Te Yang (UT) Aale R. Naqvi (UT) 9/30/2013 DE-EE0005380 The University of Texas at Austin ii Notice and Disclaimer This report is being disseminated by

  4. Hybrid LCA model for assessing the embodied environmental impacts of buildings in South Korea

    SciTech Connect (OSTI)

    Jang, Minho; Hong, Taehoon; Ji, Changyoon

    2015-01-15

    The assessment of the embodied environmental impacts of buildings can help decision-makers plan environment-friendly buildings and reduce environmental impacts. For a more comprehensive assessment of the embodied environmental impacts of buildings, a hybrid life cycle assessment model was developed in this study. The developed model can assess the embodied environmental impacts (global warming, ozone layer depletion, acidification, eutrophication, photochemical ozone creation, abiotic depletion, and human toxicity) generated directly and indirectly in the material manufacturing, transportation, and construction phases. To demonstrate the application and validity of the developed model, the environmental impacts of an elementary school building were assessed using the developed model and compared with the results of a previous model used in a case study. The embodied environmental impacts from the previous model were lower than those from the developed model by 4.6–25.2%. Particularly, human toxicity potential (13 kg C{sub 6}H{sub 6} eq.) calculated by the previous model was much lower (1965 kg C{sub 6}H{sub 6} eq.) than what was calculated by the developed model. The results indicated that the developed model can quantify the embodied environmental impacts of buildings more comprehensively, and can be used by decision-makers as a tool for selecting environment-friendly buildings. - Highlights: • The model was developed to assess the embodied environmental impacts of buildings. • The model evaluates GWP, ODP, AP, EP, POCP, ADP, and HTP as environmental impacts. • The model presents more comprehensive results than the previous model by 4.6–100%. • The model can present the HTP of buildings, which the previous models cannot do. • Decision-makers can use the model for selecting environment-friendly buildings.

  5. Models Used to Assess the Performance of Photovoltaic Systems

    Office of Energy Efficiency and Renewable Energy (EERE)

    This report documents the various photovoltaic (PV) performance models and software developed and utilized by researchers at Sandia National Laboratories (SNL) in support of the Photovoltaics and Grid Integration Department. In addition to PV performance models, hybrid system and battery storage models are discussed. A hybrid system using other distributed sources and energy storage can help reduce the variability inherent in PV generation, and due to the complexity of combining multiple generation sources and system loads, these models are invaluable for system design and optimization.

  6. A new analytic-adaptive model for EGS assessment, development...

    Open Energy Info (EERE)

    ability to quantitative test hypotheses for new EGS designs and technologies, as well as reservoir sustainability modeling. Funding Source American Recovery and Reinvestment Act...

  7. Co-benefits Risk Assessment (COBRA) Screening Model | Open Energy...

    Open Energy Info (EERE)

    Ease of Use: Simple Website: www.epa.govstatelocalclimateresourcescobra.html Cost: Free Related Tools Applied Dynamic Analysis of the Global Economy (ADAGE) Model Simple...

  8. Sub-discretized surface model with application to contact mechanics in multi-body simulation

    SciTech Connect (OSTI)

    Johnson, S; Williams, J

    2008-02-28

    The mechanics of contact between rough and imperfectly spherical adhesive powder grains are often complicated by a variety of factors, including several which vary over sub-grain length scales. These include several traction factors that vary spatially over the surface of the individual grains, including high energy electron and acceptor sites (electrostatic), hydrophobic and hydrophilic sites (electrostatic and capillary), surface energy (general adhesion), geometry (van der Waals and mechanical), and elasto-plastic deformation (mechanical). For mechanical deformation and reaction, coupled motions, such as twisting with bending and sliding, as well as surface roughness add an asymmetry to the contact force which invalidates assumptions for popular models of contact, such as the Hertzian and its derivatives, for the non-adhesive case, and the JKR and DMT models for adhesive contacts. Though several contact laws have been offered to ameliorate these drawbacks, they are often constrained to particular loading paths (most often normal loading) and are relatively complicated for computational implementation. This paper offers a simple and general computational method for augmenting contact law predictions in multi-body simulations through characterization of the contact surfaces using a hierarchically-defined surface sub-discretization. For the case of adhesive contact between powder grains in low stress regimes, this technique can allow a variety of existing contact laws to be resolved across scales, allowing for moments and torques about the contact area as well as normal and tangential tractions to be resolved. This is especially useful for multi-body simulation applications where the modeler desires statistical distributions and calibration for parameters in contact laws commonly used for resolving near-surface contact mechanics. The approach is verified against analytical results for the case of rough, elastic spheres.

  9. Measurements and modeling of surface waves in drilled shafts in rock

    SciTech Connect (OSTI)

    Kalinski, M.E.; Stokoe, K.H. II; Roesset, J.M.; Cheng, D.S.

    1999-07-01

    Seismic testing was conducted in the WIPP facility in November 1994 by personnel from the Geotechnical Engineering Center at the University of Texas at Austin. Surface wave measurements were made in horizontal drilled shafts in rock salt to characterize the stiffness of the rock around the shafts. The Spectral-Analysis-of-Surface-Waves (SASW) method was used to determine dispersion curves of surface wave velocity versus wavelength. Dispersion curves were measured for surface waves propagating axially and circumferentially in the shafts. Surface wave velocities determined from axial testing increased slightly with increasing wavelength due to the cylindrical geometry of the shafts. On the other hand, surface wave velocities determined from circumferential testing exhibited a completely different type of geometry-induced dispersion. In both instances, finite-element forward modeling of the experimental dispersion curves revealed the presence of a thin, slightly softer disturbed rock zone (DRZ) around the shafts. This phenomenon has been previously confirmed by crosshole and other seismic measurements and is generally associated with relaxation of the individual salt crystals after confirming stress is relieved by excavation.

  10. Response Surface Energy Modeling of an Electric Vehicle over a Reduced Composite Drive Cycle

    SciTech Connect (OSTI)

    Jehlik, Forrest; LaClair, Tim J.

    2014-04-01

    Response surface methodology (RSM) techniques were applied to develop a predictive model of electric vehicle (EV) energy consumption over the Environmental Protection Agency's (EPA) standardized drive cycles. The model is based on measurements from a synthetic composite drive cycle. The synthetic drive cycle is a minimized statistical composite of the standardized urban (UDDS), highway (HWFET), and US06 cycles. The composite synthetic drive cycle is 20 minutes in length thereby reducing testing time of the three standard EPA cycles by over 55%. Vehicle speed and acceleration were used as model inputs for a third order least squared regression model predicting vehicle battery power output as a function of the drive cycle. The approach reduced three cycles and 46 minutes of drive time to a single test of 20 minutes. Application of response surface modeling to the synthetic drive cycle is shown to predict energy consumption of the three EPA cycles within 2.6% of the actual measured values. Additionally, the response model may be used to predict energy consumption of any cycle within the speed/acceleration envelope of the synthetic cycle. This technique results in reducing test time, which additionally provides a model that may be used to expand the analysis and understanding of the vehicle under consideration.

  11. Assessment of Combustion and Turbulence Models for the Simulation...

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

    Various applied combustion and turbulence models were investigated along with chemical kinetic mechanisms simulating a biodiesel-fueled engine deer09ren.pdf (497.22 KB) More ...

  12. Conceptual design of an integrated technology model for carbon policy assessment.

    SciTech Connect (OSTI)

    Backus, George A.; Dimotakes, Paul E.

    2011-01-01

    This report describes the conceptual design of a technology choice model for understanding strategies to reduce carbon intensity in the electricity sector. The report considers the major modeling issues affecting technology policy assessment and defines an implementable model construct. Further, the report delineates the basis causal structure of such a model and attempts to establish the technical/algorithmic viability of pursuing model development along with the associated analyses.

  13. SU-E-J-171: Surface Imaging Based Intrafraction Motion Assessments for Whole Brain Radiotherapy

    SciTech Connect (OSTI)

    Wiant, D; Vanderstraeten, C; Maurer, J; Pursley, J; Terrell, J; Sintay, B

    2014-06-01

    Purpose: To quantify and characterize intrafraction motion for whole brain radiotherapy treatments in open face masks using 3D surface imaging. Methods: Fifteen whole brain patients were monitored with 3D surface imaging over a total of 202 monitoring sessions. Mean translations and rotations were calculated over each minute, each session, and over all sessions combined. The percentage of each session that the root mean square (RMS) of the linear translations were outside of 2 mm, 3 mm, 4 mm, and 5 mm were determined for each patient. Correlations between mean translations per minute and time and between standard deviation per minute and time were evaluated using Pearson's r value. Results: The mean RMS translation averaged over all patients was 1.45 mm +/− 1.52 mm. The patients spent an average of 18%, 10%, 6%, and 3% of the monitoring time outside of 2 mm, 3 mm, 4 mm, and 5 mm RMS tolerances, respectively. The RMS values averaged over all patients were 1.31 mm +/− 0.98 mm, 1.52 +/- 1.04, and 1.30 mm +/− 0.71 mm over the 1th, 5th, and 10th minutes of monitoring, respectively. Neither, the RMS values (p = 0.15) or the standard deviations of the RMS values (p = 0.16) showed significant correlations with time. Conclusion: The patients were positioned within 2 mm of isocenter, which was the initial set-up tolerance, for the majority of their treatments. The average position changed by < 0.3 mm over 10 minutes of monitoring. Short term movements, reflected by the standard deviations, where on the order of 1 mm. This immobilization system provides adequate immobilization over a course of treatment for whole brain radiotherapy. This system may also be suitable for head and neck or stereotactic radiosurgery treatments as well.

  14. Assessment of the accuracy of plasma shape reconstruction by the Cauchy condition surface method in JT-60SA

    SciTech Connect (OSTI)

    Miyata, Y.; Suzuki, T.; Takechi, M.; Urano, H.; Ide, S.

    2015-07-15

    For the purpose of stable plasma equilibrium control and detailed analysis, it is essential to reconstruct an accurate plasma boundary on the poloidal cross section in tokamak devices. The Cauchy condition surface (CCS) method is a numerical approach for calculating the spatial distribution of the magnetic flux outside a hypothetical surface and reconstructing the plasma boundary from the magnetic measurements located outside the plasma. The accuracy of the plasma shape reconstruction has been assessed by comparing the CCS method and an equilibrium calculation in JT-60SA with a high elongation and triangularity of plasma shape. The CCS, on which both Dirichlet and Neumann conditions are unknown, is defined as a hypothetical surface located inside the real plasma region. The accuracy of the plasma shape reconstruction is sensitive to the CCS free parameters such as the number of unknown parameters and the shape in JT-60SA. It is found that the optimum number of unknown parameters and the size of the CCS that minimizes errors in the reconstructed plasma shape are in proportion to the plasma size. Furthermore, it is shown that the accuracy of the plasma shape reconstruction is greatly improved using the optimum number of unknown parameters and shape of the CCS, and the reachable reconstruction errors in plasma shape and locations of strike points are within the target ranges in JT-60SA.

  15. Modified two-fluid model of conductivity for superconducting surface resistance calculation. Master's thesis

    SciTech Connect (OSTI)

    Linden, D.S.

    1993-05-01

    The traditional two-fluid model of superconducting conductivity was modified to make it accurate, while remaining fast, for designing and simulating microwave devices. The modification reflects the BCS coherence effects in the conductivity of a superconductor, and is incorporated through the ratio of normal to superconducting electrons. This modified ratio is a simple analytical expression which depends on frequency, temperature and material parameters. This modified two-fluid model allows accurate and rapid calculation of the microwave surface impedance of a superconductor in the clean and dirty limits and in the weak- and strong-coupled regimes. The model compares well with surface resistance data for Nb and provides insight into Nb3Sn and Y1Ba2Cu3O(7-delta). Numerical calculations with the modified two-fluid model are an order of magnitude faster than the quasi-classical program by Zimmermann (1), and two to five orders of magnitude faster than Halbritter's BCS program (2) for surface resistance.

  16. Modeling tropical Pacific sea surface temperature with satellite-derived solar radiative forcing

    SciTech Connect (OSTI)

    Seager, R.; Blumenthal, M.B.

    1994-12-01

    Two independent datasets for the solar radiation at the surface derived from satellites are compared. The data derived from the Earth Radiation Budget Experiment (ERBE) is for the net solar radiation at the surface whereas the International Satellite Cloud Climatology Project (ISCCP) data is for the downward flux only and was corrected with a space- and time-varying albedo. The ISCCP net flux is at all times higher than the ERBE flux. The difference can be divided into an offset that decreases with latitude and another component that correlates with high tropical cloud cover. With this latter exception the two datasets provide spatial patterns of solar flux that are very similar. A tropical Pacific Ocean model is forced with these two datasets and observed climatological winds. The upward heat flux is parameterized taking into account separately the longwave radiative, latent, and sensible heat fluxes. Best fit values for the uncertain parameters are found using an optimization procedure that seeks to minimize the difference between model and observed SST by varying the parameters within a reasonable range of uncertainty. The SST field the model produces with the best fit parameters is the best the model can do. If the differences between the model and data are larger than can be accounted for by remaining uncertainties in the heat flux parameterization and forcing data then the ocean model must be held to be at fault. Using this method of analysis, a fundamental model fault is identified. Inadequate treatment of mixed layer/entrainment processes in upwelling regions of the eastern tropical Pacific leads to a large and seasonally varying error in the model SST. Elsewhere the model SST is insufficiently different from observed to be able to identify model errors.

  17. Probabilistic performance-assessment modeling of the mixed waste landfill at Sandia National Laboratories.

    SciTech Connect (OSTI)

    Peace, Gerald L.; Goering, Timothy James; Miller, Mark Laverne; Ho, Clifford Kuofei

    2005-11-01

    A probabilistic performance assessment has been conducted to evaluate the fate and transport of radionuclides (americium-241, cesium-137, cobalt-60, plutonium-238, plutonium-239, radium-226, radon-222, strontium-90, thorium-232, tritium, uranium-238), heavy metals (lead and cadmium), and volatile organic compounds (VOCs) at the Mixed Waste Landfill (MWL). Probabilistic analyses were performed to quantify uncertainties inherent in the system and models for a 1,000-year period, and sensitivity analyses were performed to identify parameters and processes that were most important to the simulated performance metrics. Comparisons between simulated results and measured values at the MWL were made to gain confidence in the models and perform calibrations when data were available. In addition, long-term monitoring requirements and triggers were recommended based on the results of the quantified uncertainty and sensitivity analyses. At least one-hundred realizations were simulated for each scenario defined in the performance assessment. Conservative values and assumptions were used to define values and distributions of uncertain input parameters when site data were not available. Results showed that exposure to tritium via the air pathway exceeded the regulatory metric of 10 mrem/year in about 2% of the simulated realizations when the receptor was located at the MWL (continuously exposed to the air directly above the MWL). Simulations showed that peak radon gas fluxes exceeded the design standard of 20 pCi/m{sup 2}/s in about 3% of the realizations if up to 1% of the containers of sealed radium-226 sources were assumed to completely degrade in the future. If up to 100% of the containers of radium-226 sources were assumed to completely degrade, 30% of the realizations yielded radon surface fluxes that exceeded the design standard. For the groundwater pathway, simulations showed that none of the radionuclides or heavy metals (lead and cadmium) reached the groundwater during

  18. An assessment of possible climate change in the Australian region based on intercomparison of general circulation modeling results

    SciTech Connect (OSTI)

    Whetton, P.H.; Pittock, A.B.; Haylock, M.R. ); Rayner, P.J. )

    1994-03-01

    To assist in estimating likely future climate change in the Australian region, the authors examine the results of four different general circulation modeling experiments run to assess the equilibrium impact of doubling greenhouse gases. The results examined were the most recent available at the time of study from various research centers in North America and Europe, as well as those of the Commonwealth Scientific and Industrial Research Organisation (CSIRO). The approach used is, first, to assess the quality of the control (1 x CO[sub 2]) simulations from each of the models of mean sea level (MSL) pressure and precipitation in the Australian region by comparing these with the corresponding observed patterns; and, second, to then analyze the 2 x CO[sub 2] results of only those model experiments with the best control simulations. Of the models examined two are chosen on the basis of their simulation of current climate in the region: the CSIRO four-level model (CSIRO4) and the United Kingdom Meteorological Office (UKMO) model. For conditions of equivalent doubling of CO[sub 2], both models show substantial increases in surface air temperature of around 4[degrees]-6[degrees] inland and 2[degrees]-4[degrees]C in coastal regions. Both models show decreased MSL pressure over the Australian continent and increases in rainfall over northern, central, and eastern Australia, particularly in the summer half of the year. The CSIRO4 model, but not the UKMO model, also shows increased pressure to the south of the continent and decreased winter rainfall in southwest and southern Australia. Generally, field significance tests show the pattern and magnitude of the changes to be significant of CSIRO4 (for which the necessary monthly simulated data were available). 42 refs., 20 figs., 5 tabs.

  19. As-Built Modeling of Ojbects for Performance Assessment

    SciTech Connect (OSTI)

    Kokko, E J; Martz, H E; Chinn, D J; Childs, H R; Jackson, J A; Chambers, D H; Schneberk, D J; Clark, G A

    2005-09-12

    The goal of ''as-built'' computational modeling is to incorporate the most representative geometry and material information for an (fabricated or legacy) object into simulations. While most engineering finite element simulations are based on an object's idealized ''as-designed'' configuration with information obtained from technical drawings or computer-aided design models, ''as-built'' modeling uses nondestructive characterization and metrology techniques to provide the feature information. By incorporating more representative geometry and material features as initial conditions, the uncertainty in the simulation results can be reduced, providing a more realistic understanding of the event and object being modeled. In this paper, key steps and technology areas in the as-built modeling framework are: (1) inspection using non-destructive characterization (NDC) and metrology techniques; (2) data reduction (signal and image processing including artifact removal, data sensor fusion, and geometric feature extraction); and (3) engineering and physics analysis using finite element codes. We illustrate the process with a cylindrical phantom and include a discussion of the key concepts and areas that need improvement. Our results show that reasonable as-built initial conditions based on a volume overlap criteria can be achieved and that notable differences between simulations of the as-built and as-designed configurations can be observed for a given load case. Specifically, a volume averaged difference of accumulated plastic strain of 3% and local spatially varying differences up to 10%. The example presented provides motivation and justification to engineering teams for the additional effort required in the as-built modeling of high value parts. Further validation of the approach has been proposed as future work.

  20. Atomic imaging and modeling of H{sub 2}O{sub 2}(g) surface passivation, functionalization, and atomic layer deposition nucleation on the Ge(100) surface

    SciTech Connect (OSTI)

    Kaufman-Osborn, Tobin; Chagarov, Evgueni A.; Kummel, Andrew C.

    2014-05-28

    Passivation, functionalization, and atomic layer deposition nucleation via H{sub 2}O{sub 2}(g) and trimethylaluminum (TMA) dosing was studied on the clean Ge(100) surface at the atomic level using scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS). Chemical analysis of the surface was performed using x-ray photoelectron spectroscopy, while the bonding of the precursors to the substrate was modeled with density functional theory (DFT). At room temperature, a saturation dose of H{sub 2}O{sub 2}(g) produces a monolayer of a mixture of OH or O species bonded to the surface. STS confirms that H{sub 2}O{sub 2}(g) dosing eliminates half-filled dangling bonds on the clean Ge(100) surface. Saturation of the H{sub 2}O{sub 2}(g) dosed Ge(100) surface with TMA followed by a 200?C anneal produces an ordered monolayer of thermally stable GeOAl bonds. DFT models and STM simulations provide a consistent model of the bonding configuration of the H{sub 2}O{sub 2}(g) and TMA dosed surfaces. STS verifies the TMA/H{sub 2}O{sub 2}/Ge surface has an unpinned Fermi level with no states in the bandgap demonstrating the ability of a GeOAl monolayer to serve as an ideal template for further high-k deposition.

  1. A variational model of disjoining pressure: Liquid film on a nonplanar surface

    SciTech Connect (OSTI)

    Silin, D.; Virnovsky, G.

    2009-06-01

    Variational methods have been successfully used in modelling thin liquid films in numerous theoretical studies of wettability. In this paper, the variational model of the disjoining pressure is extended to the general case of a two-dimensional solid surface. The Helmgoltz free energy functional depends both on the disjoining pressure isotherm and the shape of the solid surface. The augmented Young-Laplace equation (AYLE) is a nonlinear second-order partial differential equation. A number of solutions describing wetting films on spherical grains have been obtained. In the case of cylindrical films, the phase portrait technique describes the entire variety of mathematically feasible solutions. It turns out that a periodic solution, which would describe wave-like wetting films, does not satisfy the Jacobi's condition of the classical calculus of variations. Therefore, such a solution is nonphysical. The roughness of the solid surface significantly affects liquid film stability. AYLE solutions suggest that film rupture is more likely at a location where the pore-wall surface is most exposed into the pore space and the curvature is positive.

  2. Utility of Social Modeling in Assessment of a State’s Propensity for Nuclear Proliferation

    SciTech Connect (OSTI)

    Coles, Garill A.; Brothers, Alan J.; Whitney, Paul D.; Dalton, Angela C.; Olson, Jarrod; White, Amanda M.; Cooley, Scott K.; Youchak, Paul M.; Stafford, Samuel V.

    2011-06-01

    This report is the third and final report out of a set of three reports documenting research for the U.S. Department of Energy (DOE) National Security Administration (NASA) Office of Nonproliferation Research and Development NA-22 Simulations, Algorithms, and Modeling program that investigates how social modeling can be used to improve proliferation assessment for informing nuclear security, policy, safeguards, design of nuclear systems and research decisions. Social modeling has not to have been used to any significant extent in a proliferation studies. This report focuses on the utility of social modeling as applied to the assessment of a State's propensity to develop a nuclear weapons program.

  3. Greenland ice sheet surface mass-balance modeling in a 131-year perspective, 1950-2080

    SciTech Connect (OSTI)

    Mernild, Sebastian Haugard; Liston, Glen; Hiemstra, Christopher; Christensen, Jens

    2009-01-01

    Fluctuations in the Greenland Ice Sheet (GrIS) surface mass-balance (SMB) and freshwater influx to the surrounding oceans closely follow climate fluctuations and are of considerable importance to the global eustatic sea level rise. SnowModel, a state-of-the-art snow-evolution modeling system, was used to simulate variations in the GrIS melt extent, surface water balance components, changes in SMB, and freshwater influx to the ocean. The simulations are based on the IPCC scenario AlB modeled by the HIRHAM4 RCM (using boundary conditions from ECHAM5 AOGCM) from 1950 through 2080. In-situ meteorological station (GC-Net and WMO DMI) observations from inside and outside the GrIS were used to validate and correct RCM output data before it was used as input for SnowModel. Satellite observations and independent SMB studies were used to validate the SnowModel output and confirm the model's robustness. We simulated a {approx}90% increase in end-of-summer surface melt extent (0.483 x 10{sup 6} km{sup 2}) from 1950 to 2080, and a melt index (above 2,000-m elevation) increase of 138% (1.96 x 10{sup 6} km{sup 2} x days). The greatest difference in melt extent occured in the southern part of the GrIS, and the greatest changes in the number of melt days was seen in the eastern part of the GrIS ({approx}50-70%) and was lowest in the west ({approx}20-30%). The rate of SMB loss, largely tied to changes in ablation processes, lead to an enhanced average loss of 331 km{sup 3} from 1950 to 2080, an average 5MB level of -99 km{sup 3} for the period 2070-2080. GrIS surface freshwater runoff yielded an eustatic rise in sea level from 0.8 {+-} 0.1 (1950-1959) to 1.9 {+-} 0.1 mm (2070-2080) sea level equivalent (SLE) y{sup -1}. The accumulated GrIS freshwater runoff contribution from surface melting equaled 160 mm SLE from 1950 through 2080.

  4. Climate Change Modeling and Downscaling Issues and Methodological Perspectives for the U.S. National Climate Assessment

    SciTech Connect (OSTI)

    Janetos, Anthony C.; Collins, William D.; Wuebbles, D.J.; Diffenbaugh, Noah; Hayhoe, Katharine; Hibbard, Kathleen A.; Hurtt, George

    2012-03-31

    This is the full workshop report for the modeling workshop we did for the National Climate Assessment, with DOE support.

  5. Modeling and Analysis of The Pressure Die Casting Using Response Surface Methodology

    SciTech Connect (OSTI)

    Kittur, Jayant K.; Herwadkar, T. V. [KLS Gogte Institute of Technology, Belgaum -590 008, Karnataka (India); Parappagoudar, M. B. [Chhatrapati Shivaji Institute of Technology, Durg (C.G)-491001 (India)

    2010-10-26

    Pressure die casting is successfully used in the manufacture of Aluminum alloys components for automobile and many other industries. Die casting is a process involving many process parameters having complex relationship with the quality of the cast product. Though various process parameters have influence on the quality of die cast component, major influence is seen by the die casting machine parameters and their proper settings. In the present work, non-linear regression models have been developed for making predictions and analyzing the effect of die casting machine parameters on the performance characteristics of die casting process. Design of Experiments (DOE) with Response Surface Methodology (RSM) has been used to analyze the effect of effect of input parameters and their interaction on the response and further used to develop nonlinear input-output relationships. Die casting machine parameters, namely, fast shot velocity, slow shot to fast shot change over point, intensification pressure and holding time have been considered as the input variables. The quality characteristics of the cast product were determined by porosity, hardness and surface rough roughness (output/responses). Design of experiments has been used to plan the experiments and analyze the impact of variables on the quality of casting. On the other-hand Response Surface Methodology (Central Composite Design) is utilized to develop non-linear input-output relationships (regression models). The developed regression models have been tested for their statistical adequacy through ANOVA test. The practical usefulness of these models has been tested with some test cases. These models can be used to make the predictions about different quality characteristics, for the known set of die casting machine parameters, without conducting the experiments.

  6. Development of a Composite Non-Electrostatic Surface Complexation Model Describing Plutonium Sorption to Aluminosilicates

    SciTech Connect (OSTI)

    Powell, B A; Kersting, A; Zavarin, M; Zhao, P

    2008-10-28

    Due to their ubiquity in nature and chemical reactivity, aluminosilicate minerals play an important role in retarding actinide subsurface migration. However, very few studies have examined Pu interaction with clay minerals in sufficient detail to produce a credible mechanistic model of its behavior. In this work, Pu(IV) and Pu(V) interactions with silica, gibbsite (Aloxide), and Na-montmorillonite (smectite clay) were examined as a function of time and pH. Sorption of Pu(IV) and Pu(V) to gibbsite and silica increased with pH (4 to 10). The Pu(V) sorption edge shifted to lower pH values over time and approached that of Pu(IV). This behavior is apparently due to surface mediated reduction of Pu(V) to Pu(IV). Surface complexation constants describing Pu(IV)/Pu(V) sorption to aluminol and silanol groups were developed from the silica and gibbsite sorption experiments and applied to the montmorillonite dataset. The model provided an acceptable fit to the montmorillonite sorption data for Pu(V). In order to accurately predict Pu(IV) sorption to montmorillonite, the model required inclusion of ion exchange. The objective of this work is to measure the sorption of Pu(IV) and Pu(V) to silica, gibbsite, and smectite (montmorillonite). Aluminosilicate minerals are ubiquitous at the Nevada National Security Site and improving our understanding of Pu sorption to aluminosilicates (smectite clays in particular) is essential to the accurate prediction of Pu transport rates. These data will improve the mechanistic approach for modeling the hydrologic source term (HST) and provide sorption Kd parameters for use in CAU models. In both alluvium and tuff, aluminosilicates have been found to play a dominant role in the radionuclide retardation because their abundance is typically more than an order of magnitude greater than other potential sorbing minerals such as iron and manganese oxides (e.g. Vaniman et al., 1996). The sorption database used in recent HST models (Carle et al., 2006

  7. Baseline Assessment of TREAT for Modeling and Analysis Needs

    SciTech Connect (OSTI)

    Bess, John Darrell; DeHart, Mark David

    2015-10-01

    TREAT is an air-cooled, graphite moderated, thermal, heterogeneous test facility designed to evaluate reactor fuels and structural materials under conditions simulating various types of nuclear excursions and transient undercooling situations that could occur in a nuclear reactor. After 21 years in a standby mode, TREAT is being re-activated to revive transient testing capabilities. Given the time elapsed and the concurrent loss of operating experience, current generation and advanced computational methods are being applied to begin TREAT modeling and simulation prior to renewed at-power operations. Such methods have limited value in predicting the behavior of TREAT without proper validation. Hence, the U.S. DOE has developed a number of programs to support development of benchmarks for both critical and transient operations. Extensive effort has been expended at INL to collect detailed descriptions, drawings and specifications for all aspects of TREAT, and to resolve conflicting data found through this process. This report provides a collection of these data, with updated figures that are significantly more readable than historic drawings and illustrations, compositions, and dimensions based on the best available sources. This document is not nor should it be considered to be a benchmark report. Rather, it is intended to provide one-stop shopping, to the extent possible, for other work that seeks to prepare detailed, accurate models of the core and its components. Given the nature of the variety of historic documents available and the loss of institutional memory, the only completely accurate database of TREAT data is TREAT itself. Unfortunately, disassembly of TREAT for inspection, assay, and measurement is highly unlikely. Hence the data provided herein is intended serve as a best-estimate substitute.

  8. Computational Modeling and Assessment Of Nanocoatings for Ultra Supercritical Boilers

    SciTech Connect (OSTI)

    David W. Gandy; John P. Shingledecker

    2011-04-11

    Forced outages and boiler unavailability in conventional coal-fired fossil power plants is most often caused by fireside corrosion of boiler waterwalls. Industry-wide, the rate of wall thickness corrosion wastage of fireside waterwalls in fossil-fired boilers has been of concern for many years. It is significant that the introduction of nitrogen oxide (NOx) emission controls with staged burners systems has increased reported waterwall wastage rates to as much as 120 mils (3 mm) per year. Moreover, the reducing environment produced by the low-NOx combustion process is the primary cause of accelerated corrosion rates of waterwall tubes made of carbon and low alloy steels. Improved coatings, such as the MCrAl nanocoatings evaluated here (where M is Fe, Ni, and Co), are needed to reduce/eliminate waterwall damage in subcritical, supercritical, and ultra-supercritical (USC) boilers. The first two tasks of this six-task project-jointly sponsored by EPRI and the U.S. Department of Energy (DE-FC26-07NT43096)-have focused on computational modeling of an advanced MCrAl nanocoating system and evaluation of two nanocrystalline (iron and nickel base) coatings, which will significantly improve the corrosion and erosion performance of tubing used in USC boilers. The computational model results showed that about 40 wt.% is required in Fe based nanocrystalline coatings for long-term durability, leading to a coating composition of Fe-25Cr-40Ni-10 wt.% Al. In addition, the long term thermal exposure test results further showed accelerated inward diffusion of Al from the nanocrystalline coatings into the substrate. In order to enhance the durability of these coatings, it is necessary to develop a diffusion barrier interlayer coating such TiN and/or AlN. The third task 'Process Advanced MCrAl Nanocoating Systems' of the six-task project jointly sponsored by the Electric Power Research Institute, EPRI and the U.S. Department of Energy (DE-FC26-07NT43096)- has focused on processing of

  9. Geomechanical modeling of reservoir compaction, surface subsidence, and casing damage at the Belridge diatomite field

    SciTech Connect (OSTI)

    FREDRICH,JOANNE T.; DEITRICK,G.L.; ARGUELLO JR.,JOSE G.; DEROUFFIGNAC,E.P.

    2000-05-01

    Geologic, and historical well failure, production, and injection data were analyzed to guide development of three-dimensional geomechanical models of the Belridge diatomite field, California. The central premise of the numerical simulations is that spatial gradients in pore pressure induced by production and injection in a low permeability reservoir may perturb the local stresses and cause subsurface deformation sufficient to result in well failure. Time-dependent reservoir pressure fields that were calculated from three-dimensional black oil reservoir simulations were coupled uni-directionally to three-dimensional non-linear finite element geomechanical simulations. The reservoir models included nearly 100,000 gridblocks (100--200 wells), and covered nearly 20 years of production and injection. The geomechanical models were meshed from structure maps and contained more than 300,000 nodal points. Shear strain localization along weak bedding planes that causes casing dog-legs in the field was accommodated in the model by contact surfaces located immediately above the reservoir and at two locations in the overburden. The geomechanical simulations are validated by comparison of the predicted surface subsidence with field measurements, and by comparison of predicted deformation with observed casing damage. Additionally, simulations performed for two independently developed areas at South Belridge, Sections 33 and 29, corroborate their different well failure histories. The simulations suggest the three types of casing damage observed, and show that although water injection has mitigated surface subsidence, it can, under some circumstances, increase the lateral gradients in effective stress, that in turn can accelerate subsurface horizontal motions. Geomechanical simulation is an important reservoir management tool that can be used to identify optimal operating policies to mitigate casing damage for existing field developments, and applied to incorporate the effect of

  10. EERE Success Story-MA3T Model Application at ORNL Assesses the Future of

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

    Fuel Cell Markets | Department of Energy MA3T Model Application at ORNL Assesses the Future of Fuel Cell Markets EERE Success Story-MA3T Model Application at ORNL Assesses the Future of Fuel Cell Markets July 26, 2013 - 12:00am Addthis Leveraging funding from the Fuel Cell Technologies Office, Oak Ridge National Lab (ORNL) has developed a model for simulating the market potential of fuel cell electric vehicles (FCEV) and challenges to achieving success over time, including competition with

  11. 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.

  12. Common-Cause Failure Treatment in Event Assessment: Basis for a Proposed New Model

    SciTech Connect (OSTI)

    Dana Kelly; Song-Hua Shen; Gary DeMoss; Kevin Coyne; Don Marksberry

    2010-06-01

    Event assessment is an application of probabilistic risk assessment in which observed equipment failures and outages are mapped into the risk model to obtain a numerical estimate of the events risk significance. In this paper, we focus on retrospective assessments to estimate the risk significance of degraded conditions such as equipment failure accompanied by a deficiency in a process such as maintenance practices. In modeling such events, the basic events in the risk model that are associated with observed failures and other off-normal situations are typically configured to be failed, while those associated with observed successes and unchallenged components are assumed capable of failing, typically with their baseline probabilities. This is referred to as the failure memory approach to event assessment. The conditioning of common-cause failure probabilities for the common cause component group associated with the observed component failure is particularly important, as it is insufficient to simply leave these probabilities at their baseline values, and doing so may result in a significant underestimate of risk significance for the event. Past work in this area has focused on the mathematics of the adjustment. In this paper, we review the Basic Parameter Model for common-cause failure, which underlies most current risk modelling, discuss the limitations of this model with respect to event assessment, and introduce a proposed new framework for common-cause failure, which uses a Bayesian network to model underlying causes of failure, and which has the potential to overcome the limitations of the Basic Parameter Model with respect to event assessment.

  13. Sorption testing and generalized composite surface complexation models for determining uranium sorption parameters at a proposed in-situ recovery site

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

    Johnson, Raymond H.; Truax, Ryan A.; Lankford, David A.; Stone, James J.

    2016-02-03

    Solid-phase iron concentrations and generalized composite surface complexation models were used to evaluate procedures in determining uranium sorption on oxidized aquifer material at a proposed U in situ recovery (ISR) site. At the proposed Dewey Burdock ISR site in South Dakota, USA, oxidized aquifer material occurs downgradient of the U ore zones. Solid-phase Fe concentrations did not explain our batch sorption test results,though total extracted Fe appeared to be positively correlated with overall measured U sorption. Batch sorption test results were used to develop generalized composite surface complexation models that incorporated the full genericsorption potential of each sample, without detailedmore » mineralogiccharacterization. The resultant models provide U sorption parameters (site densities and equilibrium constants) for reactive transport modeling. The generalized composite surface complexation sorption models were calibrated to batch sorption data from three oxidized core samples using inverse modeling, and gave larger sorption parameters than just U sorption on the measured solidphase Fe. These larger sorption parameters can significantly influence reactive transport modeling, potentially increasing U attenuation. Because of the limited number of calibration points, inverse modeling required the reduction of estimated parameters by fixing two parameters. The best-fit models used fixed values for equilibrium constants, with the sorption site densities being estimated by the inversion process. While these inverse routines did provide best-fit sorption parameters, local minima and correlated parameters might require further evaluation. Despite our limited number of proxy samples, the procedures presented provide a valuable methodology to consider for sites where metal sorption parameters are required. Furthermore, these sorption parameters can be used in reactive transport modeling to assess downgradient metal attenuation, especially when no other

  14. Analytical modeling of localized surface plasmon resonance in heterostructure copper sulfide nanocrystals

    SciTech Connect (OSTI)

    Caldwell, Andrew H.; Ha, Don-Hyung; Robinson, Richard D.; Ding, Xiaoyue

    2014-10-28

    Localized surface plasmon resonance (LSPR) in semiconductor nanocrystals is a relatively new field of investigation that promises greater tunability of plasmonic properties compared to metal nanoparticles. A novel process by which the LSPR in semiconductor nanocrystals can be altered is through heterostructure formation arising from solution-based cation exchange. Herein, we describe the development of an analytical model of LSPR in heterostructure copper sulfide-zinc sulfide nanocrystals synthesized via a cation exchange reaction between copper sulfide (Cu{sub 1.81}S) nanocrystals and Zn ions. The cation exchange reaction produces dual-interface, heterostructure nanocrystals in which the geometry of the copper sulfide phase can be tuned from a sphere to a thin disk separating symmetrically-grown sulfide (ZnS) grains. Drude model electronic conduction and Mie-Gans theory are applied to describe how the LSPR wavelength changes during cation exchange, taking into account the morphology evolution and changes to the local permittivity. The results of the modeling indicate that the presence of the ZnS grains has a significant effect on the out-of-plane LSPR mode. By comparing the results of the model to previous studies on solid-solid phase transformations of copper sulfide in these nanocrystals during cation exchange, we show that the carrier concentration is independent of the copper vacancy concentration dictated by its atomic phase. The evolution of the effective carrier concentration calculated from the model suggests that the out-of-plane resonance mode is dominant. The classical model was compared to a simplified quantum mechanical model which suggested that quantum mechanical effects become significant when the characteristic size is less than ∼8 nm. Overall, we find that the analytical models are not accurate for these heterostructured semiconductor nanocrystals, indicating the need for new model development for this emerging field.

  15. Source-term development for a contaminant plume for use by multimedia risk assessment models

    SciTech Connect (OSTI)

    Whelan, Gene ); McDonald, John P. ); Taira, Randal Y. ); Gnanapragasam, Emmanuel K.; Yu, Charley; Lew, Christine S.; Mills, William B.

    1999-12-01

    Multimedia modelers from the U.S. Environmental Protection Agency (EPA) and the U.S. Department of Energy (DOE) are collaborating to conduct a comprehensive and quantitative benchmarking analysis of four intermedia models: DOE's Multimedia Environmental Pollutant Assessment System (MEPAS), EPA's MMSOILS, EPA's PRESTO, and DOE's RESidual RADioactivity (RESRAD). These models represent typical analytically, semi-analytically, and empirically based tools that are utilized in human risk and endangerment assessments for use at installations containing radioactive and/or hazardous contaminants. Although the benchmarking exercise traditionally emphasizes the application and comparison of these models, the establishment of a Conceptual Site Model (CSM) should be viewed with equal importance. This paper reviews an approach for developing a CSM of an existing, real-world, Sr-90 plume at DOE's Hanford installation in Richland, Washington, for use in a multimedia-based benchmarking exercise bet ween MEPAS, MMSOILS, PRESTO, and RESRAD. In an unconventional move for analytically based modeling, the benchmarking exercise will begin with the plume as the source of contamination. The source and release mechanism are developed and described within the context of performing a preliminary risk assessment utilizing these analytical models. By beginning with the plume as the source term, this paper reviews a typical process and procedure an analyst would follow in developing a CSM for use in a preliminary assessment using this class of analytical tool.

  16. Surface kinetic model for isotopic and trace element fractionation during precipitation of calcite from aqueous solution

    SciTech Connect (OSTI)

    DePaolo, D.

    2010-10-15

    A surface reaction kinetic model is developed for predicting Ca isotope fractionation and metal/Ca ratios of calcite as a function of rate of precipitation from aqueous solution. The model is based on the requirements for dynamic equilibrium; i.e. proximity to equilibrium conditions is determined by the ratio of the net precipitation rate (R{sub p}) to the gross forward precipitation rate (R{sub f}), for conditions where ionic transport to the growing crystal surface is not rate-limiting. The value of R{sub p} has been experimentally measured under varying conditions, but the magnitude of R{sub f} is not generally known, and may depend on several factors. It is posited that, for systems with no trace constituents that alter the surface chemistry, R{sub f} can be estimated from the bulk far-from-equilibrium dissolution rate of calcite (R{sub b} or k{sub b}), since at equilibrium R{sub f} = R{sub b}, and R{sub p} = 0. Hence it can be inferred that R{sub f} {approx} R{sub p} + R{sub b}. The dissolution rate of pure calcite is measureable and is known to be a function of temperature and pH. At given temperature and pH, equilibrium precipitation is approached when R{sub p} (= R{sub f} - R{sub b}) << R{sub b}. For precipitation rates high enough that R{sub p} >> R{sub b}, both isotopic and trace element partitioning are controlled by the kinetics of ion attachment to the mineral surface, which tend to favor more rapid incorporation of the light isotopes of Ca and discriminate weakly between trace metals and Ca. With varying precipitation rate, a transition region between equilibrium and kinetic control occurs near R{sub p} {approx} R{sub b} for Ca isotopic fractionation. According to this model, Ca isotopic data can be used to estimate R{sub f} for calcite precipitation. Mechanistic models for calcite precipitation indicate that the molecular exchange rate is not constant at constant T and pH, but rather is dependent also on solution saturation state and hence R{sub p

  17. Water balance in the Amazon basin from a land surface model ensemble

    SciTech Connect (OSTI)

    Getirana, Augusto; Dutra, Emanuel; Guimberteau, Matthieu; Kam, Jonghun; Li, Hongyi; Decharme, Bertrand; Zhang, Zhengqiu J.; Ducharne, Agnes; Boone, Aaron; Balsamo, Gianpaolo; Rodell, Matthew; Mounirou Toure, Ally; Xue, Yongkang; Peters-Lidard, Christa D.; Kumar, Sujay V.; Arsenault, Kristi Rae; Drapeau, Guillaume; Leung, Lai-Yung R.; Ronchail, Josyane; Sheffield, Justin

    2014-12-06

    Despite recent advances in modeling and remote sensing of land surfaces, estimates of the global water budget are still fairly uncertain. The objective of this study is to evaluate the water budget of the Amazon basin based on several state-of-the-art land surface model (LSM) outputs. Water budget variables [total water storage (TWS), evapotranspiration (ET), surface runoff (R) and baseflow (B)] are evaluated at the basin scale using both remote sensing and in situ data. Fourteen LSMs were run using meteorological forcings at a 3-hourly time step and 1-degree spatial resolution. Three experiments are performed using precipitation which has been rescaled to match monthly global GPCP and GPCC datasets and the daily HYBAM dataset for the Amazon basin. R and B are used to force the Hydrological Modeling and Analysis Platform (HyMAP) river routing scheme and simulated discharges are compared against observations at 165 gauges. Simulated ET and TWS are compared against FLUXNET and MOD16A2 evapotranspiration, and GRACE TWS estimates in different catchments. At the basin scale, simulated ET ranges from 2.39mm.d-1 to 3.26mm.d-1 and a low spatial correlation between ET and P indicates that evapotranspiration does not depend on water availability over most of the basin. Results also show that other simulated water budget variables vary significantly as a function of both the LSM and precipitation used, but simulated TWS generally agree at the basin scale. The best water budget simulations resulted from experiments using the HYBAM dataset, mostly explained by a denser rainfall gauge network the daily rescaling.

  18. Systematic Assessment of Neutron and Gamma Backgrounds Relevant to Operational Modeling and Detection Technology Implementation

    SciTech Connect (OSTI)

    Archer, Daniel E.; Hornback, Donald Eric; Johnson, Jeffrey O.; Nicholson, Andrew D.; Patton, Bruce W.; Peplow, Douglas E.; Miller, Thomas Martin; Ayaz-Maierhafer, Birsen

    2015-01-01

    This report summarizes the findings of a two year effort to systematically assess neutron and gamma backgrounds relevant to operational modeling and detection technology implementation. The first year effort focused on reviewing the origins of background sources and their impact on measured rates in operational scenarios of interest. The second year has focused on the assessment of detector and algorithm performance as they pertain to operational requirements against the various background sources and background levels.

  19. SOCIAL MODELING IN ASSESSEMENT OF A STATES PROPENSITY FOR NUCLEAR PROLIFERATION

    SciTech Connect (OSTI)

    Dalton, Angela C.; Whitney, Paul D.; Coles, Garill A.; Brothers, Alan J.

    2011-07-17

    This paper presents approach for assessing a States propensity for nuclear weapons proliferation using social modeling. We supported this modeling by first reviewing primarily literature by social scientists on factors related to the propensity of a State to proliferation and by leveraging existing relevant data compiled by social scientists. We performed a number of validation tests on our model including one that incorporates use of benchmark data defining the proliferation status of countries in the years between 1945 and 2000. We exercise the BN model against a number of country cases representing different perceived levels of proliferation risk. We also describe how the BN model could be further refined to be a proliferation assessment tool for decision making.

  20. Verification and validation of the decision analysis model for assessment of tank waste remediation system waste treatment strategies

    SciTech Connect (OSTI)

    Awadalla, N.G.; Eaton, S.C.F.

    1996-09-04

    This document is the verification and validation final report for the Decision Analysis Model for Assessment of Tank Waste Remediation System Waste Treatment Strategies. This model is also known as the INSIGHT Model.

  1. Trends in Formic Acid Decomposition on Model Transition Metal Surfaces: A Density Functional Theory Study

    SciTech Connect (OSTI)

    Herron, Jeffrey A.; Scaranto, Jessica; Ferrin, Peter A.; Li, Sha; Mavrikakis, Manos

    2014-12-05

    We present a first-principles, self-consistent periodic density functional theory (PW91-GGA) study of formic acid (HCOOH) decomposition on model (111) and (100) facets of eight fcc metals (Au, Ag, Cu, Pt, Pd, Ni, Ir, and Rh) and (0001) facets of four hcp (Co, Os, Ru, and Re) metals. The calculated binding energies of key formic acid decomposition intermediates including formate (HCOO), carboxyl (COOH), carbon monoxide (CO), water (H2O), carbon dioxide (CO2), hydroxyl (OH), carbon (C), oxygen (O), and hydrogen (H; H2) are presented. Using these energetics, we develop thermochemical potential energy diagrams for both the carboxyl-mediated and the formate-mediated dehydrogenation mechanisms on each surface. We evaluate the relative stability of COOH, HCOO, and other isomeric intermediates (i.e., CO + OH, CO2 + H, CO + O + H) on these surfaces. These results provide insights into formic acid decomposition selectivity (dehydrogenation versus dehydration), and in conjunction with calculated vibrational frequency modes, the results can assist with the experimental search for the elusive carboxyl (COOH) surface intermediate. Results are compared against experimental reports in the literature.

  2. Modeling carbon nanotube growth on the catalyst-substrate surface subjected to reactive plasma [

    SciTech Connect (OSTI)

    Tewari, Aarti; Sharma, Suresh C.

    2014-06-15

    The paper presents a theoretical model to study the growth of the carbon nanotube (CNT) on the catalyst substrate surface subjected to reactive plasma. The charging rate of the CNT, kinetics of electron, ions and neutral atoms, the growth rate of the CNT because of diffusion and accretion of ions on the catalyst nanoparticle inclusion of the issue of the plasma sheath is undertaken in the present model. Numerical calculations on the effect of ion density and temperature and the substrate bias on the growth of the CNT have been carried out for typical glow discharge plasma parameters. It is found that the height of CNT increases with the ion density of carbon ions and radius of CNT decreases with hydrogen ion density. The substrate bias also affects the growth rate of the CNT. The field emission characteristics from the CNTs can be analyzed from the results obtained.

  3. Production of excitons in grazing collisions of protons with LiF surfaces: An onion model

    SciTech Connect (OSTI)

    Miraglia, J. E.; Gravielle, M. S.

    2011-12-15

    In this work we evaluate the production of excitons of a lithium fluoride crystal induced by proton impact in the intermediate and high energy regime (from 100 keV to 1 MeV). A simple model is proposed to account for the influence of the Coulomb grid of the target by dressing crystal ions to transform them in what we call onions. The excited states of these onions can be interpreted as excitons. Within this model, total cross section and stopping power are calculated by using the first Born and the continuum distorted-wave (CDW) eikonal initial-state (EIS) approximations. We found that between 7 and 30 excitons per incident proton are produced in grazing collisions with LiF surfaces, becoming a relevant mechanism of inelastic transitions.

  4. Assessment of Drag Models for Geldart A Particles in Bubbling Fluidized Beds

    SciTech Connect (OSTI)

    Estejab, Bahareh; Battaglia, Francine

    2015-10-08

    In order to accurately predict the hydrodynamic behavior of gas and solid phases using an Eulerian–Eulerian approach, it is crucial to use appropriate drag models to capture the correct physics. In this study, the performance of seven drag models for fluidization of Geldart A particles of coal, poplar wood, and their mixtures was assessed. In spite of the previous findings that bode badly for using predominately Geldart B drag models for fine particles, the results of our study revealed that if static regions of mass in the fluidized beds are considered, these drag models work well with Geldart A particles. It was found that drag models derived from empirical relationships adopt better with Geldart A particles compared to drag models that were numerically developed. Overall, the Huilin–Gidaspow drag model showed the best performance for both single solid phases and binary mixtures, however, for binary mixtures, Wen–Yu model predictions were also accurate.

  5. 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.

  6. THE STABILITY OF LOW SURFACE BRIGHTNESS DISKS BASED ON MULTI-WAVELENGTH MODELING

    SciTech Connect (OSTI)

    MacLachlan, J. M.; Wood, K.; Matthews, L. D.; Gallagher, J. S.

    2011-11-01

    To investigate the structure and composition of the dusty interstellar medium (ISM) of low surface brightness (LSB) disk galaxies, we have used multi-wavelength photometry to construct spectral energy distributions for three low-mass, edge-on LSB galaxies (V{sub rot} = 88-105 km s{sup -1}). We use Monte Carlo radiation transfer codes that include the effects of transiently heated small grains and polycyclic aromatic hydrocarbon molecules to model and interpret the data. We find that, unlike the high surface brightness galaxies previously modeled, the dust disks appear to have scale heights equal to or exceeding their stellar scale heights. This result supports the findings of previous studies that low-mass disk galaxies have dust scale heights comparable to their stellar scale heights and suggests that the cold ISM of low-mass, LSB disk galaxies may be stable against fragmentation and gravitational collapse. This may help to explain the lack of observed dust lanes in edge-on LSB galaxies and their low current star formation rates. Dust masses are found in the range (1.16-2.38) x 10{sup 6} M{sub sun}, corresponding to face-on (edge-on), V-band, optical depths 0.034 {approx}< {tau}{sub face} {approx}< 0.106 (0.69 {approx}< {tau}{sub eq} {approx}< 1.99).

  7. SUMO, System performance assessment for a high-level nuclear waste repository: Mathematical models

    SciTech Connect (OSTI)

    Eslinger, P.W.; Miley, T.B.; Engel, D.W.; Chamberlain, P.J. II

    1992-09-01

    Following completion of the preliminary risk assessment of the potential Yucca Mountain Site by Pacific Northwest Laboratory (PNL) in 1988, the Office of Civilian Radioactive Waste Management (OCRWM) of the US Department of Energy (DOE) requested the Performance Assessment Scientific Support (PASS) Program at PNL to develop an integrated system model and computer code that provides performance and risk assessment analysis capabilities for a potential high-level nuclear waste repository. The system model that has been developed addresses the cumulative radionuclide release criteria established by the US Environmental Protection Agency (EPA) and estimates population risks in terms of dose to humans. The system model embodied in the SUMO (System Unsaturated Model) code will also allow benchmarking of other models being developed for the Yucca Mountain Project. The system model has three natural divisions: (1) source term, (2) far-field transport, and (3) dose to humans. This document gives a detailed description of the mathematics of each of these three divisions. Each of the governing equations employed is based on modeling assumptions that are widely accepted within the scientific community.

  8. Hydrophobic force field as molecular alternative to surface-area models

    SciTech Connect (OSTI)

    Hummer, G.

    1999-07-07

    An effective force field for hydrophobic interactions is developed based on a modified potential-of-mean-force (PMF) expansion of the effective many-body interactions between nonpolar molecules in water. For the simplest nonpolar solutes in water, hard particles, the modified PMF expansion is exact in both limiting cases of infinite separation and perfect overlap. The hydrophobic interactions are parametrized by using the information-theory model of hydrophobic hydration. The interactions between nonpolar solutes are short-ranged and can be evaluated efficiently on a computer. The force field is compared with simulation data for alkane conformational equilibria in water as well as a model for the formation of a hydrophobic core of a protein. The modified PMF expansion can be extended to solutes with attractive interactions. The observed accuracy, computational efficiency, and atomic detail of the model suggest that this simple hydrophobic force field can lead to a molecular alternative for phenomenological surface-area models with applications in ligand-binding and protein-folding studies.

  9. Assessment of PWR Steam Generator modelling in RELAP5/MOD2. International Agreement Report

    SciTech Connect (OSTI)

    Putney, J.M.; Preece, R.J.

    1993-06-01

    An assessment of Steam Generator (SG) modelling in the PWR thermal-hydraulic code RELAP5/MOD2 is presented. The assessment is based on a review of code assessment calculations performed in the UK and elsewhere, detailed calculations against a series of commissioning tests carried out on the Wolf Creek PWR and analytical investigations of the phenomena involved in normal and abnormal SG operation. A number of modelling deficiencies are identified and their implications for PWR safety analysis are discussed -- including methods for compensating for the deficiencies through changes to the input deck. Consideration is also given as to whether the deficiencies will still be present in the successor code RELAP5/MOD3.

  10. Assessment

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

    Assessment of the Surveillance Program of the High-Level Waste Storage Tanks at Hanford :.~I LALI i~E REJ 163 ROOM 1t 4 F77L.~ ~ -_77 .:earmn OfEeg Asitn Sertr fo niomn 4 z. r _________ rment of the Surveilance Prograrn of the High-Level Storage- Tanks at Hanford P. E WOOD Robert J. Catln, Deputy Directat - Office of Environmental Compliance and Overview Office of Environment MARCH 1980 Report to the U.S. Departrent of Energy Assistant Secretary for Environment Washkngon, DC C March 27, 1980

  11. Assessing Impacts of Climate Change on Forests: The State of Biological Modeling

    DOE R&D Accomplishments [OSTI]

    Dale, V. H.; Rauscher, H. M.

    1993-04-06

    Models that address the impacts to forests of climate change are reviewed by four levels of biological organization: global, regional or landscape, community, and tree. The models are compared as to their ability to assess changes in greenhouse gas flux, land use, maps of forest type or species composition, forest resource productivity, forest health, biodiversity, and wildlife habitat. No one model can address all of these impacts, but landscape transition models and regional vegetation and land-use models consider the largest number of impacts. Developing landscape vegetation dynamics models of functional groups is suggested as a means to integrate the theory of both landscape ecology and individual tree responses to climate change. Risk assessment methodologies can be adapted to deal with the impacts of climate change at various spatial and temporal scales. Four areas of research development are identified: (1) linking socioeconomic and ecologic models, (2) interfacing forest models at different scales, (3) obtaining data on susceptibility of trees and forest to changes in climate and disturbance regimes, and (4) relating information from different scales.

  12. Preliminary assessment of PWR Steam Generator modelling in RELAP5/MOD3. International Agreeement Report

    SciTech Connect (OSTI)

    Preece, R.J.; Putney, J.M.

    1993-07-01

    A preliminary assessment of Steam Generator (SG) modelling in the PWR thermal-hydraulic code RELAP5/MOD3 is presented. The study is based on calculations against a series of steady-state commissioning tests carried out on the Wolf Creek PWR over a range of load conditions. Data from the tests are used to assess the modelling of primary to secondary side heat transfer and, in particular, to examine the effect of reverting to the standard form of the Chen heat transfer correlation in place of the modified form applied in RELAP5/MOD2. Comparisons between the two versions of the code are also used to show how the new interphase drag model in RELAP5/MOD3 affects the calculation of SG liquid inventory and the void fraction profile in the riser.

  13. A modeling study of irrigation effects on global surface water and groundwater resources under a changing climate

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

    Leng, Guoyong; Huang, Maoyi; Tang, Qiuhong; Leung, Lai-Yung R.

    2015-08-25

    In this paper, the effects of irrigation on global surface water (SW) and groundwater (GW) resources are investigated by performing simulations using Community Land Model 4.0 (CLM4) at 0.5-degree resolution driven by downscaled/bias-corrected historical simulations and future projections from five General Circulation Models (GCMs) for 1950-2099. For each climate scenario, three sets of numerical experiments were configured: (1) a control experiment (CTRL) in which all crops are assumed to be rainfed; (2) an irrigation experiment (IRRIG) in which the irrigation module using only SW for irrigation is activated; and (3) a groundwater pumping experiment (PUMP) in which a groundwater pumpingmore » scheme coupled with the irrigation module is activated for conjunctive use of SW and GW for irrigation. The parameters associated with irrigation and groundwater pumping are calibrated based on a global inventory of census-based SW and GW use compiled by the Food and Agricultural Organization (FAO). Our results suggest that irrigation could lead to two major opposing effects: SW depletion/GW accumulation in regions with irrigation primarily fed by SW, and SW accumulation/GW depletion in regions with irrigation fed primarily by GW. Furthermore, irrigation depending primarily on SW tends to have larger impacts on low-flow than high-flow conditions, suggesting the potential to increase vulnerability to drought. By the end of the 21st century (2070-2099), climate change significantly increases (relative to 1971-2000) irrigation water demand across the world. Combined with the increased temporal-spatial variability of water supply, this may lead to severe issues of local water scarcity for irrigation. Regionally, irrigation has the potential to aggravate/alleviate climate-induced changes of SW/GW although such effects are negligible when averaged globally. Our results emphasize the importance of accounting for irrigation effects and irrigation sources in regional climate change

  14. A modeling study of irrigation effects on global surface water and groundwater resources under a changing climate

    SciTech Connect (OSTI)

    Leng, Guoyong; Huang, Maoyi; Tang, Qiuhong; Leung, Lai-Yung R.

    2015-08-25

    In this paper, the effects of irrigation on global surface water (SW) and groundwater (GW) resources are investigated by performing simulations using Community Land Model 4.0 (CLM4) at 0.5-degree resolution driven by downscaled/bias-corrected historical simulations and future projections from five General Circulation Models (GCMs) for 1950-2099. For each climate scenario, three sets of numerical experiments were configured: (1) a control experiment (CTRL) in which all crops are assumed to be rainfed; (2) an irrigation experiment (IRRIG) in which the irrigation module using only SW for irrigation is activated; and (3) a groundwater pumping experiment (PUMP) in which a groundwater pumping scheme coupled with the irrigation module is activated for conjunctive use of SW and GW for irrigation. The parameters associated with irrigation and groundwater pumping are calibrated based on a global inventory of census-based SW and GW use compiled by the Food and Agricultural Organization (FAO). Our results suggest that irrigation could lead to two major opposing effects: SW depletion/GW accumulation in regions with irrigation primarily fed by SW, and SW accumulation/GW depletion in regions with irrigation fed primarily by GW. Furthermore, irrigation depending primarily on SW tends to have larger impacts on low-flow than high-flow conditions, suggesting the potential to increase vulnerability to drought. By the end of the 21st century (2070-2099), climate change significantly increases (relative to 1971-2000) irrigation water demand across the world. Combined with the increased temporal-spatial variability of water supply, this may lead to severe issues of local water scarcity for irrigation. Regionally, irrigation has the potential to aggravate/alleviate climate-induced changes of SW/GW although such effects are negligible when averaged globally. Our results emphasize the importance of accounting for irrigation effects and irrigation sources in regional climate change impact

  15. A modeling study of irrigation effects on global surface water and groundwater resources under a changing climate

    SciTech Connect (OSTI)

    Leng, Guoyong; Huang, Maoyi; Tang, Qiuhong; Leung, Lai-Yung R.

    2015-08-25

    Abstract In this study, the effects of irrigation on global surface water (SW) and groundwater (GW) resources are investigated by performing simulations using Community Land Model 4.0 (CLM4) at 0.5-degree resolution driven by downscaled/bias-corrected historical simulations and future projections from five General Circulation Models (GCMs) for 1950-2099. For each climate scenario, three sets of numerical experiments were configured: (1) a control experiment (CTRL) in which all crops are assumed to be rainfed; (2) an irrigation experiment (IRRIG) in which the irrigation module using only SW for irrigation is activated; and (3) a groundwater pumping experiment (PUMP) in which a groundwater pumping scheme coupled with the irrigation module is activated for conjunctive use of SW and GW for irrigation. The parameters associated with irrigation and groundwater pumping are calibrated based on a global inventory of census-based SW and GW use compiled by the Food and Agricultural Organization (FAO). Our results suggest that irrigation could lead to two major opposing effects: SW depletion/GW accumulation in regions with irrigation primarily fed by SW, and SW accumulation/GW depletion in regions with irrigation fed primarily by GW. Furthermore, irrigation depending primarily on SW tends to have larger impacts on low-flow than high-flow conditions, suggesting the potential to increase vulnerability to drought. By the end of the 21st century (2070-2099), climate change significantly increases (relative to 1971-2000) irrigation water demand across the world. Combined with the increased temporal-spatial variability of water supply, this may lead to severe issues of local water scarcity for irrigation. Regionally, irrigation has the potential to aggravate/alleviate climate-induced changes of SW/GW although such effects are negligible when averaged globally. Our results emphasize the importance of accounting for irrigation effects and irrigation sources in regional climate change

  16. A multi-model assessment of pollution transport to the Arctic

    SciTech Connect (OSTI)

    Shindell, D T; Chin, M; Dentener, F; Doherty, R M; Faluvegi, G; Fiore, A M; Hess, P; Koch, D M; MacKenzie, I A; Sanderson, M G; Schultz, M G; Schulz, M; Stevenson, D S; Teich, H; Textor, C; Wild, O; Bergmann, D J; Bey, I; Bian, H; Cuvelier, C; Duncan, B N; Folberth, G; Horowitz, L W; Jonson, J; Kaminski, J W; Marmer, E; Park, R; Pringle, K J; Schroeder, S; Szopa, S; Takemura, T; Zeng, G; Keating, T J; Zuber, A

    2008-03-13

    We examine the response of Arctic gas and aerosol concentrations to perturbations in pollutant emissions from Europe, East and South Asia, and North America using results from a coordinated model intercomparison. These sensitivities to regional emissions (mixing ratio change per unit emission) vary widely across models and species. Intermodel differences are systematic, however, so that the relative importance of different regions is robust. North America contributes the most to Arctic ozone pollution. For aerosols and CO, European emissions dominate at the Arctic surface but East Asian emissions become progressively more important with altitude, and are dominant in the upper troposphere. Sensitivities show strong seasonality: surface sensitivities typically maximize during boreal winter for European and during spring for East Asian and North American emissions. Mid-tropospheric sensitivities, however, nearly always maximize during spring or summer for all regions. Deposition of black carbon (BC) onto Greenland is most sensitive to North American emissions. North America and Europe each contribute {approx}40% of total BC deposition to Greenland, with {approx}20% from East Asia. Elsewhere in the Arctic, both sensitivity and total BC deposition are dominated by European emissions. Model diversity for aerosols is especially large, resulting primarily from differences in aerosol physical and chemical processing (including removal). Comparison of modeled aerosol concentrations with observations indicates problems in the models, and perhaps, interpretation of the measurements. For gas phase pollutants such as CO and O{sub 3}, which are relatively well-simulated, the processes contributing most to uncertainties depend on the source region and altitude examined. Uncertainties in the Arctic surface CO response to emissions perturbations are dominated by emissions for East Asian sources, while uncertainties in transport, emissions, and oxidation are comparable for European

  17. Interpretation of thermoreflectance measurements with a two-temperature model including non-surface heat deposition

    SciTech Connect (OSTI)

    Regner, K. T.; Wei, L. C.; Malen, J. A.

    2015-12-21

    We develop a solution to the two-temperature diffusion equation in axisymmetric cylindrical coordinates to model heat transport in thermoreflectance experiments. Our solution builds upon prior solutions that account for two-channel diffusion in each layer of an N-layered geometry, but adds the ability to deposit heat at any location within each layer. We use this solution to account for non-surface heating in the transducer layer of thermoreflectance experiments that challenge the timescales of electron-phonon coupling. A sensitivity analysis is performed to identify important parameters in the solution and to establish a guideline for when to use the two-temperature model to interpret thermoreflectance data. We then fit broadband frequency domain thermoreflectance (BB-FDTR) measurements of SiO{sub 2} and platinum at a temperature of 300 K with our two-temperature solution to parameterize the gold/chromium transducer layer. We then refit BB-FDTR measurements of silicon and find that accounting for non-equilibrium between electrons and phonons in the gold layer does lessen the previously observed heating frequency dependence reported in Regner et al. [Nat. Commun. 4, 1640 (2013)] but does not completely eliminate it. We perform BB-FDTR experiments on silicon with an aluminum transducer and find limited heating frequency dependence, in agreement with time domain thermoreflectance results. We hypothesize that the discrepancy between thermoreflectance measurements with different transducers results in part from spectrally dependent phonon transmission at the transducer/silicon interface.

  18. Analysis report for WIPP colloid model constraints and performance assessment parameters

    SciTech Connect (OSTI)

    Mariner, Paul E.; Sassani, David Carl

    2014-03-01

    An analysis of the Waste Isolation Pilot Plant (WIPP) colloid model constraints and parameter values was performed. The focus of this work was primarily on intrinsic colloids, mineral fragment colloids, and humic substance colloids, with a lesser focus on microbial colloids. Comments by the US Environmental Protection Agency (EPA) concerning intrinsic Th(IV) colloids and Mg-Cl-OH mineral fragment colloids were addressed in detail, assumptions and data used to constrain colloid model calculations were evaluated, and inconsistencies between data and model parameter values were identified. This work resulted in a list of specific conclusions regarding model integrity, model conservatism, and opportunities for improvement related to each of the four colloid types included in the WIPP performance assessment.

  19. Model Components of the Certification Framework for Geologic Carbon Sequestration Risk Assessment

    SciTech Connect (OSTI)

    Oldenburg, Curtis M.; Bryant, Steven L.; Nicot, Jean-Philippe; Kumar, Navanit; Zhang, Yingqi; Jordan, Preston; Pan, Lehua; Granvold, Patrick; Chow, Fotini K.

    2009-06-01

    We have developed a framework for assessing the leakage risk of geologic carbon sequestration sites. This framework, known as the Certification Framework (CF), emphasizes wells and faults as the primary potential leakage conduits. Vulnerable resources are grouped into compartments, and impacts due to leakage are quantified by the leakage flux or concentrations that could potentially occur in compartments under various scenarios. The CF utilizes several model components to simulate leakage scenarios. One model component is a catalog of results of reservoir simulations that can be queried to estimate plume travel distances and times, rather than requiring CF users to run new reservoir simulations for each case. Other model components developed for the CF and described here include fault characterization using fault-population statistics; fault connection probability using fuzzy rules; well-flow modeling with a drift-flux model implemented in TOUGH2; and atmospheric dense-gas dispersion using a mesoscale weather prediction code.

  20. Economic assessment of the impact on coal production due to enforcement of the Surface Mining Control and Reclamation Act of 1977. Cost report. Final report

    SciTech Connect (OSTI)

    Not Available

    1980-11-12

    The report summarizes the efforts made in the cost analysis portion of the 'Economic Assessment of the Impact on Coal Production Due to Enforcement of the Surface Mining Control and Reclamation Act (SMCRA) of 1977. The objective of the cost analysis portion of the study was to supplement the study's examination of the benefits of SMCRA with an analysis of the costs of SMCRA as based on industry experience and data. The analysis involved the development and field test of a methodology for constructing estimates of the costs of complying with regulations at individual surface coal mines.

  1. TSD-DOSE: A radiological dose assessment model for treatment, storage, and disposal facilities

    SciTech Connect (OSTI)

    Pfingston, M.; Arnish, J.; LePoire, D.; Chen, S.-Y.

    1998-10-14

    Past practices at US Department of Energy (DOE) field facilities resulted in the presence of trace amounts of radioactive materials in some hazardous chemical wastes shipped from these facilities. In May 1991, the DOE Office of Waste Operations issued a nationwide moratorium on shipping all hazardous waste until procedures could be established to ensure that only nonradioactive hazardous waste would be shipped from DOE facilities to commercial treatment, storage, and disposal (TSD) facilities. To aid in assessing the potential impacts of shipments of mixed radioactive and chemically hazardous wastes, a radiological assessment computer model (or code) was developed on the basis of detailed assessments of potential radiological exposures and doses for eight commercial hazardous waste TSD facilities. The model, called TSD-DOSE, is designed to incorporate waste-specific and site-specific data to estimate potential radiological doses to on-site workers and the off-site public from waste-handling operations at a TSD facility. The code is intended to provide both DOE and commercial TSD facilities with a rapid and cost-effective method for assessing potential human radiation exposures from the processing of chemical wastes contaminated with trace amounts of radionuclides.

  2. Modeling threat assessments of water supply systems using markov latent effects methodology.

    SciTech Connect (OSTI)

    Silva, Consuelo Juanita

    2006-12-01

    Recent amendments to the Safe Drinking Water Act emphasize efforts toward safeguarding our nation's water supplies against attack and contamination. Specifically, the Public Health Security and Bioterrorism Preparedness and Response Act of 2002 established requirements for each community water system serving more than 3300 people to conduct an assessment of the vulnerability of its system to a terrorist attack or other intentional acts. Integral to evaluating system vulnerability is the threat assessment, which is the process by which the credibility of a threat is quantified. Unfortunately, full probabilistic assessment is generally not feasible, as there is insufficient experience and/or data to quantify the associated probabilities. For this reason, an alternative approach is proposed based on Markov Latent Effects (MLE) modeling, which provides a framework for quantifying imprecise subjective metrics through possibilistic or fuzzy mathematics. Here, an MLE model for water systems is developed and demonstrated to determine threat assessments for different scenarios identified by the assailant, asset, and means. Scenario assailants include terrorists, insiders, and vandals. Assets include a water treatment plant, water storage tank, node, pipeline, well, and a pump station. Means used in attacks include contamination (onsite chemicals, biological and chemical), explosives and vandalism. Results demonstrated highest threats are vandalism events and least likely events are those performed by a terrorist.

  3. Development of Probabilistic Risk Assessment Model for BWR Shutdown Modes 4 and 5 Integrated in SPAR Model

    SciTech Connect (OSTI)

    S. T. Khericha; S. Sancakter; J. Mitman; J. Wood

    2010-06-01

    Nuclear plant operating experience and several studies show that the risk from shutdown operation during modes 4, 5, and 6 can be significant This paper describes development of the standard template risk evaluation models for shutdown modes 4, and 5 for commercial boiling water nuclear power plants (BWR). The shutdown probabilistic risk assessment model uses full power Nuclear Regulatory Commissions (NRCs) Standardized Plant Analysis Risk (SPAR) model as the starting point for development. The shutdown PRA models are integrated with their respective internal events at-power SPAR model. This is accomplished by combining the modified system fault trees from SPAR full power model with shutdown event tree logic. For human reliability analysis (HRA), the SPAR HRA (SPAR-H) method is used which requires the analysts to complete relatively straight forward worksheet, including the performance shaping factors (PSFs). The results are then used to estimate HEP of interest. The preliminary results indicate the risk is dominated by the operators ability to diagnose the events and provide long term cooling.

  4. Protonation of Different Goethite Surfaces - Unified Models for NaNO3 and NaCl Media.

    SciTech Connect (OSTI)

    Lutzenkirchen, Johannes; Boily, Jean F.; Gunneriusson, Lars; Lovgren, L.; Sjojberg, S.

    2008-01-01

    Acid-base titration data for two goethites samples in sodium nitrate and sodium chloride media are discussed. The data are modelled based on various surface complexation models in the framework of the MUlti SIte Complexation (MUSIC) model. Various assumptions with respect to the goethite morphology are considered in determining the site density of the surface functional groups. The results from the various model applications are not statistically significant in terms of goodness of fit. More importantly, various published assumptions with respect to the goethite morphology (i.e. the contributions of different crystal planes and their repercussions on the overall site densities of the various surface functional groups) do not significantly affect the final model parameters. The simultaneous fit of the chloride and nitrate data results in electrolyte binding constants, which are applicable over a wide range of electrolyte concentrations including mixtures of chloride and nitrate. Model parameters for the high surface area goethite sample are in excellent agreement with parameters that were independently obtained by another group on different goethite titration data sets.

  5. Chapter 6: Innovating Clean Energy Technologies in Advanced Manufacturing | Advanced Sensors, Controls, Platforms and Modeling for Manufacturing Technology Assessment

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

    Advanced Sensors, Controls, Platforms and Modeling for Manufacturing Chapter 6: Technology Assessments NOTE: This technology assessment is available as an appendix to the 2015 Quadrennial Technology Review (QTR). Advanced Sensors, Controls, Platforms and Modeling for Manufacturing is one of fourteen manufacturing-focused technology assessments prepared in support of Chapter 6: Innovating Clean Energy Technologies in Advanced Manufacturing. For context within the 2015 QTR, key connections between

  6. HyRAM (Hydrogen Risk Assessment Models) Webinar | April 26, 2016 | 12-1

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

    p.m. EDT HyRAM (Hydrogen Risk Assessment Models) Webinar | April 26, 2016 | 12-1 p.m. EDT - 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

  7. Performance Assessment Modeling and Sensitivity Analyses of Generic Disposal System Concepts.

    SciTech Connect (OSTI)

    Sevougian, S. David; Freeze, Geoffrey A.; Gardner, William Payton; Hammond, Glenn Edward; Mariner, Paul

    2014-09-01

    directly, rather than through simplified abstractions. It also a llows for complex representations of the source term, e.g., the explicit representation of many individual waste packages (i.e., meter - scale detail of an entire waste emplacement drift). This report fulfills the Generic Disposal System Analysis Work Packa ge Level 3 Milestone - Performance Assessment Modeling and Sensitivity Analyses of Generic Disposal System Concepts (M 3 FT - 1 4 SN08080 3 2 ).

  8. Post-2020 climate agreements in the major economies assessed in the light of global models

    SciTech Connect (OSTI)

    Tavoni, Massimo; Kriegler, Elmar; Riahi, Keywan; Van Vuuren, Detlef; Aboumahboub, Tino; Bowen, Alex; Calvin, Katherine V.; Campiglio, Emanuele; Kober, Tom; Jewell, Jessica; Luderer, Gunnar; Marangoni, Giacomo; McCollum, David; van Sluisveld, Mariesse; Zimmer, Anne; van der Zwaan, Bob

    2014-12-15

    Integrated assessment models can help in quantifying the implications of international climate agreements and regional climate action. This paper reviews scenario results from model intercomparison projects to explore different possible outcomes of post-2020 climate negotiations, recently announced pledges and their relation to the 2°C target. We provide key information for all the major economies, such as the year of emission peaking, regional carbon budgets and emissions allowances. We highlight the distributional consequences of climate policies, and discuss the role of carbon markets for financing clean energy investments, and achieving efficiency and equity.

  9. Model assessment of protective barriers: Part 4, Status of FY 1992 work

    SciTech Connect (OSTI)

    Fayer, M.J.

    1993-03-01

    Protective barriers are being considered for use at the Hanford Site to enhance the isolation of radioactive wastes from water, plant, and animal intrusion. This study is part of an ongoing effort to assess the effectiveness of protective barriers for isolation of wastes from water. Part I of this study was the original modeling assessment by Pacific Northwest Laboratory of various protective barrier designs (e.g., soil type, vegetation). In Part 11 of this study, additional barrier designs were reviewed and several barrier modeling assumptions were tested. A test plan was then produced that detailed the requirement for hydrologic modeling of protective barriers. Part III of this study summarized the status of work in FY 1990 dealing with two-dimensional flow beneath the barrier and with validation testing using lysimeter data. This report (Part IV) addresses the application of a calibrated model to a much longer data set, the application of the calibrated model to a lysimeter that received a different treatment, and the effect of hysteresis on the behavior of water in the protective barrier.

  10. Development of Simplified Probabilistic Risk Assessment Model for Seismic Initiating Event

    SciTech Connect (OSTI)

    S. Khericha; R. Buell; S. Sancaktar; M. Gonzalez; F. Ferrante

    2012-06-01

    ABSTRACT This paper discusses a simplified method to evaluate seismic risk using a methodology built on dividing the seismic intensity spectrum into multiple discrete bins. The seismic probabilistic risk assessment model uses Nuclear Regulatory Commissions (NRCs) full power Standardized Plant Analysis Risk (SPAR) model as the starting point for development. The seismic PRA models are integrated with their respective internal events at-power SPAR model. This is accomplished by combining the modified system fault trees from the full power SPAR model with seismic event tree logic. The peak ground acceleration is divided into five bins. The g-value for each bin is estimated using the geometric mean of lower and upper values of that particular bin and the associated frequency for each bin is estimated by taking the difference between upper and lower values of that bin. The components fragilities are calculated for each bin using the plant data, if available, or generic values of median peak ground acceleration and uncertainty values for the components. For human reliability analysis (HRA), the SPAR HRA (SPAR-H) method is used which requires the analysts to complete relatively straight forward worksheets that include the performance shaping factors (PSFs). The results are then used to estimate human error probabilities (HEPs) of interest. This work is expected to improve the NRCs ability to include seismic hazards in risk assessments for operational events in support of the reactor oversight program (e.g., significance determination process).

  11. Testing, Modeling, and Monitoring to Enable Simpler, Cheaper, Longer-Lived Surface Caps

    SciTech Connect (OSTI)

    Piet, Steven James; Breckenridge, Robert Paul; Burns, Douglas Edward

    2003-02-01

    Society has and will continue to generate hazardous wastes whose risks must be managed. For exceptionally toxic, long-lived, and feared waste, the solution is deep burial, e.g., deep geological disposal at Yucca Mtn. For some waste, recycle or destruction/treatment is possible. The alternative for other wastes is storage at or near the ground level (in someones back yard); most of these storage sites include a surface barrier (cap) to prevent downward water migration. Some of the hazards will persist indefinitely. As society and regulators have demanded additional proof that caps are robust against more threats and for longer time periods, the caps have become increasingly complex and expensive. As in other industries, increased complexity will eventually increase the difficulty in estimating performance, in monitoring system/component performance, and in repairing or upgrading barriers as risks are managed. An approach leading to simpler, less expensive, longer-lived, more manageable caps is needed. Our project, which started in April 2002, aims to catalyze a Barrier Improvement Cycle (iterative learning and application) and thus enable Remediation System Performance Management (doing the right maintenance neither too early nor too late). The knowledge gained and the capabilities built will help verify the adequacy of past remedial decisions, improve barrier management, and enable improved solutions for future decisions. We believe it will be possible to develop simpler, longer-lived, less expensive caps that are easier to monitor, manage, and repair. The project is planned to: a) improve the knowledge of degradation mechanisms in times shorter than service life; b) improve modeling of barrier degradation dynamics; c) develop sensor systems to identify early degradation; and d) provide a better basis for developing and testing of new barrier systems. This project combines selected exploratory studies (benchtop and field scale), coupled effects accelerated aging

  12. Testing, Modeling, and Monitoring to Enable Simpler, Cheaper, Longer-lived Surface Caps

    SciTech Connect (OSTI)

    Piet, S. J.; Breckenridge, R. P.; Burns, D. E.

    2003-02-25

    Society has and will continue to generate hazardous wastes whose risks must be managed. For exceptionally toxic, long-lived, and feared waste, the solution is deep burial, e.g., deep geological disposal at Yucca Mtn. For some waste, recycle or destruction/treatment is possible. The alternative for other wastes is storage at or near the ground level (in someone's back yard); most of these storage sites include a surface barrier (cap) to prevent downward water migration. Some of the hazards will persist indefinitely. As society and regulators have demanded additional proof that caps are robust against more threats and for longer time periods, the caps have become increasingly complex and expensive. As in other industries, increased complexity will eventually increase the difficulty in estimating performance, in monitoring system/component performance, and in repairing or upgrading barriers as risks are managed. An approach leading to simpler, less expensive, longer-lived, more manageable caps is needed. Our project, which started in April 2002, aims to catalyze a Barrier Improvement Cycle (iterative learning and application) and thus enable Remediation System Performance Management (doing the right maintenance neither too early nor too late). The knowledge gained and the capabilities built will help verify the adequacy of past remedial decisions, improve barrier management, and enable improved solutions for future decisions. We believe it will be possible to develop simpler, longer-lived, less expensive caps that are easier to monitor, manage, and repair. The project is planned to: (a) improve the knowledge of degradation mechanisms in times shorter than service life; (b) improve modeling of barrier degradation dynamics; (c) develop sensor systems to identify early degradation; and (d) provide a better basis for developing and testing of new barrier systems. This project combines selected exploratory studies (benchtop and field scale), coupled effects accelerated

  13. Uncertainty and Sensitivity of Alternative Rn-222 Flux Density Models Used in Performance Assessment

    SciTech Connect (OSTI)

    Greg J. Shott, Vefa Yucel, Lloyd Desotell; Non-Nstec Authors: G. Pyles and Jon Carilli

    2007-06-01

    Performance assessments for the Area 5 Radioactive Waste Management Site on the Nevada Test Site have used three different mathematical models to estimate Rn-222 flux density. This study describes the performance, uncertainty, and sensitivity of the three models which include the U.S. Nuclear Regulatory Commission Regulatory Guide 3.64 analytical method and two numerical methods. The uncertainty of each model was determined by Monte Carlo simulation using Latin hypercube sampling. The global sensitivity was investigated using Morris one-at-time screening method, sample-based correlation and regression methods, the variance-based extended Fourier amplitude sensitivity test, and Sobol's sensitivity indices. The models were found to produce similar estimates of the mean and median flux density, but to have different uncertainties and sensitivities. When the Rn-222 effective diffusion coefficient was estimated using five different published predictive models, the radon flux density models were found to be most sensitive to the effective diffusion coefficient model selected, the emanation coefficient, and the radionuclide inventory. Using a site-specific measured effective diffusion coefficient significantly reduced the output uncertainty. When a site-specific effective-diffusion coefficient was used, the models were most sensitive to the emanation coefficient and the radionuclide inventory.

  14. Assessment of Drag Models for Geldart A Particles in Bubbling Fluidized Beds

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

    Estejab, Bahareh; Battaglia, Francine

    2015-10-08

    In order to accurately predict the hydrodynamic behavior of gas and solid phases using an Eulerian–Eulerian approach, it is crucial to use appropriate drag models to capture the correct physics. In this study, the performance of seven drag models for fluidization of Geldart A particles of coal, poplar wood, and their mixtures was assessed. In spite of the previous findings that bode badly for using predominately Geldart B drag models for fine particles, the results of our study revealed that if static regions of mass in the fluidized beds are considered, these drag models work well with Geldart A particles.more » It was found that drag models derived from empirical relationships adopt better with Geldart A particles compared to drag models that were numerically developed. Overall, the Huilin–Gidaspow drag model showed the best performance for both single solid phases and binary mixtures, however, for binary mixtures, Wen–Yu model predictions were also accurate.« less

  15. Dissociative chemisorption of methane on metal surfaces: Tests of dynamical assumptions using quantum models and ab initio molecular dynamics

    SciTech Connect (OSTI)

    Jackson, Bret; Nattino, Francesco; Kroes, Geert-Jan

    2014-08-07

    The dissociative chemisorption of methane on metal surfaces is of great practical and fundamental importance. Not only is it the rate-limiting step in the steam reforming of natural gas, the reaction exhibits interesting mode-selective behavior and a strong dependence on the temperature of the metal. We present a quantum model for this reaction on Ni(100) and Ni(111) surfaces based on the reaction path Hamiltonian. The dissociative sticking probabilities computed using this model agree well with available experimental data with regard to variation with incident energy, substrate temperature, and the vibrational state of the incident molecule. We significantly expand the vibrational basis set relative to earlier studies, which allows reaction probabilities to be calculated for doubly excited initial vibrational states, though it does not lead to appreciable changes in the reaction probabilities for singly excited initial states. Sudden models used to treat the center of mass motion parallel to the surface are compared with results from ab initio molecular dynamics and found to be reasonable. Similar comparisons for molecular rotation suggest that our rotationally adiabatic model is incorrect, and that sudden behavior is closer to reality. Such a model is proposed and tested. A model for predicting mode-selective behavior is tested, with mixed results, though we find it is consistent with experimental studies of normal vs. total (kinetic) energy scaling. Models for energy transfer into lattice vibrations are also examined.

  16. Use of North American and European air quality networks to evaluate global chemistry-climate modeling of surface ozone

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

    Schnell, J. L.; Prather, M. J.; Josse, B.; Naik, V.; Horowitz, L. W.; Cameron-Smith, P.; Bergmann, D.; Zeng, G.; Plummer, D. A.; Sudo, K.; et al

    2015-04-16

    We test the current generation of global chemistry-climate models in their ability to simulate observed, present-day surface ozone. Models are evaluated against hourly surface ozone from 4217 stations in North America and Europe that are averaged over 1° × 1° grid cells, allowing commensurate model-measurement comparison. Models are generally biased high during all hours of the day and in all regions. Most models simulate the shape of regional summertime diurnal and annual cycles well, correctly matching the timing of hourly (~ 15:00) and monthly (mid-June) peak surface ozone abundance. The amplitude of these cycles is less successfully matched. The observedmore » summertime diurnal range (~ 25 ppb) is underestimated in all regions by about 7 ppb, and the observed seasonal range (~ 21 ppb) is underestimated by about 5 ppb except in the most polluted regions where it is overestimated by about 5 ppb. The models generally match the pattern of the observed summertime ozone enhancement, but they overestimate its magnitude in most regions. Most models capture the observed distribution of extreme episode sizes, correctly showing that about 80% of individual extreme events occur in large-scale, multi-day episodes of more than 100 grid cells. The observed linear relationship showing increases in ozone by up to 6 ppb for larger-sized episodes is also matched.« less

  17. Soil-to-Plant Concentration Ratios for Assessing Food Chain Pathways in Biosphere Models

    SciTech Connect (OSTI)

    Napier, Bruce A.; Fellows, Robert J.; Krupka, Kenneth M.

    2007-10-01

    This report describes work performed for the U.S. Nuclear Regulatory Commissions project Assessment of Food Chain Pathway Parameters in Biosphere Models, which was established to assess and evaluate a number of key parameters used in the food-chain models used in performance assessments of radioactive waste disposal facilities. Section 2 of this report summarizes characteristics of samples of soils and groundwater from three geographical regions of the United States, the Southeast, Northwest, and Southwest, and analyses performed to characterize their physical and chemical properties. Because the uptake and behavior of radionuclides in plant roots, plant leaves, and animal products depends on the chemistry of the water and soil coming in contact with plants and animals, water and soil samples collected from these regions of the United States were used in experiments at Pacific Northwest National Laboratory to determine radionuclide soil-to-plant concentration ratios. Crops and forage used in the experiments were grown in the soils, and long-lived radionuclides introduced into the groundwater provide the contaminated water used to water the grown plants. The radionuclides evaluated include 99Tc, 238Pu, and 241Am. Plant varieties include alfalfa, corn, onion, and potato. The radionuclide uptake results from this research study show how regional variations in water quality and soil chemistry affect radionuclide uptake. Section 3 summarizes the procedures and results of the uptake experiments, and relates the soil-to-plant uptake factors derived. In Section 4, the results found in this study are compared with similar values found in the biosphere modeling literature; the studys results are generally in line with current literature, but soil- and plant-specific differences are noticeable. This food-chain pathway data may be used by the NRC staff to assess dose to persons in the reference biosphere (e.g., persons who live and work in an area potentially affected by

  18. Hydrogeologic analyses in support of the conceptual model for the LANL Area G LLRW performance assessment

    SciTech Connect (OSTI)

    Vold, E.L.; Birdsell, K.; Rogers, D.; Springer, E.; Krier, D.; Turin, H.J.

    1996-04-01

    The Los Alamos National Laboratory low level radioactive waste disposal facility at Area G is currently completing a draft of the site Performance Assessment. Results from previous field studies have estimated a range in recharge rate up to 1 cm/yr. Recent estimates of unsaturated hydraulic conductivity for each stratigraphic layer under a unit gradient assumption show a wide range in recharge rate of 10{sup {minus}4} to 1 cm/yr depending upon location. Numerical computations show that a single net infiltration rate at the mesa surface does not match the moisture profile in each stratigraphic layer simultaneously, suggesting local source or sink terms possibly due to surface connected porous regions. The best fit to field data at deeper stratigraphic layers occurs for a net infiltration of about 0.1 cm/yr. A recent detailed analysis evaluated liquid phase vertical moisture flux, based on moisture profiles in several boreholes and van Genuchten fits to the hydraulic properties for each of the stratigraphic units. Results show a near surface infiltration region averages 8m deep, below which is a dry, low moisture content, and low flux region, where liquid phase recharge averages to zero. Analysis shows this low flux region is dominated by vapor movement. Field data from tritium diffusion studies, from pressure fluctuation attenuation studies, and from comparisons of in-situ and core sample permeabilities indicate that the vapor diffusion is enhanced above that expected in the matrix and is presumably due to enhanced flow through the fractures. Below this dry region within the mesa is a moisture spike which analyses show corresponds to a moisture source. The likely physical explanation is seasonal transient infiltration through surface-connected fractures. This anomalous region is being investigated in current field studies, because it is critical in understanding the moisture flux which continues to deeper regions through the unsaturated zone.

  19. SIMPLIFIED PREDICTIVE MODELS FOR CO₂ SEQUESTRATION PERFORMANCE ASSESSMENT RESEARCH TOPICAL REPORT ON TASK #3 STATISTICAL LEARNING BASED MODELS

    SciTech Connect (OSTI)

    Mishra, Srikanta; Schuetter, Jared

    2014-11-01

    We compare two approaches for building a statistical proxy model (metamodel) for CO₂ geologic sequestration from the results of full-physics compositional simulations. The first approach involves a classical Box-Behnken or Augmented Pairs experimental design with a quadratic polynomial response surface. The second approach used a space-filling maxmin Latin Hypercube sampling or maximum entropy design with the choice of five different meta-modeling techniques: quadratic polynomial, kriging with constant and quadratic trend terms, multivariate adaptive regression spline (MARS) and additivity and variance stabilization (AVAS). Simulations results for CO₂ injection into a reservoir-caprock system with 9 design variables (and 97 samples) were used to generate the data for developing the proxy models. The fitted models were validated with using an independent data set and a cross-validation approach for three different performance metrics: total storage efficiency, CO₂ plume radius and average reservoir pressure. The Box-Behnken–quadratic polynomial metamodel performed the best, followed closely by the maximin LHS–kriging metamodel.

  20. Use of North American and European air quality networks to evaluate global chemistry–climate modeling of surface ozone

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

    Schnell, J. L.; Prather, M. J.; Josse, B.; Naik, V.; Horowitz, L. W.; Cameron-Smith, P.; Bergmann, D.; Zeng, G.; Plummer, D. A.; Sudo, K.; et al

    2015-09-25

    We test the current generation of global chemistry–climate models in their ability to simulate observed, present-day surface ozone. Models are evaluated against hourly surface ozone from 4217 stations in North America and Europe that are averaged over 1° × 1° grid cells, allowing commensurate model–measurement comparison. Models are generally biased high during all hours of the day and in all regions. Most models simulate the shape of regional summertime diurnal and annual cycles well, correctly matching the timing of hourly (~ 15:00 local time (LT)) and monthly (mid-June) peak surface ozone abundance. The amplitude of these cycles is less successfullymore » matched. The observed summertime diurnal range (~ 25 ppb) is underestimated in all regions by about 7 ppb, and the observed seasonal range (~ 21 ppb) is underestimated by about 5 ppb except in the most polluted regions, where it is overestimated by about 5 ppb. The models generally match the pattern of the observed summertime ozone enhancement, but they overestimate its magnitude in most regions. Most models capture the observed distribution of extreme episode sizes, correctly showing that about 80 % of individual extreme events occur in large-scale, multi-day episodes of more than 100 grid cells. The models also match the observed linear relationship between episode size and a measure of episode intensity, which shows increases in ozone abundance by up to 6 ppb for larger-sized episodes. We conclude that the skill of the models evaluated here provides confidence in their projections of future surface ozone.« less

  1. 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.

  2. HyRAM (Hydrogen Risk Assessment Models) v. 1.0 (alpha)

    Energy Science and Technology Software Center (OSTI)

    2014-12-19

    HyRAM is a software toolkit that integrates data and methods relevant to assessing the safety of hydrogen fueling and storage infrastructure. The HyRAM toolkit integrates deterministic and probabilistic models for quantifying accident scenarios, predicting physical effects, and characterizing the impact of hydrogen hazards (thermal effects from jet fires, thermal pressure effects from deflagrations) on people and structures. HyRAM incorporates generic probabilities for equipment failures for nine types of components, and probabilistic models for the impactmore » of heat flux on humans and structures, with computationally and experimentally validated models of hydrogen release and flame physics. Version 1.0.0.280 can be used to quantify the likelihood and thermal consequences associated with gaseous hydrogen releases from user-defined hydrogen installations.« less

  3. HyRAM (Hydrogen Risk Assessment Models) v. 1.0 (alpha)

    SciTech Connect (OSTI)

    Groth, Katrina M.; Hecht, Ethan; Reynolds, John T.; Ekoto, Isaac W.; Walkup, Gregory W.

    2014-12-19

    HyRAM is a software toolkit that integrates data and methods relevant to assessing the safety of hydrogen fueling and storage infrastructure. The HyRAM toolkit integrates deterministic and probabilistic models for quantifying accident scenarios, predicting physical effects, and characterizing the impact of hydrogen hazards (thermal effects from jet fires, thermal pressure effects from deflagrations) on people and structures. HyRAM incorporates generic probabilities for equipment failures for nine types of components, and probabilistic models for the impact of heat flux on humans and structures, with computationally and experimentally validated models of hydrogen release and flame physics. Version 1.0.0.280 can be used to quantify the likelihood and thermal consequences associated with gaseous hydrogen releases from user-defined hydrogen installations.

  4. Assessment of Food Chain Pathway Parameters in Biosphere Models: Annual Progress Report for Fiscal Year 2004

    SciTech Connect (OSTI)

    Napier, Bruce A.; Krupka, Kenneth M.; Fellows, Robert J.; Cataldo, Dominic A.; Valenta, Michelle M.; Gilmore, Tyler J.

    2004-12-02

    This Annual Progress Report describes the work performed and summarizes some of the key observations to date on the U.S. Nuclear Regulatory Commission’s project Assessment of Food Chain Pathway Parameters in Biosphere Models, which was established to assess and evaluate a number of key parameters used in the food-chain models used in performance assessments of radioactive waste disposal facilities. Section 2 of this report describes activities undertaken to collect samples of soils from three regions of the United States, the Southeast, Northwest, and Southwest, and perform analyses to characterize their physical and chemical properties. Section 3 summarizes information gathered regarding agricultural practices and common and unusual crops grown in each of these three areas. Section 4 describes progress in studying radionuclide uptake in several representative crops from the three soil types in controlled laboratory conditions. Section 5 describes a range of international coordination activities undertaken by Project staff in order to support the underlying data needs of the Project. Section 6 provides a very brief summary of the status of the GENII Version 2 computer program, which is a “client” of the types of data being generated by the Project, and for which the Project will be providing training to the US NRC staff in the coming Fiscal Year. Several appendices provide additional supporting information.

  5. A global model simulation for 3-D radiative transfer impact on surface hydrology over Sierra Nevada and Rocky Mountains

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

    Lee, W. -L.; Gu, Y.; Liou, K. N.; Leung, L. R.; Hsu, H. -H.

    2014-12-15

    We investigate 3-D mountain effects on solar flux distributions and their impact on surface hydrology over the Western United States, specifically the Rocky Mountains and Sierra Nevada using CCSM4 (CAM4/CLM4) global model with a 0.23° × 0.31° resolution for simulations over 6 years. In 3-D radiative transfer parameterization, we have updated surface topography data from a resolution of 1 km to 90 m to improve parameterization accuracy. In addition, we have also modified the upward-flux deviation [3-D - PP (plane-parallel)] adjustment to ensure that energy balance at the surface is conserved in global climate simulations based on 3-D radiation parameterization.more » We show that deviations of the net surface fluxes are not only affected by 3-D mountains, but also influenced by feedbacks of cloud and snow in association with the long-term simulations. Deviations in sensible heat and surface temperature generally follow the patterns of net surface solar flux. The monthly snow water equivalent (SWE) deviations show an increase in lower elevations due to reduced snowmelt, leading to a reduction in cumulative runoff. Over higher elevation areas, negative SWE deviations are found because of increased solar radiation available at the surface. Simulated precipitation increases for lower elevations, while decreases for higher elevations with a minimum in April. Liquid runoff significantly decreases in higher elevations after April due to reduced SWE and precipitation.« less

  6. A global model simulation for 3-D radiative transfer impact on surface hydrology over the Sierra Nevada and Rocky Mountains

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

    Lee, W.-L.; Gu, Y.; Liou, K. N.; Leung, L. R.; Hsu, H.-H.

    2015-05-19

    We investigate 3-D mountain effects on solar flux distributions and their impact on surface hydrology over the western United States, specifically the Rocky Mountains and the Sierra Nevada, using the global CCSM4 (Community Climate System Model version 4; Community Atmosphere Model/Community Land Model – CAM4/CLM4) with a 0.23° × 0.31° resolution for simulations over 6 years. In a 3-D radiative transfer parameterization, we have updated surface topography data from a resolution of 1 km to 90 m to improve parameterization accuracy. In addition, we have also modified the upward-flux deviation (3-D–PP (plane-parallel)) adjustment to ensure that the energy balance atmore » the surface is conserved in global climate simulations based on 3-D radiation parameterization. We show that deviations in the net surface fluxes are not only affected by 3-D mountains but also influenced by feedbacks of cloud and snow in association with the long-term simulations. Deviations in sensible heat and surface temperature generally follow the patterns of net surface solar flux. The monthly snow water equivalent (SWE) deviations show an increase in lower elevations due to reduced snowmelt, leading to a reduction in cumulative runoff. Over higher-elevation areas, negative SWE deviations are found because of increased solar radiation available at the surface. Simulated precipitation increases for lower elevations, while it decreases for higher elevations, with a minimum in April. Liquid runoff significantly decreases at higher elevations after April due to reduced SWE and precipitation.« less

  7. Improving Surface Radiation in a Satellite-Based Physical Model (Poster)

    SciTech Connect (OSTI)

    Sengupta, M.; Habte, A.; Gotseff, P.

    2013-10-01

    This poster provides an overview of the solar resource assessment work needed to achieve high penetrations of concentrating solar power or photovoltaics on the grid.

  8. Implementation of Localized Corrosion in the Performance Assessment Model for Yucca Mountain

    SciTech Connect (OSTI)

    Vivek Jain, S. David Sevougian, Patrick D. Mattie, Kevin G. Mon, and Robert J. Mackinnon

    2006-04-30

    A total system performance assessment (TSPA) model has been developed to analyze the ability of the natural and engineered barriers of the Yucca Mountain repository to isolate nuclear waste over the 10,000-year period following repository closure. The principal features of the engineered barrier system (EBS) are emplacement tunnels (or ''drifts'') containing a two-layer waste package (WP) for waste containment and a titanium drip shield to protect the waste package from seeping water and falling rock, The 20-mm-thick outer shell of the WP is composed of Alloy 22, a highly corrosion-resistant nickel-based alloy. The barrier function of the EBS is to isolate the waste from migrating water. The water and its associated chemical conditions eventually lead to degradation of the waste packages and mobilization of the radionuclides within the packages. There are five possible waste package degradation modes of the Alloy 22: general corrosion, microbially influenced corrosion, stress corrosion cracking, early failure due to manufacturing defects, and localized corrosion. This paper specifically examines the incorporation of the Alloy-22 localized corrosion model into the Yucca Mountain TSPA model, particularly the abstraction and modeling methodology, as well as issues dealing with scaling, spatial variability, uncertainty, and coupling to other sub-models that are part of the total system model.

  9. Economic analysis and assessment of syngas production using a modeling approach

    SciTech Connect (OSTI)

    Kim, Hakkwan; Parajuli, Prem B.; Yu, Fei; Columbus, Eugene P.

    2011-08-10

    Economic analysis and modeling are essential and important issues for the development of current feedstock and process technology for bio-gasification. The objective of this study was to develop an economic model and apply to predict the unit cost of syngas production from a micro-scale bio-gasification facility. An economic model was programmed in C++ computer programming language and developed using a parametric cost approach, which included processes to calculate the total capital costs and the total operating costs. The model used measured economic data from the bio-gasification facility at Mississippi State University. The modeling results showed that the unit cost of syngas production was $1.217 for a 60 Nm-3 h-1 capacity bio-gasifier. The operating cost was the major part of the total production cost. The equipment purchase cost and the labor cost were the largest part of the total capital cost and the total operating cost, respectively. Sensitivity analysis indicated that labor costs rank the top as followed by equipment cost, loan life, feedstock cost, interest rate, utility cost, and waste treatment cost. The unit cost of syngas production increased with the increase of all parameters with exception of loan life. The annual cost regarding equipment, labor, feedstock, waste treatment, and utility cost showed a linear relationship with percent changes, while loan life and annual interest rate showed a non-linear relationship. This study provides the useful information for economic analysis and assessment of the syngas production using a modeling approach.

  10. Applying GIS characterizing and modeling contaminant transport in surface water at Los Alamos National Laboratory

    SciTech Connect (OSTI)

    Becker, N.M.; Van Eeckhout, E.; David, N.A.; Irvine, J.M.

    1995-10-01

    During World War II, Los Alamos, New Mexico was chosen as the site for the secret development of the first atomic bomb. The remote location in the southwestern United States was ideal for such a project. After the war, research activities continued at the Los Alamos installation, focusing on new nuclear weapons models as well as greater effectiveness and reliability of existing weapons. Due to the emphasis on nuclear and non-nuclear weapons development as well as associated nuclear research, a large inventory of radionuclides and heavy metals have been tested, expended, and disposed of in the local environment, a high plateau of tuffaceous volcanic rocks incised by deep canyons in a semi-arid climate. In recent years an intensive evaluation of the environmental, impact of weapons testing at Los Alamos and elsewhere has been undertaken. GIS system utilization and image processing of past and current data has been an important part of this evaluation. Important problems can be more easily displayed and understood using this methodology. The main objective in this paper is to illustrate how transport of depleted uranium and associated heavy metals (copper in this case) used in dynamic testing of weapons components at open air firing sites can be evaluated and visualized. In our studies, surface water has been found to be the predominant transport mechanism. We have sampled soils, sediments, fallout, runoff water and snowmelt over a number of years in order to understand contaminant transport on- and offsite. Statistical analyses of these data have assisted in our characterization of issues such as contaminant variability, spatially and temporally, as well as in development of transport rates.

  11. Modeling and Quantification of Team Performance in Human Reliability Analysis for Probabilistic Risk Assessment

    SciTech Connect (OSTI)

    Jeffrey C. JOe; Ronald L. Boring

    2014-06-01

    Probabilistic Risk Assessment (PRA) and Human Reliability Assessment (HRA) are important technical contributors to the United States (U.S.) Nuclear Regulatory Commission’s (NRC) risk-informed and performance based approach to regulating U.S. commercial nuclear activities. Furthermore, all currently operating commercial NPPs in the U.S. are required by federal regulation to be staffed with crews of operators. Yet, aspects of team performance are underspecified in most HRA methods that are widely used in the nuclear industry. There are a variety of "emergent" team cognition and teamwork errors (e.g., communication errors) that are 1) distinct from individual human errors, and 2) important to understand from a PRA perspective. The lack of robust models or quantification of team performance is an issue that affects the accuracy and validity of HRA methods and models, leading to significant uncertainty in estimating HEPs. This paper describes research that has the objective to model and quantify team dynamics and teamwork within NPP control room crews for risk informed applications, thereby improving the technical basis of HRA, which improves the risk-informed approach the NRC uses to regulate the U.S. commercial nuclear industry.

  12. Balancing global water availability and use at basin scale in an integrated assessment model

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

    Kim, Son H.; Hejazi, Mohamad; Liu, Lu; Calvin, Katherine; Clarke, Leon; Edmonds, Jae; Kyle, Page; Patel, Pralit; Wise, Marshall; Davies, Evan

    2016-01-22

    Water is essential for the world’s food supply, for energy production, including bioenergy and hydroelectric power, and for power system cooling. Water is already scarce in many regions of the world and could present a critical constraint as society attempts simultaneously to mitigate climate forcing and adapt to climate change, and to provide for a larger and more prosperous human population. Numerous studies have pointed to growing pressures on the world’s scarce fresh water resources from population and economic growth, and climate change. This study goes further. We use the Global Change Assessment Model to analyze interactions between population, economicmore » growth, energy, land, and water resources simultaneously in a dynamically evolving system where competing claims on water resources from all claimants—energy, land, and economy—are reconciled with water resource availability—from renewable water, non-renewable groundwater and desalinated water sources —across 14 geopolitical regions, 151 agriculture-ecological zones, and 235 major river basins. We find that previous estimates of global water withdrawal projections are overestimated. Model simulations show that it is more economical in some basins to alter agricultural and energy activities rather than utilize non-renewable groundwater or desalinated water. Lastly, this study highlights the importance of accounting for water as a binding factor in agriculture, energy and land use decisions in integrated assessment models and implications for global responses to water scarcity, particularly in the trade of agricultural commodities and land-use decisions.« less

  13. MODEL-BASED HYDROACOUSTIC BLOCKAGE ASSESSMENT AND DEVELOPMENT OF AN EXPLOSIVE SOURCE DATABASE

    SciTech Connect (OSTI)

    Matzel, E; Ramirez, A; Harben, P

    2005-07-11

    We are continuing the development of the Hydroacoustic Blockage Assessment Tool (HABAT) which is designed for use by analysts to predict which hydroacoustic monitoring stations can be used in discrimination analysis for any particular event. The research involves two approaches (1) model-based assessment of blockage, and (2) ground-truth data-based assessment of blockage. The tool presents the analyst with a map of the world, and plots raypath blockages from stations to sources. The analyst inputs source locations and blockage criteria, and the tool returns a list of blockage status from all source locations to all hydroacoustic stations. We are currently using the tool in an assessment of blockage criteria for simple direct-path arrivals. Hydroacoustic data, predominantly from earthquake sources, are read in and assessed for blockage at all available stations. Several measures are taken. First, can the event be observed at a station above background noise? Second, can we establish backazimuth from the station to the source. Third, how large is the decibel drop at one station relative to other stations. These observational results are then compared with model estimates to identify the best set of blockage criteria and used to create a set of blockage maps for each station. The model-based estimates are currently limited by the coarse bathymetry of existing databases and by the limitations inherent in the raytrace method. In collaboration with BBN Inc., the Hydroacoustic Coverage Assessment Model (HydroCAM) that generates the blockage files that serve as input to HABAT, is being extended to include high-resolution bathymetry databases in key areas that increase model-based blockage assessment reliability. An important aspect of this capability is to eventually include reflected T-phases where they reliably occur and to identify the associated reflectors. To assess how well any given hydroacoustic discriminant works in separating earthquake and in-water explosion

  14. Modeling the Effects of Irrigation on Land Surface Fluxes and States over the Conterminous United States: Sensitivity to Input Data and Model Parameters

    SciTech Connect (OSTI)

    Leng, Guoyong; Huang, Maoyi; Tang, Qiuhong; Sacks, William J.; Lei, Huimin; Leung, Lai-Yung R.

    2013-09-16

    Previous studies on irrigation impacts on land surface fluxes/states were mainly conducted as sensitivity experiments, with limited analysis of uncertainties from the input data and model irrigation schemes used. In this study, we calibrated and evaluated the performance of irrigation water use simulated by the Community Land Model version 4 (CLM4) against observations from agriculture census. We investigated the impacts of irrigation on land surface fluxes and states over the conterminous United States (CONUS) and explored possible directions of improvement. Specifically, we found large uncertainty in the irrigation area data from two widely used sources and CLM4 tended to produce unrealistically large temporal variations of irrigation demand for applications at the water resources region scale over CONUS. At seasonal to interannual time scales, the effects of irrigation on surface energy partitioning appeared to be large and persistent, and more pronounced in dry than wet years. Even with model calibration to yield overall good agreement with the irrigation amounts from the National Agricultural Statistics Service (NASS), differences between the two irrigation area datasets still dominate the differences in the interannual variability of land surface response to irrigation. Our results suggest that irrigation amount simulated by CLM4 can be improved by (1) calibrating model parameter values to account for regional differences in irrigation demand and (2) accurate representation of the spatial distribution and intensity of irrigated areas.

  15. AURORA: A FORTRAN program for modeling well stirred plasma and thermal reactors with gas and surface reactions

    SciTech Connect (OSTI)

    Meeks, E.; Grcar, J.F.; Kee, R.J.; Moffat, H.K.

    1996-02-01

    The AURORA Software is a FORTRAN computer program that predicts the steady-state or time-averaged properties of a well mixed or perfectly stirred reactor for plasma or thermal chemistry systems. The software was based on the previously released software, SURFACE PSR which was written for application to thermal CVD reactor systems. AURORA allows modeling of non-thermal, plasma reactors with the determination of ion and electron concentrations and the electron temperature, in addition to the neutral radical species concentrations. Well stirred reactors are characterized by a reactor volume, residence time or mass flow rate, heat loss or gas temperature, surface area, surface temperature, the incoming temperature and mixture composition, as well as the power deposited into the plasma for non-thermal systems. The model described here accounts for finite-rate elementary chemical reactions both in the gas phase and on the surface. The governing equations are a system of nonlinear algebraic relations. The program solves these equations using a hybrid Newton/time-integration method embodied by the software package TWOPNT. The program runs in conjunction with the new CHEMKIN-III and SURFACE CHEMKIN-III packages, which handle the chemical reaction mechanisms for thermal and non-thermal systems. CHEMKIN-III allows for specification of electron-impact reactions, excitation losses, and elastic-collision losses for electrons.

  16. Considerations for modeling small-particulate impacts from surface coal-mining operations based on wind-tunnel simulations

    SciTech Connect (OSTI)

    Perry, S.G.; Petersen, W.B.; Thompson, R.S.

    1994-12-31

    The Clean Air Act Amendments of 1990 provide for a reexamination of the current Environmental Protection Agency`s (USEPA) methods for modeling fugitive particulate (PM10) from open-pit, surface coal mines. The Industrial Source Complex Model (ISCST2) is specifically named as the method that needs further study. Title II, Part B, Section 234 of the Amendments states that {open_quotes}...the Administrator shall analyze the accuracy of such model and emission factors and make revisions as may be necessary to eliminate any significant over-predictions of air quality effect of fugitive particulate emissions from such sources.{close_quotes}

  17. Assessment of Multi-Scale T/H Codes and Models for DNB CP

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

    Assessment of Multi-Scale Thermal-Hydraulic Codes and Models for DNB Challenge Problem Applications L3.AMA.CP.P8.01 Yixing Sung, Jin Yan, Liping Cao, Vefa N. Kucukboyaci, Emre Tatli Westinghouse Electric Company LLC Mark A. Christon, Jozsef Bakosi Los Alamos National Laboratories Robert K. Salko Oak Ridge National Laboratories Hongbin Zhang Idaho National Laboratory March 31, 2014 CASL-U-2014-0032-000 L3.AMA.CP.P8.01 ii CASL-U-2014-0032-000 REVISION LOG Revision Date Affected Pages Revision

  18. Surface Protonation at the Rutile (110) Interface: Explicit Incorporation of Solvation Structure within the Refined MUSIC Model Framework

    SciTech Connect (OSTI)

    Machesky, Michael L.; Predota, M.; Wesolowski, David J

    2008-11-01

    The detailed solvation structure at the (110) surface of rutile ({alpha}-TiO{sub 2}) in contact with bulk liquid water has been obtained primarily from experimentally verified classical molecular dynamics (CMD) simulations of the ab initio-optimized surface in contact with SPC/E water. The results are used to explicitly quantify H-bonding interactions, which are then used within the refined MUSIC model framework to predict surface oxygen protonation constants. Quantum mechanical molecular dynamics (QMD) simulations in the presence of freely dissociable water molecules produced H-bond distributions around deprotonated surface oxygens very similar to those obtained by CMD with nondissociable SPC/E water, thereby confirming that the less computationally intensive CMD simulations provide accurate H-bond information. Utilizing this H-bond information within the refined MUSIC model, along with manually adjusted Ti-O surface bond lengths that are nonetheless within 0.05 {angstrom} of those obtained from static density functional theory (DFT) calculations and measured in X-ray reflectivity experiments (as well as bulk crystal values), give surface protonation constants that result in a calculated zero net proton charge pH value (pHznpc) at 25 C that agrees quantitatively with the experimentally determined value (5.4 {+-} 0.2) for a specific rutile powder dominated by the (110) crystal face. Moreover, the predicted pH{sub znpc} values agree to within 0.1 pH unit with those measured at all temperatures between 10 and 250 C. A slightly smaller manual adjustment of the DFT-derived Ti-O surface bond lengths was sufficient to bring the predicted pH{sub znpc} value of the rutile (110) surface at 25 C into quantitative agreement with the experimental value (4.8 {+-} 0.3) obtained from a polished and annealed rutile (110) single crystal surface in contact with dilute sodium nitrate solutions using second harmonic generation (SHG) intensity measurements as a function of ionic

  19. Modeling the inhalation exposure pathway in performance assessment of Geologic Radioactive Waste Repository at Yucca Mountain

    SciTech Connect (OSTI)

    Wasiolek, M.A.; Rautenstrauch, K.R.

    2007-07-01

    This paper describes the inhalation model for estimating radiation exposure to resuspended particles of contaminated soil. The source of radionuclides is from the use of contaminated water for crop irrigation. The choice of conceptual model and input parameter values strongly depends on site-specific conditions. This paper explains how the site-specific conditions influenced the inhalation exposure model for the Yucca Mountain performance assessment. The model parameters that were developed with consideration of the local conditions represent characteristics of the environment as well as the characteristic of the receptor occupying that environment. The model is based on the mass loading approach and the key parameters are mass loading levels that the receptor might be exposed to. Also important is the degree to which human soil disturbance results in higher mass loading levels, - the degree of enhancement (enrichment) in radionuclide content of the resuspended dust, and - the occupancy periods for exposure to various levels of particulate concentration in air. The significance of dosimetric parameters is also discussed. (authors)

  20. Atomistic simulation of laser-pulse surface modification: Predictions of models with various length and time scales

    SciTech Connect (OSTI)

    Starikov, Sergey V. Pisarev, Vasily V.

    2015-04-07

    In this work, the femtosecond laser pulse modification of surface is studied for aluminium (Al) and gold (Au) by use of two-temperature atomistic simulation. The results are obtained for various atomistic models with different scales: from pseudo-one-dimensional to full-scale three-dimensional simulation. The surface modification after laser irradiation can be caused by ablation and melting. For low energy laser pulses, the nanoscale ripples may be induced on a surface by melting without laser ablation. In this case, nanoscale changes of the surface are due to a splash of molten metal under temperature gradient. Laser ablation occurs at a higher pulse energy when a crater is formed on the surface. There are essential differences between Al ablation and Au ablation. In the first step of shock-wave induced ablation, swelling and void formation occur for both metals. However, the simulation of ablation in gold shows an additional athermal type of ablation that is associated with electron pressure relaxation. This type of ablation takes place at the surface layer, at a depth of several nanometers, and does not induce swelling.

  1. Sensitivity of Surface Flux Simulations to Hydrologic Parameters Based on an Uncertainty Quantification Framework Applied to the Community Land Model

    SciTech Connect (OSTI)

    Hou, Zhangshuan; Huang, Maoyi; Leung, Lai-Yung R.; Lin, Guang; Ricciuto, Daniel M.

    2012-08-10

    Uncertainties in hydrologic parameters could have significant impacts on the simulated water and energy fluxes and land surface states, which will in turn affect atmospheric processes and the carbon cycle. Quantifying such uncertainties is an important step toward better understanding and quantification of uncertainty of integrated earth system models. In this paper, we introduce an uncertainty quantification (UQ) framework to analyze sensitivity of simulated surface fluxes to selected hydrologic parameters in the Community Land Model (CLM4) through forward modeling. Thirteen flux tower footprints spanning a wide range of climate and site conditions were selected to perform sensitivity analyses by perturbing the parameters identified. In the UQ framework, prior information about the parameters was used to quantify the input uncertainty using the Minimum-Relative-Entropy approach. The quasi-Monte Carlo approach was applied to generate samples of parameters on the basis of the prior pdfs. Simulations corresponding to sampled parameter sets were used to generate response curves and response surfaces and statistical tests were used to rank the significance of the parameters for output responses including latent (LH) and sensible heat (SH) fluxes. Overall, the CLM4 simulated LH and SH show the largest sensitivity to subsurface runoff generation parameters. However, study sites with deep root vegetation are also affected by surface runoff parameters, while sites with shallow root zones are also sensitive to the vadose zone soil water parameters. Generally, sites with finer soil texture and shallower rooting systems tend to have larger sensitivity of outputs to the parameters. Our results suggest the necessity of and possible ways for parameter inversion/calibration using available measurements of latent/sensible heat fluxes to obtain the optimal parameter set for CLM4. This study also provided guidance on reduction of parameter set dimensionality and parameter

  2. Probabilistic performance-assessment modeling of the mixed waste landfill at Sandia National Laboratories.

    SciTech Connect (OSTI)

    Peace, Gerald L.; Goering, Timothy James; Miller, Mark Laverne; Ho, Clifford Kuofei

    2007-01-01

    A probabilistic performance assessment has been conducted to evaluate the fate and transport of radionuclides (americium-241, cesium-137, cobalt-60, plutonium-238, plutonium-239, radium-226, radon-222, strontium-90, thorium-232, tritium, uranium-238), heavy metals (lead and cadmium), and volatile organic compounds (VOCs) at the Mixed Waste Landfill (MWL). Probabilistic analyses were performed to quantify uncertainties inherent in the system and models for a 1,000-year period, and sensitivity analyses were performed to identify parameters and processes that were most important to the simulated performance metrics. Comparisons between simulated results and measured values at the MWL were made to gain confidence in the models and perform calibrations when data were available. In addition, long-term monitoring requirements and triggers were recommended based on the results of the quantified uncertainty and sensitivity analyses.

  3. Performance of corrosion inhibiting admixtures for structural concrete -- assessment methods and predictive modeling

    SciTech Connect (OSTI)

    Yunovich, M.; Thompson, N.G.

    1998-12-31

    During the past fifteen years corrosion inhibiting admixtures (CIAs) have become increasingly popular for protection of reinforced components of highway bridges and other structures from damage induced by chlorides. However, there remains considerable debate about the benefits of CIAs in concrete. A variety of testing methods to assess the performance of CIA have been reported in the literature, ranging from tests in simulated pore solutions to long-term exposures of concrete slabs. The paper reviews the published techniques and recommends the methods which would make up a comprehensive CIA effectiveness testing program. The results of this set of tests would provide the data which can be used to rank the presently commercially available CIA and future candidate formulations utilizing a proposed predictive model. The model is based on relatively short-term laboratory testing and considers several phases of a service life of a structure (corrosion initiation, corrosion propagation without damage, and damage to the structure).

  4. Prototype integration of the joint munitions assessment and planning model with the OSD threat methodology

    SciTech Connect (OSTI)

    Lynn, R.Y.S.; Bolmarcich, J.J.

    1994-06-01

    The purpose of this Memorandum is to propose a prototype procedure which the Office of Munitions might employ to exercise, in a supportive joint fashion, two of its High Level Conventional Munitions Models, namely, the OSD Threat Methodology and the Joint Munitions Assessment and Planning (JMAP) model. The joint application of JMAP and the OSD Threat Methodology provides a tool to optimize munitions stockpiles. The remainder of this Memorandum comprises five parts. The first is a description of the structure and use of the OSD Threat Methodology. The second is a description of JMAP and its use. The third discusses the concept of the joint application of JMAP and OSD Threat Methodology. The fourth displays sample output of the joint application. The fifth is a summary and epilogue. Finally, three appendices contain details of the formulation, data, and computer code.

  5. Modeling and Risk Assessment of CO2 Sequestration at the Geologic-basin Scale

    SciTech Connect (OSTI)

    Juanes, Ruben

    2013-11-30

    The overall objective of this proposal was to develop tools for better understanding, modeling and risk assessment of CO2 permanence in geologic formations at the geologic basin scale.

  6. Result Summary for the Area 5 Radioactive Waste Management Site Performance Assessment Model Version 4.113

    SciTech Connect (OSTI)

    Shott, G. J.

    2012-04-15

    Preliminary results for Version 4.113 of the Nevada National Security Site Area 5 Radioactive Waste Management Site performance assessment model are summarized. Version 4.113 includes the Fiscal Year 2011 inventory estimate.

  7. Overview of HyRAM (Hydrogen Risk Assessment Models) Software for Science-Based Safety, Codes, and Standards Webinar

    Broader source: Energy.gov [DOE]

    Access the recording and download the presentation slides from the Fuel Cell Technologies Office webinar "Overview of HyRAM (Hydrogen Risk Assessment Models) Software for Science-Based Safety, Codes, and Standards" held on April 26, 2016.

  8. A joint discussion model for assessing safety, health, and environmental risks

    SciTech Connect (OSTI)

    Abbott, R.E.

    1995-12-01

    Industries competing in the global marketplace constantly evaluate potential opportunities for joint ventures and partnerships all over the world. In the petroleum industry, these prospects to explore for and produce oil and gas range geographically from densely populated areas, to offshore, to the remote reaches of a tropical rainforest. There are numerous risks associated with these prospects which must be assessed so that the best investments are selected. The risk categories include: commercial, technical geological, political and safety, health and environmental (SHE). SHE risks are sometimes the most difficult to assess within businesses because they do not allow an easy evaluation of economic impact or other quantification. Additionally, these issues are often not familiar to business development personnel and consequently are not evaluated on an equal basis with other risk criteria. This paper presents a joint discussion model that facilitates the communication between SHE personnel and other members of the multi-disciplinary teams responsible for evaluating and selecting the most attractive prospects. This tool uses a simple approach in contrast to the many quantitative decision-making software products currently available. It provides a set of questions related to relevant SHE issues, establishes a way to approximate the level of uncertainty in the answers, and sums the results so that a comparison among prospects is possible. In the end, a more rigorous, consistent SHE assessment of all prospects is made, and the rationale for each decision is archived so that improvement in the process over time is made easier.

  9. Assessing the toxic effects of ethylene glycol ethers using Quantitative Structure Toxicity Relationship models

    SciTech Connect (OSTI)

    Ruiz, Patricia; Mumtaz, Moiz; Gombar, Vijay

    2011-07-15

    Experimental determination of toxicity profiles consumes a great deal of time, money, and other resources. Consequently, businesses, societies, and regulators strive for reliable alternatives such as Quantitative Structure Toxicity Relationship (QSTR) models to fill gaps in toxicity profiles of compounds of concern to human health. The use of glycol ethers and their health effects have recently attracted the attention of international organizations such as the World Health Organization (WHO). The board members of Concise International Chemical Assessment Documents (CICAD) recently identified inadequate testing as well as gaps in toxicity profiles of ethylene glycol mono-n-alkyl ethers (EGEs). The CICAD board requested the ATSDR Computational Toxicology and Methods Development Laboratory to conduct QSTR assessments of certain specific toxicity endpoints for these chemicals. In order to evaluate the potential health effects of EGEs, CICAD proposed a critical QSTR analysis of the mutagenicity, carcinogenicity, and developmental effects of EGEs and other selected chemicals. We report here results of the application of QSTRs to assess rodent carcinogenicity, mutagenicity, and developmental toxicity of four EGEs: 2-methoxyethanol, 2-ethoxyethanol, 2-propoxyethanol, and 2-butoxyethanol and their metabolites. Neither mutagenicity nor carcinogenicity is indicated for the parent compounds, but these compounds are predicted to be developmental toxicants. The predicted toxicity effects were subjected to reverse QSTR (rQSTR) analysis to identify structural attributes that may be the main drivers of the developmental toxicity potential of these compounds.

  10. Improving the behavioral realism of global integrated assessment models: An application to consumers’ vehicle choices

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

    McCollum, David L.; Wilson, Charlie; Pettifor, Hazel; Ramea, Kalai; Krey, Volker; Riahi, Keywan; Bertram, Christoph; Lin, Zhenhong; Edelenbosch, Oreane Y.; Fujisawa, Sei

    2016-05-03

    A large body of transport sector-focused research recognizes the complexity of human behavior in relation to mobility. Yet, global integrated assessment models (IAMs), which are widely used to evaluate the costs, potentials, and consequences of different greenhouse gas emission trajectories over the medium-to-long term, typically represent behavior and the end use of energy as a simple rational choice between available alternatives, even though abundant empirical evidence shows that real-world decision making is more complex and less routinely rational. This paper demonstrates the value of incorporating certain features of consumer behavior in IAMs, focusing on light-duty vehicle (LDV) purchase decisions. Anmore » innovative model formulation is developed to represent heterogeneous consumer groups with varying preferences for vehicle novelty, range, refueling/recharging availability, and variety. The formulation is then implemented in the transport module of MESSAGE-Transport, a global IAM, although it also has the generic flexibility to be applied in energy-economy models with varying set-ups. Comparison of conventional and behaviorally-realistic model runs with respect to vehicle purchase decisions shows that consumer preferences may slow down the transition to alternative fuel (low-carbon) vehicles. Consequently, stronger price-based incentives and/or non-price based measures may be needed to transform the global fleet of passenger vehicles, at least in the initial market phases of novel alternatives. Otherwise, the mitigation burden borne by other transport sub-sectors and other energy sectors could be higher than previously estimated. Moreover, capturing behavioral features of energy consumers in global IAMs increases their usefulness to policy makers by allowing a more realistic assessment of a more diverse suite of policies.« less

  11. 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.

  12. Numerical Modeling of the Lake Mary Road Bridge for Foundation Reuse Assessment

    SciTech Connect (OSTI)

    Sitek, M. A.; Bojanowski, C.; Lottes, S. A.

    2015-04-01

    This project uses numerical techniques to assess the structural integrity and capacity of the bridge foundations and, as a result, reduces the risk associated with reusing the same foundation for a new superstructure. Nondestructive test methods of different types were used in combination with the numerical modeling and analysis. The onsite tests included visual inspection, tomography, ground penetrating radar, drilling boreholes and coreholes, and the laboratory tests on recovered samples. The results were utilized to identify the current geometry of the structure with foundation, including the hidden geometry of the abutments and piers, and soil and foundation material properties. This data was used to build the numerical models and run computational analyses on a high performance computer cluster to assess the structural integrity of the bridge and foundations including the suitability of the foundation for reuse with a new superstructure and traffic that will increase the load on the foundations. Computational analysis is more cost-effective and gives an advantage of getting more detailed knowledge about the structural response. It also enables to go beyond non-destructive testing and find the failure conditions without destroying the structure under consideration.

  13. Economic assessment of the impact on coal production due to enforcement of the Surface Mining Control and Reclamation Act of 1977. Benefits report. Volume 1. Final report

    SciTech Connect (OSTI)

    Kyle, T.N.; McOmber, R.M.; Roberts, J.M.

    1980-10-31

    The study assesses the major economic benefits and costs that are associated with the enforcement of the Surface Mining Control and Reclamation ACt (SMCRA). The report addresses the benefits of surface coal mining and land reclamation that follow from the Act. As originally conceived, the study was to evaluate, preferably in monetary terms, the specific benefits and socio-economic impacts of SMCRA. However, it was apparent, in the course of the initial analysis, that historical evaluation of specific benefits and socio-economic/environmental impacts is complicated by the short time that SMCRA has been in operation. It was also apparent that development of substantive, and defensible, quantified estimates of benefits and impacts is hindered by the absence of a great deal of needed numerical data, and by incomplete understanding of the reclamation processes that the Act is intended to enhance. Rather than attempt to evaluate specific benefits and socio-economic/environmental impacts, the study evaluated existing research studies on the impacts of surface mining, land reclamation, and SMCRA, and evaluated existing data sources relevant to surface mining, land reclamation, and SMCRA.

  14. CONTAIN code analyses of direct containment heating (DCH) experiments: Model assessment and phenomenological interpretation

    SciTech Connect (OSTI)

    Williams, D.C.; Griffith, R.O.; Tadios, E.L.; Washington, K.E.

    1995-05-12

    Models for direct containment heating (DCH) in the CONTAIN code for severe accident analysis have been reviewed and a standard input prescription for their use has been defined. The code has been exercised against a large subset of the available DCH data base. Generally good agreement with the experimental results for containment pressurization ({Delta}P) and hydrogen generation has been obtained. Extensive sensitivity studies have been performed which permit assessment of many of the strengths and weaknesses of specific model features. These include models for debris transport and trapping, DCH heat transfer and chemistry, atmosphere-structure heat transfer, interactions between nonairborne debris and blowdown steam, potential effects of debris-water interactions, and hydrogen combustion under DCH conditions. Containment compartmentalization is an important DCH mitigator in the calculations, in agreement with experimental results. The CONTAIN model includes partially parametric treatments for some processes that are not well understood. The importance of the associated uncertainties depends upon the details of the DCH scenario being analyzed. Recommended sensitivity studies are summarized that allow the user to obtain a reasonable estimate of the uncertainties in the calculated results.

  15. Assessment of model estimates of land-atmosphere CO2 exchange across Northern Eurasia

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

    Rawlins, M. A.; McGuire, A. D.; Kimball, J. S.; Dass, P.; Lawrence, D.; Burke, E.; Chen, X.; Delire, C.; Koven, C.; MacDougall, A.; et al

    2015-07-28

    A warming climate is altering land-atmosphere exchanges of carbon, with a potential for increased vegetation productivity as well as the mobilization of permafrost soil carbon stores. Here we investigate land-atmosphere carbon dioxide (CO2) cycling through analysis of net ecosystem productivity (NEP) and its component fluxes of gross primary productivity (GPP) and ecosystem respiration (ER) and soil carbon residence time, simulated by a set of land surface models (LSMs) over a region spanning the drainage basin of Northern Eurasia. The retrospective simulations cover the period 1960–2009 at 0.5° resolution, which is a scale common among many global carbon and climate modelmore » simulations. Model performance benchmarks were drawn from comparisons against both observed CO2 fluxes derived from site-based eddy covariance measurements as well as regional-scale GPP estimates based on satellite remote-sensing data. The site-based comparisons depict a tendency for overestimates in GPP and ER for several of the models, particularly at the two sites to the south. For several models the spatial pattern in GPP explains less than half the variance in the MODIS MOD17 GPP product. Across the models NEP increases by as little as 0.01 to as much as 0.79 g C m⁻² yr⁻², equivalent to 3 to 340 % of the respective model means, over the analysis period. For the multimodel average the increase is 135 % of the mean from the first to last 10 years of record (1960–1969 vs. 2000–2009), with a weakening CO2 sink over the latter decades. Vegetation net primary productivity increased by 8 to 30 % from the first to last 10 years, contributing to soil carbon storage gains. The range in regional mean NEP among the group is twice the multimodel mean, indicative of the uncertainty in CO2 sink strength. The models simulate that inputs to the soil carbon pool exceeded losses, resulting in a net soil carbon gain amid a decrease in residence time. Our analysis points to improvements in

  16. Preliminary performance assessment for the Waste Isolation Pilot Plant, December 1992. Volume 3, Model parameters: Sandia WIPP Project

    SciTech Connect (OSTI)

    Not Available

    1992-12-29

    This volume documents model parameters chosen as of July 1992 that were used by the Performance Assessment Department of Sandia National Laboratories in its 1992 preliminary performance assessment of the Waste Isolation Pilot Plant (WIPP). Ranges and distributions for about 300 modeling parameters in the current secondary data base are presented in tables for the geologic and engineered barriers, global materials (e.g., fluid properties), and agents that act upon the WIPP disposal system such as climate variability and human-intrusion boreholes. The 49 parameters sampled in the 1992 Preliminary Performance Assessment are given special emphasis with tables and graphics that provide insight and sources of data for each parameter.

  17. Probabilistic ecological risk assessment and source apportionment of polycyclic aromatic hydrocarbons in surface sediments from Yellow Sea

    SciTech Connect (OSTI)

    Liu, A.X.; Lang, Y.H.; Xue, L.D.; Liao, S.L.; Zhou, H.

    2009-11-15

    Based on the concentrations of polycyclic aromatic hydrocarbons (PAHs) in 12 surface sediment samples from Yellow Sea, the relative risk of 9 PAHs was investigated using joint risk probability distribution curves and overlapping area, which were generated based on the distributions of exposure and acute toxicity data (LC50), and the sources of PAHs were apportioned using principal component analysis. It was found that joint probability curve and overlapping area indicated the acceptable ecological risk of individual PAHs, only a small fraction of the benthic organisms was affected. Among the nine PAHs studied, the overall risk of pyrene was the highest, with that of naphthalene the lowest. For lower exposure levels at which the percentage of species affected was less than 10%, the risk associated with phenanthrene and fluorene were clearly higher than that of the other seven PAHs. It was indicated that PAHs in surface sediments mainly originated from vehicular emissions, coal combustion sources, coke oven emission and wood combustion, petroleum origin made little influence on sources of PAHs by PCA.

  18. Energy Performance Assessment of Radiant Cooling System through Modeling and Calibration at Component Level

    SciTech Connect (OSTI)

    Khan, Yasin; Mathur, Jyotirmay; Bhandari, Mahabir S

    2016-01-01

    The paper describes a case study of an information technology office building with a radiant cooling system and a conventional variable air volume (VAV) system installed side by side so that performancecan be compared. First, a 3D model of the building involving architecture, occupancy, and HVAC operation was developed in EnergyPlus, a simulation tool. Second, a different calibration methodology was applied to develop the base case for assessing the energy saving potential. This paper details the calibration of the whole building energy model to the component level, including lighting, equipment, and HVAC components such as chillers, pumps, cooling towers, fans, etc. Also a new methodology for the systematic selection of influence parameter has been developed for the calibration of a simulated model which requires large time for the execution. The error at the whole building level [measured in mean bias error (MBE)] is 0.2%, and the coefficient of variation of root mean square error (CvRMSE) is 3.2%. The total errors in HVAC at the hourly are MBE = 8.7% and CvRMSE = 23.9%, which meet the criteria of ASHRAE 14 (2002) for hourly calibration. Different suggestions have been pointed out to generalize the energy saving of radiant cooling system through the existing building system. So a base case model was developed by using the calibrated model for quantifying the energy saving potential of the radiant cooling system. It was found that a base case radiant cooling system integrated with DOAS can save 28% energy compared with the conventional VAV system.

  19. PERFLUOROCARBON GAS TRACER STUDIES TO SUPPORT RISK ASSESSMENT MODELING OF CRITICAL INFRASTRUCTURE SUBJECTED TO TERRORIST ATTACKS.

    SciTech Connect (OSTI)

    SULLIVAN, T.M.; HEISER, J.; WATSON, T.; ALLWINE, K.J.; FLAHERTY, J.E.

    2006-05-06

    Development of real-time predictive modeling to identify the dispersion and/or source(s) of airborne weapons of mass destruction including chemical, biological, radiological, and nuclear material in urban environments is needed to improve response to potential releases of these materials via either terrorist or accidental means. These models will also prove useful in defining airborne pollution dispersion in urban environments for pollution management/abatement programs. Predicting gas flow in an urban setting on a scale of less than a few kilometers is a complicated and challenging task due to the irregular flow paths that occur along streets and alleys and around buildings of different sizes and shapes, i.e., ''urban canyons''. In addition, air exchange between the outside and buildings and subway areas further complicate the situation. Transport models that are used to predict dispersion of WMD/CBRN materials or to back track the source of the release require high-density data and need defensible parameterizations of urban processes. Errors in the data or any of the parameter inputs or assumptions will lead to misidentification of the airborne spread or source release location(s). The need for these models to provide output in a real-time fashion if they are to be useful for emergency response provides another challenge. To improve the ability of New York City's (NYC's) emergency management teams and first response personnel to protect the public during releases of hazardous materials, the New York City Urban Dispersion Program (UDP) has been initiated. This is a four year research program being conducted from 2004 through 2007. This paper will discuss ground level and subway Perfluorocarbon tracer (PFT) release studies conducted in New York City. The studies released multiple tracers to study ground level and vertical transport of contaminants. This paper will discuss the results from these tests and how these results can be used for improving transport models

  20. Multiple soil nutrient competition between plants, microbes, and mineral surfaces: model development, parameterization, and example applications in several tropical forests

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

    Zhu, Q.; Riley, W. J.; Tang, J.; Koven, C. D.

    2015-03-05

    Soil is a complex system where biotic (e.g., plant roots, micro-organisms) and abiotic (e.g., mineral surfaces) consumers compete for resources necessary for life (e.g., nitrogen, phosphorus). This competition is ecologically significant, since it regulates the dynamics of soil nutrients and controls aboveground plant productivity. Here we develop, calibrate, and test a nutrient competition model that accounts for multiple soil nutrients interacting with multiple biotic and abiotic consumers. As applied here for tropical forests, the Nutrient COMpetition model (N-COM) includes three primary soil nutrients (NH4+, NO3?, and POx (representing the sum of PO43?, HPO42?, and H2PO4?)) and five potential competitors (plantmoreroots, decomposing microbes, nitrifiers, denitrifiers, and mineral surfaces). The competition is formulated with a quasi-steady-state chemical equilibrium approximation to account for substrate (multiple substrates share one consumer) and consumer (multiple consumers compete for one substrate) effects. N-COM successfully reproduced observed soil heterotrophic respiration, N2O emissions, free phosphorus, sorbed phosphorus, and free NH4+ at a tropical forest site (Tapajos). The overall model posterior uncertainty was moderately well constrained. Our sensitivity analysis revealed that soil nutrient competition was primarily regulated by consumer-substrate affinity rather than environmental factors such as soil temperature or soil moisture. Our results imply that the competitiveness (from most to least competitive) followed this order: (1) for NH4+, nitrifiers ~ decomposing microbes > plant roots, (2) for NO3?, denitrifiers ~ decomposing microbes > plant roots, (3) for POx, mineral surfaces > decomposing microbes ~ plant roots. Although smaller, plant relative competitiveness is of the same order of magnitude as microbes. We then applied the N-COM model to analyze field nitrogen and phosphorus perturbation experiments in two tropical forest sites (in

  1. Use of ARM Products in Reanalysis Applications and IPCC Model Assessment

    SciTech Connect (OSTI)

    Walsh, John E; Chapman, William L

    2011-09-30

    Year-3 of the project was spent developing an observed cloud climatology for Barrow, AK and relating the observed cloud fractions to the surface circulation patterns and locally observed winds. Armed with this information, we identified errors and sources of errors of cloud fraction simulations by numerical models in the Arctic. Specifically, we compared the cloud simulations output by the North American Regional Reanalysis (NARR) to corresponding observed cloud fractions obtained by the Department of Energy’s Atmospheric Radiation Measurement (ARM) program for four mid-season months: (January, April, July, and October). Reanalyses are obtained from numerical weather prediction models that are not run in real-time. Instead, a reanalysis model ingests a wide variety of historical observations for the purpose of producing a gridded dataset of many model-derived quantities that are as temporally homogeneous as possible. Therefore, reanalysis output can be used as a proxy for observations, although some biases and other errors are inevitable because of model parameterizations and observational gaps. In the observational analysis we documented the seasonality of cloudiness at the north slope including cloud base height and dependence on synoptic regime. We followed this with an evaluation of the associations of wind-speed and direction and cloud amounts in both the observational record and the reanalysis model. The Barrow cloud fraction data show that clear conditions are most often associated with anomalous high pressure to the north of Barrow, especially in spring and early summer. Overcast skies are most commonly associated with anomalous low pressure to the south. The observational analysis shows that low, boundary layer clouds are the most common type of cloud observed North Slope ARM observing site. However, these near-surface clouds are a major source of errors in the NARR simulations. When compared to observations, the NARR over-simulates the fraction of

  2. A Non-Electrostatic Surface Complexation Approach to Modeling Radionuclide Migration at the Nevada Test Site: II. Aluminosilicates

    SciTech Connect (OSTI)

    Zavarin, M; Bruton, C J

    2004-12-16

    Reliable quantitative prediction of contaminant transport in subsurface environments is critical to evaluating the risks associated with radionuclide migration. As part of the Underground Test Area (UGTA) program, radionuclide transport away from selected underground nuclear tests conducted in the saturated zone at the Nevada Test Site (NTS) is being examined. In the near-field environment, reactive transport simulations must account for changes in water chemistry and mineralogy as a function of time and their effect on radionuclide migration. Unlike the Kd approach, surface complexation reactions, in conjunction with ion exchange and precipitation, can be used to describe radionuclide reactive transport as a function of changing environmental conditions. They provide a more robust basis for describing radionuclide retardation in geochemically dynamic environments. In a companion report (Zavarin and Bruton, 2004), a database of radionuclide surface complexation reactions for calcite and iron oxide minerals was developed. In this report, a second set of reactions is developed: surface complexation (SC) and ion exchange (IE) to aluminosilicate minerals. The most simplified surface complexation model, the one-site non-electrostatic model (NEM), and the Vanselow IE model were used to fit a large number of published sorption data and a reaction constant database was developed. Surface complexation of Am(III), Eu(III), Np(V), Pu(IV), Pu(V), and U(VI) to aluminum oxide, silica, and aluminosilicate minerals was modeled using a generalized approach in which surface complexation to aluminosilicate >SiOH or >AlOH reactive sites was considered equivalent to the reactivity of aluminum oxide and silica reactive sites. Ion exchange was allowed to be mineral-dependent. The generalized NEM approach, in conjunction with Vanselow IE, was able to fit most published sorption data well. Fitting results indicate that surface complexation will dominate over ion exchange at pH >7 for the

  3. SOFTWARE QUALITY ASSURANCE FOR EMERGENCY RESPONSE CONSEQUENCE ASSESSMENT MODELS AT DOE'S SAVANNAH RIVER SITE

    SciTech Connect (OSTI)

    Hunter, C

    2007-12-17

    The Savannah River National Laboratory's (SRNL) Atmospheric Technologies Group develops, maintains, and operates computer-based software applications for use in emergency response consequence assessment at DOE's Savannah River Site. These applications range from straightforward, stand-alone Gaussian dispersion models run with simple meteorological input to complex computational software systems with supporting scripts that simulate highly dynamic atmospheric processes. A software quality assurance program has been developed to ensure appropriate lifecycle management of these software applications. This program was designed to meet fully the overall structure and intent of SRNL's institutional software QA programs, yet remain sufficiently practical to achieve the necessary level of control in a cost-effective manner. A general overview of this program is described.

  4. Extended defense systems :I. adversary-defender modeling grammar for vulnerability analysis and threat assessment.

    SciTech Connect (OSTI)

    Merkle, Peter Benedict

    2006-03-01

    Vulnerability analysis and threat assessment require systematic treatments of adversary and defender characteristics. This work addresses the need for a formal grammar for the modeling and analysis of adversary and defender engagements of interest to the National Nuclear Security Administration (NNSA). Analytical methods treating both linguistic and numerical information should ensure that neither aspect has disproportionate influence on assessment outcomes. The adversary-defender modeling (ADM) grammar employs classical set theory and notation. It is designed to incorporate contributions from subject matter experts in all relevant disciplines, without bias. The Attack Scenario Space U{sub S} is the set universe of all scenarios possible under physical laws. An attack scenario is a postulated event consisting of the active engagement of at least one adversary with at least one defended target. Target Information Space I{sub S} is the universe of information about targets and defenders. Adversary and defender groups are described by their respective Character super-sets, (A){sub P} and (D){sub F}. Each super-set contains six elements: Objectives, Knowledge, Veracity, Plans, Resources, and Skills. The Objectives are the desired end-state outcomes. Knowledge is comprised of empirical and theoretical a priori knowledge and emergent knowledge (learned during an attack), while Veracity is the correspondence of Knowledge with fact or outcome. Plans are ordered activity-task sequences (tuples) with logical contingencies. Resources are the a priori and opportunistic physical assets and intangible attributes applied to the execution of associated Plans elements. Skills for both adversary and defender include the assumed general and task competencies for the associated plan set, the realized value of competence in execution or exercise, and the opponent's planning assumption of the task competence.

  5. EXPERIMENTAL DESIGN APPLICATIONS FOR MODELING AND ASSESSING CARBON DIOXIDE SEQUESTRATION IN SALINE AQUIFERS

    SciTech Connect (OSTI)

    Rogers, John

    2014-08-31

    This project was a computer modeling effort to couple reservoir simulation and ED/RSM using Sensitivity Analysis, Uncertainty Analysis, and Optimization Methods, to assess geologic, geochemical, geomechanical, and rock-fluid effects and factors on CO2 injectivity, capacity, and plume migration. The project objective was to develop proxy models to simplify the highly complex coupled geochemical and geomechanical models in the utilization and storage of CO2 in the subsurface. The goals were to investigate and prove the feasibility of the ED/RSM processes and engineering development, and bridge the gaps regarding the uncertainty and unknowns of the many geochemical and geomechanical interacting parameters in the development and operation of anthropogenic CO2 sequestration and storage sites. The bottleneck in this workflow is the high computational effort of reactive transport simulation models and large number of input variables to optimize with ED/RSM techniques. The project was not to develop the reactive transport, geomechanical, or ED/RSM software, but was to use what was commercially and/or publically available as a proof of concept to generate proxy or surrogate models. A detailed geologic and petrographic mineral assemblage and geologic structure of the doubly plunging anticline was defined using the USDOE RMOTC formations of interest data (e.g., Lower Sundance, Crow Mountain, Alcova Limestone, and Red Peak). The assemblage of 23 minerals was primarily developed from literature data and petrophysical (well log) analysis. The assemblage and structure was input into a commercial reactive transport simulator to predict the effects of CO2 injection and complex reactions with the reservoir rock. Significant impediments were encountered during the execution phase of the project. The only known commercial reactive transport simulator was incapable of simulating complex geochemistry modeled in this project. Significant effort and project funding was expended to

  6. Recommended Method To Account For Daughter Ingrowth For The Portsmouth On-Site Waste Disposal Facility Performance Assessment Modeling

    SciTech Connect (OSTI)

    Phifer, Mark A.; Smith, Frank G. III

    2013-06-21

    A 3-D STOMP model has been developed for the Portsmouth On-Site Waste Disposal Facility (OSWDF) at Site D as outlined in Appendix K of FBP 2013. This model projects the flow and transport of the following radionuclides to various points of assessments: Tc-99, U-234, U-235, U-236, U-238, Am-241, Np-237, Pu-238, Pu-239, Pu-240, Th-228, and Th-230. The model includes the radioactive decay of these parents, but does not include the associated daughter ingrowth because the STOMP model does not have the capability to model daughter ingrowth. The Savannah River National Laboratory (SRNL) provides herein a recommended method to account for daughter ingrowth in association with the Portsmouth OSWDF Performance Assessment (PA) modeling.

  7. Further RAGE modeling of asteroid mitigation: surface and subsurface explosions in porous objects

    SciTech Connect (OSTI)

    Weaver, Robert P; Plesko, Catherine S; Dearholt, William R

    2011-01-03

    Disruption or mitigation of a potentially hazardous object (PHO) by a high-energy subsurface burst is considered. This is just one possible method of impact-hazard mitigation. We present RAGE hydrocode models of the shock-generated disruption of PHOs by subsurface nuclear bursts using scenario-specific models from realistic RADAR shape models. We will show 2D and 3D models for the disruption by a large energy source at the center of such PHO models ({approx}100 kt-10 Mt) specifically for the shape of the asteroid 25143 Itokawa. We study the effects of non-uniform composition (rubble pile), shallow buried bursts for the optimal depth of burial and porosity.

  8. Environmental impact of APC residues from municipal solid waste incineration: Reuse assessment based on soil and surface water protection criteria

    SciTech Connect (OSTI)

    Quina, Margarida J.; Bordado, Joao C.M.; Quinta-Ferreira, Rosa M.

    2011-09-15

    Highlights: > The Dutch Building Material Decree (BMD) was used to APC residues from MSWI. > BMD is a straightforward tool to calculate expectable loads to the environment of common pollutants. > Chloride load to the environment lead to classification of building material not allowed. > At least a pre-treatment (e.g. washing) is required in order to remove soluble salts. > The stabilization with phosphates or silicates eliminate the problem of heavy metals. - Abstract: Waste management and environmental protection are mandatory requirements of modern society. In our study, air pollution control (APC) residues from municipal solid waste incinerators (MSWI) were considered as a mixture of fly ash and fine particulate solids collected in scrubbers and fabric filters. These are hazardous wastes and require treatment before landfill. Although there are a number of treatment options, it is highly recommended to find practical applications rather than just dump them in landfill sites. In general, for using a construction material, beyond technical specifications also soil and surface water criteria may be used to ensure environmental protection. The Dutch Building Materials Decree (BMD) is a valuable tool in this respect and it was used to investigate which properties do not meet the threshold criteria so that APC residues can be further used as secondary building material. To this end, some scenarios were evaluated by considering release of inorganic species from unmoulded and moulded applications. The main conclusion is that the high amount of soluble salts makes the APC residues a building material prohibited in any of the conditions tested. In case of moulding materials, the limits of heavy metals are complied, and their use in Category 1 would be allowed. However, also in this case, the soluble salts lead to the classification of 'building material not allowed'. The treatments with phosphates or silicates are able to solve the problem of heavy metals, but

  9. Regional CO2 and latent heat surface fluxes in the Southern Great Plains: Measurements, modeling, and scaling

    SciTech Connect (OSTI)

    Riley, W. J.; Biraud, S.C.; Torn, M.S.; Fischer, M.L.; Billesbach, D.P.; Berry, J.A.

    2009-08-15

    Characterizing net ecosystem exchanges (NEE) of CO{sub 2} and sensible and latent heat fluxes in heterogeneous landscapes is difficult, yet critical given expected changes in climate and land use. We report here a measurement and modeling study designed to improve our understanding of surface to atmosphere gas exchanges under very heterogeneous land cover in the mostly agricultural U.S. Southern Great Plains (SGP). We combined three years of site-level, eddy covariance measurements in several of the dominant land cover types with regional-scale climate data from the distributed Mesonet stations and Next Generation Weather Radar precipitation measurements to calibrate a land surface model of trace gas and energy exchanges (isotope-enabled land surface model (ISOLSM)). Yearly variations in vegetation cover distributions were estimated from Moderate Resolution Imaging Spectroradiometer normalized difference vegetation index and compared to regional and subregional vegetation cover type estimates from the U.S. Department of Agriculture census. We first applied ISOLSM at a 250 m spatial scale to account for vegetation cover type and leaf area variations that occur on hundred meter scales. Because of computational constraints, we developed a subsampling scheme within 10 km 'macrocells' to perform these high-resolution simulations. We estimate that the Atmospheric Radiation Measurement Climate Research Facility SGP region net CO{sub 2} exchange with the local atmosphere was -240, -340, and -270 gC m{sup -2} yr{sup -1} (positive toward the atmosphere) in 2003, 2004, and 2005, respectively, with large seasonal variations. We also performed simulations using two scaling approaches at resolutions of 10, 30, 60, and 90 km. The scaling approach applied in current land surface models led to regional NEE biases of up to 50 and 20% in weekly and annual estimates, respectively. An important factor in causing these biases was the complex leaf area index (LAI) distribution within

  10. MODELING THE ANOMALY OF SURFACE NUMBER DENSITIES OF GALAXIES ON THE GALACTIC EXTINCTION MAP DUE TO THEIR FIR EMISSION CONTAMINATION

    SciTech Connect (OSTI)

    Kashiwagi, Toshiya; Suto, Yasushi; Taruya, Atsushi; Yahata, Kazuhiro; Kayo, Issha; Nishimichi, Takahiro

    2015-02-01

    The most widely used Galactic extinction map is constructed assuming that the observed far-infrared (FIR) fluxes come entirely from Galactic dust. According to the earlier suggestion by Yahata et al., we consider how FIR emission of galaxies affects the SFD map. We first compute the surface number density of Sloan Digital Sky Survey (SDSS) DR7 galaxies as a function of the r-band extinction, A {sub r,} {sub SFD}. We confirm that the surface densities of those galaxies positively correlate with A {sub r,} {sub SFD} for A {sub r,} {sub SFD} < 0.1, as first discovered by Yahata et al. for SDSS DR4 galaxies. Next we construct an analytical model to compute the surface density of galaxies, taking into account the contamination of their FIR emission. We adopt a log-normal probability distribution for the ratio of 100 ?m and r-band luminosities of each galaxy, y ? (?L){sub 100} {sub ?m}/(?L) {sub r}. Then we search for the mean and rms values of y that fit the observed anomaly, using the analytical model. The required values to reproduce the anomaly are roughly consistent with those measured from the stacking analysis of SDSS galaxies. Due to the limitation of our statistical modeling, we are not yet able to remove the FIR contamination of galaxies from the extinction map. Nevertheless, the agreement with the model prediction suggests that the FIR emission of galaxies is mainly responsible for the observed anomaly. Whereas the corresponding systematic error in the Galactic extinction map is 0.1-1mmag, it is directly correlated with galaxy clustering and thus needs to be carefully examined in precision cosmology.