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Sample records for karlsruhe mesoscale model

  1. Mesoscale modeling of fuel restructuring. (Conference) | SciTech...

    Office of Scientific and Technical Information (OSTI)

    Mesoscale modeling of fuel restructuring. Citation Details In-Document Search Title: Mesoscale modeling of fuel restructuring. Abstract not provided. Authors: Dingreville, Remi...

  2. STATISTICAL MECHANICS MODELING OF MESOSCALE DEFORMATION IN METALS...

    Office of Scientific and Technical Information (OSTI)

    STATISTICAL MECHANICS MODELING OF MESOSCALE DEFORMATION IN METALS Anter El-Azab 36 MATERIALS SCIENCE dislocation dynamics; mesoscale deformation of metals; crystal mechanics...

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

    Office of Scientific and Technical Information (OSTI)

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

  4. LDRD final report : mesoscale modeling of dynamic loading of heterogeneous

    Office of Scientific and Technical Information (OSTI)

    materials. (Technical Report) | SciTech Connect LDRD final report : mesoscale modeling of dynamic loading of heterogeneous materials. Citation Details In-Document Search Title: LDRD final report : mesoscale modeling of dynamic loading of heterogeneous materials. Material response to dynamic loading is often dominated by microstructure (grain structure, porosity, inclusions, defects). An example critically important to Sandia's mission is dynamic strength of polycrystalline metals where

  5. Mesoscale Modeling Framework Design: Subcontract Report (Technical Report)

    Office of Scientific and Technical Information (OSTI)

    | SciTech Connect Mesoscale Modeling Framework Design: Subcontract Report Citation Details In-Document Search Title: Mesoscale Modeling Framework Design: Subcontract Report Authors: Chen, L Q ; Tang, M ; Heo, T W ; Wood, B C Publication Date: 2014-01-09 OSTI Identifier: 1116973 Report Number(s): LLNL-SR-648484 DOE Contract Number: W-7405-ENG-48 Resource Type: Technical Report Research Org: Lawrence Livermore National Laboratory (LLNL), Livermore, CA Sponsoring Org: USDOE Country of

  6. Mesoscale Modeling of LX-17 Under Isentropic Compression

    SciTech Connect (OSTI)

    Springer, H K; Willey, T M; Friedman, G; Fried, L E; Vandersall, K S; Baer, M R

    2010-03-06

    Mesoscale simulations of LX-17 incorporating different equilibrium mixture models were used to investigate the unreacted equation-of-state (UEOS) of TATB. Candidate TATB UEOS were calculated using the equilibrium mixture models and benchmarked with mesoscale simulations of isentropic compression experiments (ICE). X-ray computed tomography (XRCT) data provided the basis for initializing the simulations with realistic microstructural details. Three equilibrium mixture models were used in this study. The single constituent with conservation equations (SCCE) model was based on a mass-fraction weighted specific volume and the conservation of mass, momentum, and energy. The single constituent equation-of-state (SCEOS) model was based on a mass-fraction weighted specific volume and the equation-of-state of the constituents. The kinetic energy averaging (KEA) model was based on a mass-fraction weighted particle velocity mixture rule and the conservation equations. The SCEOS model yielded the stiffest TATB EOS (0.121{micro} + 0.4958{micro}{sup 2} + 2.0473{micro}{sup 3}) and, when incorporated in mesoscale simulations of the ICE, demonstrated the best agreement with VISAR velocity data for both specimen thicknesses. The SCCE model yielded a relatively more compliant EOS (0.1999{micro}-0.6967{micro}{sup 2} + 4.9546{micro}{sup 3}) and the KEA model yielded the most compliant EOS (0.1999{micro}-0.6967{micro}{sup 2}+4.9546{micro}{sup 3}) of all the equilibrium mixture models. Mesoscale simulations with the lower density TATB adiabatic EOS data demonstrated the least agreement with VISAR velocity data.

  7. Evaluation of Mesoscale Atmospheric Model for Contrail Cirrus Simulations |

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

    Argonne Leadership Computing Facility of contrail-to-cirrus transition (INCITE 2012). Snapshot of potential temperature fluctuation in a turbulent atmosphere. The horizontal layers are due to atmospheric stratification. Flight altitude corresponds to Z=3000 m, the contrail extends vertically from Z=3000 to Z=25000 m. Evaluation of Mesoscale Atmospheric Model for Contrail Cirrus Simulations PI Name: Roberto Paoli PI Email: paoli@cerfacs.fr Institution: CERFACS Allocation Program: INCITE

  8. Mesoscale modeling of metal-loaded high explosives

    SciTech Connect (OSTI)

    Bdzil, John Bohdan [Los Alamos National Laboratory; Lieberthal, Brandon [UNIV OF ILLINOIS; Srewart, Donald S [UNIV OF ILLINOIS

    2010-01-01

    We describe a 3D approach to modeling multi-phase blast explosive, which is primarily condensed explosive by volume with inert embedded particles. These embedded particles are uniform in size and placed on the array of a regular lattice. The asymptotic theory of detonation shock dynamics governs the detonation shock propagation in the explosive. Mesoscale hydrodynamic simulations are used to show how the particles are compressed, deformed, and accelerated by the high-speed detonation products flow.

  9. Meso-scale modeling of irradiated concrete in test reactor

    SciTech Connect (OSTI)

    Giorla, Alain B.; Vaitová, M.; Le Pape, Yann; Štemberk, P.

    2015-10-18

    In this paper, we detail a numerical model accounting for the effects of neutron irradiation on concrete at the mesoscale. Irradiation experiments in test reactor (Elleuch et al.,1972), i.e., in accelerated conditions, are simulated. Concrete is considered as a two-phase material made of elastic inclusions (aggregate) subjected to thermal and irradiation-induced swelling and embedded in a cementitious matrix subjected to shrinkage and thermal expansion. The role of the hardened cement paste in the post-peak regime (brittle-ductile transition with decreasing loading rate), and creep effects are investigated. Radiation-induced volumetric expansion (RIVE) of the aggregate cause the development and propagation of damage around the aggregate which further develops in bridging cracks across the hardened cement paste between the individual aggregate particles. The development of damage is aggravated when shrinkage occurs simultaneously with RIVE during the irradiation experiment. The post-irradiation expansion derived from the simulation is well correlated with the experimental data and, the obtained damage levels are fully consistent with previous estimations based on a micromechanical interpretation of the experimental post-irradiation elastic properties (Le Pape et al.,2015). In conclusion, the proposed modeling opens new perspectives for the interpretation of test reactor experiments in regards to the actual operation of light water reactors.

  10. Meso-scale modeling of irradiated concrete in test reactor

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

    Giorla, Alain B.; Vaitová, M.; Le Pape, Yann; Štemberk, P.

    2015-10-18

    In this paper, we detail a numerical model accounting for the effects of neutron irradiation on concrete at the mesoscale. Irradiation experiments in test reactor (Elleuch et al.,1972), i.e., in accelerated conditions, are simulated. Concrete is considered as a two-phase material made of elastic inclusions (aggregate) subjected to thermal and irradiation-induced swelling and embedded in a cementitious matrix subjected to shrinkage and thermal expansion. The role of the hardened cement paste in the post-peak regime (brittle-ductile transition with decreasing loading rate), and creep effects are investigated. Radiation-induced volumetric expansion (RIVE) of the aggregate cause the development and propagation of damagemore » around the aggregate which further develops in bridging cracks across the hardened cement paste between the individual aggregate particles. The development of damage is aggravated when shrinkage occurs simultaneously with RIVE during the irradiation experiment. The post-irradiation expansion derived from the simulation is well correlated with the experimental data and, the obtained damage levels are fully consistent with previous estimations based on a micromechanical interpretation of the experimental post-irradiation elastic properties (Le Pape et al.,2015). In conclusion, the proposed modeling opens new perspectives for the interpretation of test reactor experiments in regards to the actual operation of light water reactors.« less

  11. Karlsruhe Institute for Industrial Production | Open Energy Informatio...

    Open Energy Info (EERE)

    Karlsruhe Institute for Industrial Production Jump to: navigation, search Name: Karlsruhe Institute for Industrial Production Place: Karlsruhe, Germany Zip: 76187 Product: String...

  12. A shallow convection parameterization for the non-hydrostatic MM5 mesoscale model

    SciTech Connect (OSTI)

    Seaman, N.L.; Kain, J.S.; Deng, A.

    1996-04-01

    A shallow convection parameterization suitable for the Pennsylvannia State University (PSU)/National Center for Atmospheric Research nonhydrostatic mesoscale model (MM5) is being developed at PSU. The parameterization is based on parcel perturbation theory developed in conjunction with a 1-D Mellor Yamada 1.5-order planetary boundary layer scheme and the Kain-Fritsch deep convection model.

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

    SciTech Connect (OSTI)

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

    2014-06-01

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

  14. MESO-SCALE MODELING OF THE INFLUENCE OF INTERGRANULAR GAS BUBBLES ON EFFECTIVE THERMAL CONDUCTIVITY

    SciTech Connect (OSTI)

    Paul C. Millett; Michael Tonks

    2011-06-01

    Using a mesoscale modeling approach, we have investigated how intergranular fission gas bubbles, as observed in high-burnup nuclear fuel, modify the effective thermal conductivity in a polycrystalline material. The calculations reveal that intergranular porosity has a significantly higher resistance to heat transfer compared to randomly-distributed porosity. A model is developed to describe this conductivity reduction that considers an effective grain boundary Kapitza resistance as a function of the fractional coverage of grain boundaries by bubbles.

  15. THE APPLICATION OF AN EVOLUTIONARY ALGORITHM TO THE OPTIMIZATION OF A MESOSCALE METEOROLOGICAL MODEL

    SciTech Connect (OSTI)

    Werth, D.; O'Steen, L.

    2008-02-11

    We show that a simple evolutionary algorithm can optimize a set of mesoscale atmospheric model parameters with respect to agreement between the mesoscale simulation and a limited set of synthetic observations. This is illustrated using the Regional Atmospheric Modeling System (RAMS). A set of 23 RAMS parameters is optimized by minimizing a cost function based on the root mean square (rms) error between the RAMS simulation and synthetic data (observations derived from a separate RAMS simulation). We find that the optimization can be efficient with relatively modest computer resources, thus operational implementation is possible. The optimization efficiency, however, is found to depend strongly on the procedure used to perturb the 'child' parameters relative to their 'parents' within the evolutionary algorithm. In addition, the meteorological variables included in the rms error and their weighting are found to be an important factor with respect to finding the global optimum.

  16. Dynamic mesoscale model of dipolar fluids via fluctuating hydrodynamics

    SciTech Connect (OSTI)

    Persson, Rasmus A. X.; Chu, Jhih-Wei, E-mail: jwchu@nctu.edu.tw [Institute of Bioinformatics and Systems Biology, National Chiao Tung University, Hsinchu 30068, Taiwan (China); Department of Biological Science and Technology, National Chiao Tung University, Hsinchu 30068, Taiwan (China); Voulgarakis, Nikolaos K. [Department of Mathematics, Washington State University, Richland, Washington 99372 (United States)

    2014-11-07

    Fluctuating hydrodynamics (FHD) is a general framework of mesoscopic modeling and simulation based on conservational laws and constitutive equations of linear and nonlinear responses. However, explicit representation of electrical forces in FHD has yet to appear. In this work, we devised an Ansatz for the dynamics of dipole moment densities that is linked with the Poisson equation of the electrical potential ? in coupling to the other equations of FHD. The resulting ?-FHD equations then serve as a platform for integrating the essential forces, including electrostatics in addition to hydrodynamics, pressure-volume equation of state, surface tension, and solvent-particle interactions that govern the emergent behaviors of molecular systems at an intermediate scale. This unique merit of ?-FHD is illustrated by showing that the water dielectric function and ion hydration free energies in homogeneous and heterogenous systems can be captured accurately via the mesoscopic simulation. Furthermore, we show that the field variables of ?-FHD can be mapped from the trajectory of an all-atom molecular dynamics simulation such that model development and parametrization can be based on the information obtained at a finer-grained scale. With the aforementioned multiscale capabilities and a spatial resolution as high as 5 , the ?-FHD equations represent a useful semi-explicit solvent model for the modeling and simulation of complex systems, such as biomolecular machines and nanofluidics.

  17. Mesoscale to plant-scale models of nuclear waste reprocessing.

    SciTech Connect (OSTI)

    Noble, David Frederick; O'Hern, Timothy John; Moffat, Harry K.; Nemer, Martin B.; Domino, Stefan Paul; Rao, Rekha Ranjana; Cipiti, Benjamin B.; Brotherton, Christopher M.; Jove-Colon, Carlos F.; Pawlowski, Roger Patrick

    2010-09-01

    Imported oil exacerabates our trade deficit and funds anti-American regimes. Nuclear Energy (NE) is a demonstrated technology with high efficiency. NE's two biggest political detriments are possible accidents and nuclear waste disposal. For NE policy, proliferation is the biggest obstacle. Nuclear waste can be reduced through reprocessing, where fuel rods are separated into various streams, some of which can be reused in reactors. Current process developed in the 1950s is dirty and expensive, U/Pu separation is the most critical. Fuel rods are sheared and dissolved in acid to extract fissile material in a centrifugal contactor. Plants have many contacts in series with other separations. We have taken a science and simulation-based approach to develop a modern reprocessing plant. Models of reprocessing plants are needed to support nuclear materials accountancy, nonproliferation, plant design, and plant scale-up.

  18. Evaluation of the Mesoscale Eta Model over the western United States. Master`s thesis

    SciTech Connect (OSTI)

    Swanson, R.T.

    1995-09-10

    The skill of the Mesoscale Eta Model is evaluated over a 6-month period from October 1, 1994 to March 31, 1995 over the western United States. This model will continue to undergo changes until and after its projected operational release in July 1995. Many diagnostics and error statistics are created to evaluate its performance as forecasts are received and archived at the University of Utah. These statistics are available on the Internet allowing researchers and operational forecasters access to them in near real-time. The Mesoscale Eta Model forecast initialized at 1200 UTC, 9 November 1994 is used as a case study to introduce many of the diagnostics developed to evaluate the model. A systematic evaluation of the average and root-mean-squared error over months and seasons reveals little significant bias in upper tropospheric fields such as 300 mb wind or 500 mb geopotential height. Moderate average errors are evident in lower tropospheric temperature. Accumulated precipitation over months and seasons indicates the model`s spinup of precipitation during the first 12 hours of the forecast cycle.

  19. A creep-damage model for mesoscale simulations of concrete expansion-degradation phenomena

    SciTech Connect (OSTI)

    Giorla, Alain B; Le Pape, Yann

    2015-01-01

    Long-term performance of aging concrete in nuclear power plants (NPPs) requires a careful examination of the physical phenomena taking place in the material. Concrete under high neutron irradiation is subjected to large irreversible deformations as well as mechanical damage, caused by a swelling of the aggregates. However, these results, generally obtained in accelerated conditions in test reactors, cannot be directly applied to NPP irradiated structures, i.e., the biological shield, operating conditions due to difference in time scale and environmental conditions (temperature, humidity). Mesoscale numerical simulations are performed to separate the underlying mechanisms and their interactions. The cement paste creep-damage model accounts for the effect of the loading rate on the apparent damage properties of the material and uses an event-based approach to capture the competition between creep and damage. The model is applied to the simulation of irradiation experiments from the literature and shows a good agreement with the experimental data.

  20. LDRD final report : mesoscale modeling of dynamic loading of heterogeneous materials.

    SciTech Connect (OSTI)

    Robbins, Joshua; Dingreville, Remi Philippe Michel; Voth, Thomas Eugene; Furnish, Michael David

    2013-12-01

    Material response to dynamic loading is often dominated by microstructure (grain structure, porosity, inclusions, defects). An example critically important to Sandia's mission is dynamic strength of polycrystalline metals where heterogeneities lead to localization of deformation and loss of shear strength. Microstructural effects are of broad importance to the scientific community and several institutions within DoD and DOE; however, current models rely on inaccurate assumptions about mechanisms at the sub-continuum or mesoscale. Consequently, there is a critical need for accurate and robust methods for modeling heterogeneous material response at this lower length scale. This report summarizes work performed as part of an LDRD effort (FY11 to FY13; project number 151364) to meet these needs.

  1. An atomistically informed mesoscale model for growth and coarsening during discharge in lithium-oxygen batteries

    SciTech Connect (OSTI)

    Welland, Michael J.; Lau, Kah Chun; Redfern, Paul C.; Wolf, Dieter; Curtiss, Larry A.; Liang, Linyun; Zhai, Denyun

    2015-12-14

    An atomistically informed mesoscale model is developed for the deposition of a discharge product in a Li-O{sub 2} battery. This mescocale model includes particle growth and coarsening as well as a simplified nucleation model. The model involves LiO{sub 2} formation through reaction of O{sub 2}{sup −} and Li{sup +} in the electrolyte, which deposits on the cathode surface when the LiO{sub 2} concentration reaches supersaturation in the electrolyte. A reaction-diffusion (rate-equation) model is used to describe the processes occurring in the electrolyte and a phase-field model is used to capture microstructural evolution. This model predicts that coarsening, in which large particles grow and small ones disappear, has a substantial effect on the size distribution of the LiO{sub 2} particles during the discharge process. The size evolution during discharge is the result of the interplay between this coarsening process and particle growth. The growth through continued deposition of LiO{sub 2} has the effect of causing large particles to grow ever faster while delaying the dissolution of small particles. The predicted size evolution is consistent with experimental results for a previously reported cathode material based on activated carbon during discharge and when it is at rest, although kinetic factors need to be included. The approach described in this paper synergistically combines models on different length scales with experimental observations and should have applications in studying other related discharge processes, such as Li{sub 2}O{sub 2} deposition, in Li-O{sub 2} batteries and nucleation and growth in Li-S batteries.

  2. Evaluation of Test Methods for Triaxially Braided Composites using a Meso-Scale Finite Element Model

    SciTech Connect (OSTI)

    Zhang, Chao

    2015-10-01

    The characterization of triaxially braided composite is complicate due to the nonuniformity of deformation within the unit cell as well as the possibility of the freeedge effect related to the large size of the unit cell. Extensive experimental investigation has been conducted to develop more accurate test approaches in characterizing the actual mechanical properties of the material we are studying. In this work, a meso-scale finite element model is utilized to simulate two complex specimens: notched tensile specimen and tube tensile specimen, which are designed to avoid the free-edge effect and free-edge effect induced premature edge damage. The full field strain data is predicted numerically and compared with experimental data obtained by Digit Image Correlation. The numerically predicted tensile strength values are compared with experimentally measured results. The discrepancy between numerically predicted and experimentally measured data, the capability of different test approaches are analyzed and discussed. The presented numerical model could serve as assistance to the evaluation of different test methods, and is especially useful in identifying potential local damage events.

  3. Technologiefabrik Karlsruhe GmbH | Open Energy Information

    Open Energy Info (EERE)

    Name: Technologiefabrik Karlsruhe GmbH Place: Germany Sector: Services Product: General Financial & Legal Services ( Government Public sector ) References: Technologiefabrik...

  4. Evaluation of cloud prediction and determination of critical relative humidity for a mesoscale numerical weather prediction model

    SciTech Connect (OSTI)

    Seaman, N.L.; Guo, Z.; Ackerman, T.P.

    1996-04-01

    Predictions of cloud occurrence and vertical location from the Pennsylvannia State University/National Center for Atmospheric Research nonhydrostatic mesoscale model (MM5) were evaluated statistically using cloud observations obtained at Coffeyville, Kansas, as part of the Second International satellite Cloud Climatology Project Regional Experiment campaign. Seventeen cases were selected for simulation during a November-December 1991 field study. MM5 was used to produce two sets of 36-km simulations, one with and one without four-dimensional data assimilation (FDDA), and a set of 12-km simulations without FDDA, but nested within the 36-km FDDA runs.

  5. Using Mesoscale Weather Model Output as Boundary Conditions for Atmospheric Large-Eddy Simulations and Wind-Plant Aerodynamic Simulations (Presentation)

    SciTech Connect (OSTI)

    Churchfield, M. J.; Michalakes, J.; Vanderwende, B.; Lee, S.; Sprague, M. A.; Lundquist, J. K.; Moriarty, P. J.

    2013-10-01

    Wind plant aerodynamics are directly affected by the microscale weather, which is directly influenced by the mesoscale weather. Microscale weather refers to processes that occur within the atmospheric boundary layer with the largest scales being a few hundred meters to a few kilometers depending on the atmospheric stability of the boundary layer. Mesoscale weather refers to large weather patterns, such as weather fronts, with the largest scales being hundreds of kilometers wide. Sometimes microscale simulations that capture mesoscale-driven variations (changes in wind speed and direction over time or across the spatial extent of a wind plant) are important in wind plant analysis. In this paper, we present our preliminary work in coupling a mesoscale weather model with a microscale atmospheric large-eddy simulation model. The coupling is one-way beginning with the weather model and ending with a computational fluid dynamics solver using the weather model in coarse large-eddy simulation mode as an intermediary. We simulate one hour of daytime moderately convective microscale development driven by the mesoscale data, which are applied as initial and boundary conditions to the microscale domain, at a site in Iowa. We analyze the time and distance necessary for the smallest resolvable microscales to develop.

  6. Raman spectroscopy at the tritium laboratory Karlsruhe

    SciTech Connect (OSTI)

    Schloesser, M.; Bornschein, B.; Fischer, S.; Kassel, F.; Rupp, S.; Sturm, M.; James, T.M.; Telle, H.H.

    2015-03-15

    Raman spectroscopy is employed successfully for analysis of hydrogen isotopologues at the Tritium Laboratory Karlsruhe (TLK). Raman spectroscopy is based on the inelastic scattering of photons off molecules. Energy is transferred to the molecules as rotational/vibrational excitation being characteristic for each type of molecule. Thus, qualitative analysis is possible from the Raman shifted light, while quantitative information can be obtained from the signal intensities. After years of research and development, the technique is now well-advanced providing fast (< 10 s), precise (< 0.1%) and true (< 3%) compositional analysis of gas mixtures of hydrogen isotopologues. In this paper, we summarize the recent achievements in the further development on this technique, and the various applications for which it is used at TLK. Raman spectroscopy has evolved as a versatile, highly accurate key method for quantitative analysis complementing the port-folio of analytic techniques at the TLK.

  7. Top-down estimate of methane emissions in California using a mesoscale inverse modeling technique: The South Coast Air Basin

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

    Cui, Yu Yan; Brioude, Jerome; McKeen, Stuart A.; Angevine, Wayne M.; Kim, Si -Wan; Frost, Gregory J.; Ahmadov, Ravan; Peischl, Jeff; Bousserez, Nicolas; Liu, Zhen; et al

    2015-07-28

    Methane (CH4) is the primary component of natural gas and has a larger global warming potential than CO2. Some recent top-down studies based on observations showed CH4 emissions in California's South Coast Air Basin (SoCAB) were greater than those expected from population-apportioned bottom-up state inventories. In this study, we quantify CH4 emissions with an advanced mesoscale inverse modeling system at a resolution of 8 km × 8 km, using aircraft measurements in the SoCAB during the 2010 Nexus of Air Quality and Climate Change campaign to constrain the inversion. To simulate atmospheric transport, we use the FLEXible PARTicle-Weather Research andmore » Forecasting (FLEXPART-WRF) Lagrangian particle dispersion model driven by three configurations of the Weather Research and Forecasting (WRF) mesoscale model. We determine surface fluxes of CH4 using a Bayesian least squares method in a four-dimensional inversion. Simulated CH4 concentrations with the posterior emission inventory achieve much better correlations with the measurements (R2 = 0.7) than using the prior inventory (U.S. Environmental Protection Agency's National Emission Inventory 2005, R2 = 0.5). The emission estimates for CH4 in the posterior, 46.3 ± 9.2 Mg CH4/h, are consistent with published observation-based estimates. Changes in the spatial distribution of CH4 emissions in the SoCAB between the prior and posterior inventories are discussed. Missing or underestimated emissions from dairies, the oil/gas system, and landfills in the SoCAB seem to explain the differences between the prior and posterior inventories. Furthermore, we estimate that dairies contributed 5.9 ± 1.7 Mg CH4/h and the two sectors of oil and gas industries (production and downstream) and landfills together contributed 39.6 ± 8.1 Mg CH4/h in the SoCAB.« less

  8. Data assimilation of a ten-day period during June 1993 over the Southern Great Plains Site using a nested mesoscale model

    SciTech Connect (OSTI)

    Dudhia, J.; Guo, Y.R.

    1996-04-01

    A goal of the Atmospheric Radiation Measurement (ARM) Program has been to obtain a complete representation of physical processes on the scale of a general circulation model (GCM) grid box in order to better parameterize radiative processes in these models. Since an observational network of practical size cannot be used alone to characterize the Cloud and Radiation Testbed (CART) site`s 3D structure and time development, data assimilation using the enhanced observations together with a mesoscale model is used to give a full 4D analysis at high resolution. The National Center for Atmospheric Research (NCAR)/Penn State Mesoscale Model (MM5) has been applied over a ten-day continuous period in a triple-nested mode with grid sizes of 60, 20 and 6.67 in. The outer domain covers the United States` 48 contiguous states; the innermost is a 480-km square centered on Lamont, Oklahoma. A simulation has been run with data assimilation using the Mesoscale Analysis and Prediction System (MAPS) 60-km analyses from the Forecast Systems Laboratory (FSL) of the National Ocean and Atmospheric Administration (NOAA). The nested domains take boundary conditions from and feed back continually to their parent meshes (i.e., they are two-way interactive). As reported last year, this provided a simulation of the basic features of mesoscale events over the CART site during the period 16-26 June 1993 when an Intensive Observation Period (IOP) was under way.

  9. Top-down estimate of methane emissions in California using a mesoscale inverse modeling technique: The South Coast Air Basin

    SciTech Connect (OSTI)

    Cui, Yu Yan; Brioude, Jerome; McKeen, Stuart A.; Angevine, Wayne M.; Kim, Si -Wan; Frost, Gregory J.; Ahmadov, Ravan; Peischl, Jeff; Bousserez, Nicolas; Liu, Zhen; Ryerson, Thomas B.; Wofsy, Steve C.; Santoni, Gregory W.; Kort, Eric A.; Fischer, Marc L.; Trainer, Michael

    2015-07-28

    Methane (CH4) is the primary component of natural gas and has a larger global warming potential than CO2. Some recent top-down studies based on observations showed CH4 emissions in California's South Coast Air Basin (SoCAB) were greater than those expected from population-apportioned bottom-up state inventories. In this study, we quantify CH4 emissions with an advanced mesoscale inverse modeling system at a resolution of 8 km × 8 km, using aircraft measurements in the SoCAB during the 2010 Nexus of Air Quality and Climate Change campaign to constrain the inversion. To simulate atmospheric transport, we use the FLEXible PARTicle-Weather Research and Forecasting (FLEXPART-WRF) Lagrangian particle dispersion model driven by three configurations of the Weather Research and Forecasting (WRF) mesoscale model. We determine surface fluxes of CH4 using a Bayesian least squares method in a four-dimensional inversion. Simulated CH4 concentrations with the posterior emission inventory achieve much better correlations with the measurements (R2 = 0.7) than using the prior inventory (U.S. Environmental Protection Agency's National Emission Inventory 2005, R2 = 0.5). The emission estimates for CH4 in the posterior, 46.3 ± 9.2 Mg CH4/h, are consistent with published observation-based estimates. Changes in the spatial distribution of CH4 emissions in the SoCAB between the prior and posterior inventories are discussed. Missing or underestimated emissions from dairies, the oil/gas system, and landfills in the SoCAB seem to explain the differences between the prior and posterior inventories. Furthermore, we estimate that dairies contributed 5.9 ± 1.7 Mg CH4/h and the two sectors of oil and gas industries (production and downstream) and landfills together contributed 39.6 ± 8.1 Mg CH4/h in the SoCAB.

  10. Top-down estimate of methane emissions in California using a mesoscale inverse modeling technique: The South Coast Air Basin

    SciTech Connect (OSTI)

    Cui, Yu Yan; Brioude, Jerome; McKeen, Stuart A.; Angevine, Wayne M.; Kim, Si -Wan; Frost, Gregory J.; Ahmadov, Ravan; Peischl, Jeff; Bousserez, Nicolas; Liu, Zhen; Ryerson, Thomas B.; Wofsy, Steve C.; Santoni, Gregory W.; Kort, Eric A.; Fischer, Marc L.; Trainer, Michael

    2015-07-28

    Methane (CH4) is the primary component of natural gas and has a larger global warming potential than CO2. Some recent top-down studies based on observations showed CH4 emissions in California's South Coast Air Basin (SoCAB) were greater than those expected from population-apportioned bottom-up state inventories. In this study, we quantify CH4 emissions with an advanced mesoscale inverse modeling system at a resolution of 8 km 8 km, using aircraft measurements in the SoCAB during the 2010 Nexus of Air Quality and Climate Change campaign to constrain the inversion. To simulate atmospheric transport, we use the FLEXible PARTicle-Weather Research and Forecasting (FLEXPART-WRF) Lagrangian particle dispersion model driven by three configurations of the Weather Research and Forecasting (WRF) mesoscale model. We determine surface fluxes of CH4 using a Bayesian least squares method in a four-dimensional inversion. Simulated CH4 concentrations with the posterior emission inventory achieve much better correlations with the measurements (R2 = 0.7) than using the prior inventory (U.S. Environmental Protection Agency's National Emission Inventory 2005, R2 = 0.5). The emission estimates for CH4 in the posterior, 46.3 9.2 Mg CH4/h, are consistent with published observation-based estimates. Changes in the spatial distribution of CH4 emissions in the SoCAB between the prior and posterior inventories are discussed. Missing or underestimated emissions from dairies, the oil/gas system, and landfills in the SoCAB seem to explain the differences between the prior and posterior inventories. Furthermore, we estimate that dairies contributed 5.9 1.7 Mg CH4/h and the two sectors of oil and gas industries (production and downstream) and landfills together contributed 39.6 8.1 Mg CH4/h in the SoCAB.

  11. SciTech Connect: mesoscale

    Office of Scientific and Technical Information (OSTI)

    mesoscale Find + Advanced Search Term Search Semantic Search Advanced Search All Fields: mesoscale Semantic Semantic Term Title: Full Text: Bibliographic Data: Creator Author:...

  12. Mesoscale Simulations of Coarsening in GB Networks

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

    Mukul Kumar is the Principal Investigator for Mesoscale Simulations of Coarsening in GB Networks LLNL BES Programs Highlight Mesoscale Simulations of Coarsening in GB Networks The Phase Field Model evolves a grain boundary network with realistic network correlations, as seeded by a group-theory-based Monte Carlo model M. Tang, B. W. Reed, and M. Kumar, J. Appl. Phys. 112, 043505 (2012) V. Bulatov, B. W. Reed, and M. Kumar; "Grain boundary energy function for FCC metals," Physical

  13. Modeling Hot-Spot Contributions in Shocked High Explosives at the Mesoscale

    SciTech Connect (OSTI)

    Harrier, Danielle

    2015-08-12

    When looking at performance of high explosives, the defects within the explosive become very important. Plastic bonded explosives, or PBXs, contain voids of air and bonder between the particles of explosive material that aid in the ignition of the explosive. These voids collapse in high pressure shock conditions, which leads to the formation of hot spots. Hot spots are localized high temperature and high pressure regions that cause significant changes in the way the explosive material detonates. Previously hot spots have been overlooked with modeling, but now scientists are realizing their importance and new modeling systems that can accurately model hot spots are underway.

  14. Mesoscale Phase-Field Modeling of Charge Transport in Nanocomposite Electrodes for Lithium-ion Batteries

    SciTech Connect (OSTI)

    Hu, Shenyang Y.; Li, Yulan; Rosso, Kevin M.; Sushko, Maria L.

    2013-01-10

    A phase-field model is developed to investigate the influence of microstructure, thermodynamic and kinetic properties, and charging conditions on charged particle transport in nanocomposite electrodes. Two sets of field variables are used to describe the microstructure. One is comprised of the order parameters describing size, orientation and spatial distributions of nanoparticles, and the other is comprised of the concentrations of mobile species. A porous nanoparticle microstructure filled with electrolyte is taken as a model system to test the phase-field model. Inhomogeneous and anisotropic dielectric constants and mobilities of charged particles, and stresses associated with lattice deformation due to Li-ion insertion/extraction are considered in the model. Iteration methods are used to find the elastic and electric fields in an elastically and electrically inhomogeneous medium. The results demonstrate that the model is capable of predicting charge separation associated with the formation of a double layer at the electrochemical interface between solid and electrolyte, and the effect of microstructure, inhomogeneous and anisotropic thermodynamic and kinetic properties, charge rates, and stresses on voltage versus current density and capacity during charging and discharging.

  15. THE SIMULATION OF FINE SCALE NOCTURNAL BOUNDARY LAYER MOTIONS WITH A MESO-SCALE ATMOSPHERIC MODEL

    SciTech Connect (OSTI)

    Werth, D.; Kurzeja, R.; Parker, M.

    2009-04-02

    A field project over the Atmospheric Radiation Measurement-Clouds and Radiation Testbed (ARM-CART) site during a period of several nights in September, 2007 was conducted to explore the evolution of the low-level jet (LLJ). Data was collected from a tower and a sodar and analyzed for turbulent behavior. To study the full range of nocturnal boundary layer (NBL) behavior, the Regional Atmospheric Modeling System (RAMS) was used to simulate the ARM-CART NBL field experiment and validated against the data collected from the site. This model was run at high resolution, and is ideal for calculating the interactions among the various motions within the boundary layer and their influence on the surface. The model reproduces adequately the synoptic situation and the formation and dissolution cycles of the low-level jet, although it suffers from insufficient cloud production and excessive nocturnal cooling. The authors suggest that observed heat flux data may further improve the realism of the simulations both in the cloud formation and in the jet characteristics. In a higher resolution simulation, the NBL experiences motion on a range of timescales as revealed by a wavelet analysis, and these are affected by the presence of the LLJ. The model can therefore be used to provide information on activity throughout the depth of the NBL.

  16. Lipid-Based Nanodiscs as Models for Studying Mesoscale Coalescence A Transport Limited Case

    SciTech Connect (OSTI)

    Hu, Andrew; Fan, Tai-Hsi; Katsaras, John; Xia, Yan; Li, Ming; Nieh, Mu-Ping

    2014-01-01

    Lipid-based nanodiscs (bicelles) are able to form in mixtures of long- and short-chain lipids. Initially, they are of uniform size but grow upon dilution. Previously, nanodisc growth kinetics have been studied using time-resolved small angle neutron scattering (SANS), a technique which is not well suited for probing their change in size immediately after dilution. To address this, we have used dynamic light scattering (DLS), a technique which permits the collection of useful data in a short span of time after dilution of the system. The DLS data indicate that the negatively charged lipids in nanodiscs play a significant role in disc stability and growth. Specifically, the charged lipids are most likely drawn out from the nanodiscs into solution, thereby reducing interparticle repulsion and enabling the discs to grow. We describe a population balance model, which takes into account Coulombic interactions and adequately predicts the initial growth of nanodiscs with a single parameter i.e., surface potential. The results presented here strongly support the notion that the disc coalescence rate strongly depends on nanoparticle charge density. The present system containing low-polydispersity lipid nanodiscs serves as a good model for understanding how charged discoidal micelles coalesce.

  17. Implementation and assessment of turbine wake models in the Weather Research and Forecasting model for both mesoscale and large-eddy simulation

    SciTech Connect (OSTI)

    Singer, M; Mirocha, J; Lundquist, J; Cleve, J

    2010-03-03

    Flow dynamics in large wind projects are influenced by the turbines located within. The turbine wakes, regions characterized by lower wind speeds and higher levels of turbulence than the surrounding free stream flow, can extend several rotor diameters downstream, and may meander and widen with increasing distance from the turbine. Turbine wakes can also reduce the power generated by downstream turbines and accelerate fatigue and damage to turbine components. An improved understanding of wake formation and transport within wind parks is essential for maximizing power output and increasing turbine lifespan. Moreover, the influence of wakes from large wind projects on neighboring wind farms, agricultural activities, and local climate are all areas of concern that can likewise be addressed by wake modeling. This work describes the formulation and application of an actuator disk model for studying flow dynamics of both individual turbines and arrays of turbines within wind projects. The actuator disk model is implemented in the Weather Research and Forecasting (WRF) model, which is an open-source atmospheric simulation code applicable to a wide range of scales, from mesoscale to large-eddy simulation. Preliminary results demonstrate the applicability of the actuator disk model within WRF to a moderately high-resolution large-eddy simulation study of a small array of turbines.

  18. Optically Directed Assembly of Continuous Mesoscale Filaments...

    Office of Scientific and Technical Information (OSTI)

    Publisher's Accepted Manuscript: Optically Directed Assembly of Continuous Mesoscale Filaments Title: Optically Directed Assembly of Continuous Mesoscale Filaments Authors: Bahns, ...

  19. Use of ARM observations and numerical models to determine radiative and latent heating profiles of mesoscale convective systems for general circulation models

    SciTech Connect (OSTI)

    Houze, Jr., Robert A.

    2013-11-13

    We examined cloud radar data in monsoon climates, using cloud radars at Darwin in the Australian monsoon, on a ship in the Bay of Bengal in the South Asian monsoon, and at Niamey in the West African monsoon. We followed on with a more in-depth study of the continental MCSs over West Africa. We investigated whether the West African anvil clouds connected with squall line MCSs passing over the Niamey ARM site could be simulated in a numerical model by comparing the observed anvil clouds to anvil structures generated by the Weather Research and Forecasting (WRF) mesoscale model at high resolution using six different ice-phase microphysical schemes. We carried out further simulations with a cloud-resolving model forced by sounding network budgets over the Niamey region and over the northern Australian region. We have devoted some of the effort of this project to examining how well satellite data can determine the global breadth of the anvil cloud measurements obtained at the ARM ground sites. We next considered whether satellite data could be objectively analyzed to so that their large global measurement sets can be systematically related to the ARM measurements. Further differences were detailed between the land and ocean MCS anvil clouds by examining the interior structure of the anvils with the satellite-detected the CloudSat Cloud Profiling Radar (CPR). The satellite survey of anvil clouds in the Indo-Pacific region was continued to determine the role of MCSs in producing the cloud pattern associated with the MJO.

  20. Mesoscale hybrid calibration artifact

    DOE Patents [OSTI]

    Tran, Hy D.; Claudet, Andre A.; Oliver, Andrew D.

    2010-09-07

    A mesoscale calibration artifact, also called a hybrid artifact, suitable for hybrid dimensional measurement and the method for make the artifact. The hybrid artifact has structural characteristics that make it suitable for dimensional measurement in both vision-based systems and touch-probe-based systems. The hybrid artifact employs the intersection of bulk-micromachined planes to fabricate edges that are sharp to the nanometer level and intersecting planes with crystal-lattice-defined angles.

  1. MESOSCALE SIMULATIONS OF POWDER COMPACTION

    SciTech Connect (OSTI)

    Lomov, Ilya; Fujino, Don; Antoun, Tarabay; Liu, Benjamin

    2009-12-28

    Mesoscale 3D simulations of shock compaction of metal and ceramic powders have been performed with an Eulerian hydrocode GEODYN. The approach was validated by simulating a well-characterized shock compaction experiment of a porous ductile metal. Simulation results using the Steinberg material model and handbook values for solid 2024 aluminum showed good agreement with experimental compaction curves and wave profiles. Brittle ceramic materials are not as well studied as metals, so a simple material model for solid ceramic (tungsten carbide) has been calibrated to match experimental compaction curves. Direct simulations of gas gun experiments with ceramic powders have been performed and showed good agreement with experimental data. The numerical shock wave profile has same character and thickness as that measured experimentally using VISAR. The numerical results show reshock states above the single-shock Hugoniot line as observed in experiments. We found that for good quantitative agreement with experiments 3D simulations are essential.

  2. An Evaluation of Mesoscale Model Predictions of Down-Valley and Canyon Flows and Their Consequences Using Doppler Lidar Measurements During VTMX 2000

    SciTech Connect (OSTI)

    Fast, Jerome D.; Darby, Lisa S.

    2004-04-01

    A mesoscale model, a Lagrangian particle dispersion model, and extensive Doppler lidar wind measurements during the VTMX 2000 field campaign were used to examine converging flows over the Salt Lake Valley and their effect on vertical mixing of tracers at night and during the morning transition period. The simulated wind components were transformed into radial velocities to make a direct comparison with about 1.3 million Doppler lidar data points and critically evaluate, using correlation coefficients, the spatial variations in the simulated wind fields aloft. The mesoscale model captured reasonably well the general features of the observed circulations including the daytime up-valley flow, the nighttime slope, canyon, and down-valley flows, and the convergence of the flows over the valley. When there were errors in the simulated wind fields, they were usually associated with the timing, structure, or strength of specific flows. Simulated outflows from canyons along the Wasatch Mountains propagated over the valley and converged with the down-valley flow, but the advance and retreat of these simulated flows was often out of phase with the lidar measurements. While the flow reversal during the evening transition period produced rising motions over much of the valley atmosphere in the absence of significant ambient winds, average vertical velocities became close to zero as the down-valley flow developed. Still, vertical velocities between 5 and 15 cm s-1 occurred where down-slope, canyon and down-valley flows converged and vertical velocities greater than 50 cm s-1 were produced by hydraulic jumps at the base of the canyons. The presence of strong ambient winds resulted in smaller average rising motions during the evening transition period and larger average vertical velocities after that. A fraction of the tracer released at the surface was transported up to the height of the surrounding mountains; however, higher concentrations were produced aloft for evenings

  3. Optically Directed Assembly of Continuous Mesoscale Filaments...

    Office of Scientific and Technical Information (OSTI)

    Optically Directed Assembly of Continuous Mesoscale Filaments Citation Details In-Document Search Title: Optically Directed Assembly of Continuous Mesoscale Filaments Authors: ...

  4. Mesoscale magnetism (Journal Article) | DOE PAGES

    Office of Scientific and Technical Information (OSTI)

    Mesoscale magnetism This content will become publicly available on March 16, 2017 Prev Next Title: Mesoscale magnetism Authors: Hoffmann, Axel ; Schulthei, Helmut ...

  5. Poster Sessions J. Dudhia Mesoscale and Microscale Meteorology Division

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

    J. Dudhia Mesoscale and Microscale Meteorology Division National Center for Atmospheric Research Boulder, CO 80307-3000 Introduction The concept of an Integrated Data Assimilation and Sounding System (IDASS) ensures that the needs of data collection are partly determined by the requirements of an assimilating mesoscale model. Hence, the sounding strategy is geared towards allowing the model to do the best possible job in representing the atmosphere over CART sites, for example. It is not clear a

  6. Mesoscale Simulations of Particulate Flows with Parallel Distributed

    Office of Scientific and Technical Information (OSTI)

    Lagrange Multiplier Technique (Conference) | SciTech Connect Mesoscale Simulations of Particulate Flows with Parallel Distributed Lagrange Multiplier Technique Citation Details In-Document Search Title: Mesoscale Simulations of Particulate Flows with Parallel Distributed Lagrange Multiplier Technique Fluid particulate flows are common phenomena in nature and industry. Modeling of such flows at micro and macro levels as well establishing relationships between these approaches are needed to

  7. Sensitivity of summer ensembles of fledgling superparameterized U.S. mesoscale convective systems to cloud resolving model microphysics and grid configuration

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

    Elliott, Elizabeth J.; Yu, Sungduk; Kooperman, Gabriel J.; Morrison, Hugh; Wang, Minghuai; Pritchard, Michael S.

    2016-05-01

    The sensitivities of simulated mesoscale convective systems (MCSs) in the central U.S. to microphysics and grid configuration are evaluated here in a global climate model (GCM) that also permits global-scale feedbacks and variability. Since conventional GCMs do not simulate MCSs, studying their sensitivities in a global framework useful for climate change simulations has not previously been possible. To date, MCS sensitivity experiments have relied on controlled cloud resolving model (CRM) studies with limited domains, which avoid internal variability and neglect feedbacks between local convection and larger-scale dynamics. However, recent work with superparameterized (SP) GCMs has shown that eastward propagating MCS-likemore » events are captured when embedded CRMs replace convective parameterizations. This study uses a SP version of the Community Atmosphere Model version 5 (SP-CAM5) to evaluate MCS sensitivities, applying an objective empirical orthogonal function algorithm to identify MCS-like events, and harmonizing composite storms to account for seasonal and spatial heterogeneity. A five-summer control simulation is used to assess the magnitude of internal and interannual variability relative to 10 sensitivity experiments with varied CRM parameters, including ice fall speed, one-moment and two-moment microphysics, and grid spacing. MCS sensitivities were found to be subtle with respect to internal variability, and indicate that ensembles of over 100 storms may be necessary to detect robust differences in SP-GCMs. Furthermore, these results emphasize that the properties of MCSs can vary widely across individual events, and improving their representation in global simulations with significant internal variability may require comparison to long (multidecadal) time series of observed events rather than single season field campaigns.« less

  8. Mesoscale Simulations of Power Compaction

    SciTech Connect (OSTI)

    Lomov, I; Fujino, D; Antoun, T; Liu, B

    2009-08-06

    Mesoscale 3D simulations of metal and ceramic powder compaction in shock waves have been performed with an Eulerian hydrocode GEODYN. The approach was validated by simulating shock compaction of porous well-characterized ductile metal using Steinberg material model. Results of the simulations with handbook values for parameters of solid 2024 aluminum have good agreement with experimental compaction curves and wave profiles. Brittle ceramic materials are not so well studied as metals, so material model for ceramic (tungsten carbide) has been fitted to shock compression experiments of non-porous samples and further calibrated to match experimental compaction curves. Direct simulations of gas gun experiments with ceramic powder have been performed and showed good agreement with experimental data. Numerical shock wave profile has same character and thickness as measured with VISAR. Numerical results show reshock states above the single-shock Hugoniot line also observed in experiments. They found that to receive good quantitative agreement with experiment it is essential to perform 3D simulations.

  9. Use of ARM observations and numerical models to determine radiative and latent heating profiles of mesoscale convective systems for general circulation models

    SciTech Connect (OSTI)

    Tao, Wei-Kuo; Houze, Robert, A., Jr.; Zeng, Xiping

    2013-03-14

    This three-year project, in cooperation with Professor Bob Houze at University of Washington, has been successfully finished as planned. Both ARM (the Atmospheric Radiation Measurement Program) data and cloud-resolving model (CRM) simulations were used to identify the water budgets of clouds observed in two international field campaigns. The research results achieved shed light on several key processes of clouds in climate change (or general circulation models), which are summarized below. 1. Revealed the effect of mineral dust on mesoscale convective systems (MCSs) Two international field campaigns near a desert and a tropical coast provided unique data to drive and evaluate CRM simulations, which are TWP-ICE (the Tropical Warm Pool International Cloud Experiment) and AMMA (the African Monsoon Multidisciplinary Analysis). Studies of the two campaign data were contrasted, revealing that much mineral dust can bring about large MCSs via ice nucleation and clouds. This result was reported as a PI presentation in the 3rd ASR Science Team meeting held in Arlington, Virginia in March 2012. A paper on the studies was published in the Journal of the Atmospheric Sciences (Zeng et al. 2013). 2. Identified the effect of convective downdrafts on ice crystal concentration Using the large-scale forcing data from TWP-ICE, ARM-SGP (the Southern Great Plains) and other field campaigns, Goddard CRM simulations were carried out in comparison with radar and satellite observations. The comparison between model and observations revealed that convective downdrafts could increase ice crystal concentration by up to three or four orders, which is a key to quantitatively represent the indirect effects of ice nuclei, a kind of aerosol, on clouds and radiation in the Tropics. This result was published in the Journal of the Atmospheric Sciences (Zeng et al. 2011) and summarized in the DOE/ASR Research Highlights Summaries (see http://www.arm.gov/science/highlights/RMjY5/view). 3. Used radar

  10. Acoustic Characterization of Mesoscale Objects

    SciTech Connect (OSTI)

    Chinn, D; Huber, R; Chambers, D; Cole, G; Balogun, O; Spicer, J; Murray, T

    2007-03-13

    This report describes the science and engineering performed to provide state-of-the-art acoustic capabilities for nondestructively characterizing mesoscale (millimeter-sized) objects--allowing micrometer resolution over the objects entire volume. Materials and structures used in mesoscale objects necessitate the use of (1) GHz acoustic frequencies and (2) non-contacting laser generation and detection of acoustic waves. This effort demonstrated that acoustic methods at gigahertz frequencies have the necessary penetration depth and spatial resolution to effectively detect density discontinuities, gaps, and delaminations. A prototype laser-based ultrasonic system was designed and built. The system uses a micro-chip laser for excitation of broadband ultrasonic waves with frequency components reaching 1.0 GHz, and a path-stabilized Michelson interferometer for detection. The proof-of-concept for mesoscale characterization is demonstrated by imaging a micro-fabricated etched pattern in a 70 {micro}m thick silicon wafer.

  11. Review of structure representation and reconstruction on mesoscale and microscale

    SciTech Connect (OSTI)

    Li, Dongsheng

    2014-05-01

    Structure representation and reconstruction on mesoscale and microscale is critical in material design, advanced manufacturing and multiscale modeling. Microstructure reconstruction has been applied in different areas of materials science and technology, structural materials, energy materials, geology, hydrology, etc. This review summarizes the microstructure descriptors and formulations used to represent and algorithms to reconstruct structures at microscale and mesoscale. In the stochastic methods using correlation function, different optimization approaches have been adapted for objective function minimization. A variety of reconstruction approaches are compared in efficiency and accuracy.

  12. GAP Flow Measurements During the Mesoscale Alpine Programme

    SciTech Connect (OSTI)

    Mayr, G.; Armi, L.; Arnold, S.; Banta, Robert M.; Darby, Lisa S.; Durran, D. D.; Flamant, C.; Gabersek, S.; Gohm, A.; Mayr, R.; Mobbs, S.; Nance, L. B.; Vergeiner, I.; Vergeiner, J.; Whiteman, Charles D.

    2004-04-30

    This article provides an overview of the Gap Flow sub-program of the Mesoscale Alpine Programme, a major international meteorological field experiment conducted in the European Alps. The article describes the initial results of an investigation of the wind flow through the Brenner Pass gap in the east-west oriented central section of the European Alps under conditions of south foehn. The overview describes the objectives of the experiments, the instrumentation used for the field investigation, and the mesoscale model simulations. Initial findings of the scientific program are provided.

  13. Optically Directed Assembly of Continuous Mesoscale Filaments...

    Office of Scientific and Technical Information (OSTI)

    Optically Directed Assembly of Continuous Mesoscale Filaments Bahns, J. T.; Sankaranarayanan, S. K. R. S.; Gray, S. K.; Chen, L. Not Available American Physical Society None USDOE...

  14. Quanta to the Continuum: Opportunities for Mesoscale Science...

    Office of Scientific and Technical Information (OSTI)

    Conference: Quanta to the Continuum: Opportunities for Mesoscale Science Citation Details In-Document Search Title: Quanta to the Continuum: Opportunities for Mesoscale Science No ...

  15. In the OSTI Collections: Mesoscale Science | OSTI, US Dept of...

    Office of Scientific and Technical Information (OSTI)

    Mesoscale Science Article Acknowledgement: Dr. William N. Watson, Physicist DOE Office of ... Experiments and Tools Mesoscale science for defense Apparent requirements for ...

  16. DOE Science Showcase - Mesoscale | OSTI, US Dept of Energy Office...

    Office of Scientific and Technical Information (OSTI)

    Mesoscale science entails the observation, understanding, and control of these ... FOR MESOSCALE SCIENCE, A Report from the Basic Energy Sciences Advisory Committee. ...

  17. From Quanta to the Continuum: Opportunities for Mesoscale Science...

    Office of Scientific and Technical Information (OSTI)

    Opportunities for Mesoscale Science Citation Details In-Document Search Title: From Quanta to the Continuum: Opportunities for Mesoscale Science This report explores the ...

  18. Mesoscale Benchmark Demonstration Problem 1: Mesoscale Simulations of Intra-granular Fission Gas Bubbles in UO2 under Post-irradiation Thermal Annealing

    SciTech Connect (OSTI)

    Li, Yulan; Hu, Shenyang Y.; Montgomery, Robert; Gao, Fei; Sun, Xin; Tonks, Michael; Biner, Bullent; Millet, Paul; Tikare, Veena; Radhakrishnan, Balasubramaniam; Andersson , David

    2012-04-11

    A study was conducted to evaluate the capabilities of different numerical methods used to represent microstructure behavior at the mesoscale for irradiated material using an idealized benchmark problem. The purpose of the mesoscale benchmark problem was to provide a common basis to assess several mesoscale methods with the objective of identifying the strengths and areas of improvement in the predictive modeling of microstructure evolution. In this work, mesoscale models (phase-field, Potts, and kinetic Monte Carlo) developed by PNNL, INL, SNL, and ORNL were used to calculate the evolution kinetics of intra-granular fission gas bubbles in UO2 fuel under post-irradiation thermal annealing conditions. The benchmark problem was constructed to include important microstructural evolution mechanisms on the kinetics of intra-granular fission gas bubble behavior such as the atomic diffusion of Xe atoms, U vacancies, and O vacancies, the effect of vacancy capture and emission from defects, and the elastic interaction of non-equilibrium gas bubbles. An idealized set of assumptions was imposed on the benchmark problem to simplify the mechanisms considered. The capability and numerical efficiency of different models are compared against selected experimental and simulation results. These comparisons find that the phase-field methods, by the nature of the free energy formulation, are able to represent a larger subset of the mechanisms influencing the intra-granular bubble growth and coarsening mechanisms in the idealized benchmark problem as compared to the Potts and kinetic Monte Carlo methods. It is recognized that the mesoscale benchmark problem as formulated does not specifically highlight the strengths of the discrete particle modeling used in the Potts and kinetic Monte Carlo methods. Future efforts are recommended to construct increasingly more complex mesoscale benchmark problems to further verify and validate the predictive capabilities of the mesoscale modeling

  19. Explicit simulation of a midlatitude Mesoscale Convective System

    SciTech Connect (OSTI)

    Alexander, G.D.; Cotton, W.R.

    1996-04-01

    We have explicitly simulated the mesoscale convective system (MCS) observed on 23-24 June 1985 during PRE-STORM, the Preliminary Regional Experiment for the Stormscale Operational and Research and Meterology Program. Stensrud and Maddox (1988), Johnson and Bartels (1992), and Bernstein and Johnson (1994) are among the researchers who have investigated various aspects of this MCS event. We have performed this MCS simulation (and a similar one of a tropical MCS; Alexander and Cotton 1994) in the spirit of the Global Energy and Water Cycle Experiment Cloud Systems Study (GCSS), in which cloud-resolving models are used to assist in the formulation and testing of cloud parameterization schemes for larger-scale models. In this paper, we describe (1) the nature of our 23-24 June MCS dimulation and (2) our efforts to date in using our explicit MCS simulations to assist in the development of a GCM parameterization for mesoscale flow branches. The paper is organized as follows. First, we discuss the synoptic situation surrounding the 23-24 June PRE-STORM MCS followed by a discussion of the model setup and results of our simulation. We then discuss the use of our MCS simulation. We then discuss the use of our MCS simulations in developing a GCM parameterization for mesoscale flow branches and summarize our results.

  20. Assessment of MARMOT. A Mesoscale Fuel Performance Code

    SciTech Connect (OSTI)

    Tonks, M. R.; Schwen, D.; Zhang, Y.; Chakraborty, P.; Bai, X.; Fromm, B.; Yu, J.; Teague, M. C.; Andersson, D. A.

    2015-04-01

    MARMOT is the mesoscale fuel performance code under development as part of the US DOE Nuclear Energy Advanced Modeling and Simulation Program. In this report, we provide a high level summary of MARMOT, its capabilities, and its current state of validation. The purpose of MARMOT is to predict the coevolution of microstructure and material properties of nuclear fuel and cladding. It accomplished this using the phase field method coupled to solid mechanics and heat conduction. MARMOT is based on the Multiphysics Object-Oriented Simulation Environment (MOOSE), and much of its basic capability in the areas of the phase field method, mechanics, and heat conduction come directly from MOOSE modules. However, additional capability specific to fuel and cladding is available in MARMOT. While some validation of MARMOT has been completed in the areas of fission gas behavior and grain growth, much more validation needs to be conducted. However, new mesoscale data needs to be obtained in order to complete this validation.

  1. Linking atomistic and mesoscale simulations of nanocrystalline materials : quantitative validation for the case of grain growth.

    SciTech Connect (OSTI)

    Moldovan, D.; Wolf, D.; Phillpot, S. R.; Materials Science Division; Louisiana State Univ.

    2003-11-01

    Using grain growth in nanocrystalline palladium as a simple case study, we demonstrate how a novel mesoscale approach for simulating microstructural evolution in polycrystalline materials can be validated directly against atomic-level simulations of the same system. We first describe molecular dynamics simulations of grain growth in a columnar model microstructure. The atomic-level insights into the grain-growth mechanism gained from these simulations, particularly in the role of grain rotations, are captured theoretically for incorporation into the mesoscale approach, in which the objects evolving in space and time are the grain boundaries and grain junctions rather than the atoms. With all the input parameters to the mesoscale being physically well defined and obtained directly from the atomic-level simulations, the mesoscale simulations are fully prescribed. We find that the morphology of the mesoscale system evolves in an almost identical manner with that of the molecular dynamics simulation, demonstrating that the length- and time-scale linking has been performed correctly. When applied to systems containing large numbers of grains, the now validated mesoscale simulation approach allows the growth topology and long-time growth kinetics to be determined. As an outlook, we describe how the effects of applied stress can be incorporated.

  2. Secure Long Term Storage of Waste Products at the Karlsruhe Research Center

    SciTech Connect (OSTI)

    Graf, A.; Merx, H.; Valencia, L.

    2002-02-27

    Due to the political situation in Germany there will presumably be no final disposal for radioactive waste in the next 30 years. This means, that the operators of nuclear facilities have to ensure a secure long term intermediate storage for radioactive waste products. The Karlsruhe Research Center operated and cooperated with different nuclear research facilities and laboratories with hot cells, which are now dismantled. During operation and decommissioning of the nuclear facilities radioactive waste was produced. The Central Decontamination Department (HDB) of the Research Center Karlsruhe has been conditioning radioactive waste into waste products for final disposal. Until the opening of a final disposal the resulting waste products will have to be stored at the HDB. To ensure secure long term storage, quality preserving measures will have to be taken. For example, the corrosion-preventing coating of the containers has to be kept intact. In case of damage the container has to be repaired or should be replaced. Another long term protection measure is the casting of drums in concrete inside the containers. This provides an additional barrier layer in case of drum corrosion. At HDB 46,500 m{sup 3} of radioactive waste products are in intermediate storage. The main project of the next few years will be the realization of the quality measures. In this paper the different methods are described in detail.

  3. Impact of aerosol on mixed-phase stratocumulus during MPACE in a mesoscale

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

    model with two-moment microphysics Impact of aerosol on mixed-phase stratocumulus during MPACE in a mesoscale model with two-moment microphysics Morrison, Hugh MMM/ASP National Center for Atmospheric Research Pinto, James University of Colorado Curry, Judith Georgia Institute of Technology Category: Modeling The Penn State/NCAR mesoscale model MM5 is coupled to a new microphysics scheme to examine the impact of aerosol on mixed-phase stratocumulus during the Mixed-Phase Arctic Stratus

  4. Mesoscale morphologies in polymer thin films.

    SciTech Connect (OSTI)

    Ramanathan, M.; Darling, S. B. (Center for Nanoscale Materials)

    2011-06-01

    In the midst of an exciting era of polymer nanoscience, where the development of materials and understanding of properties at the nanoscale remain a major R&D endeavor, there are several exciting phenomena that have been reported at the mesoscale (approximately an order of magnitude larger than the nanoscale). In this review article, we focus on mesoscale morphologies in polymer thin films from the viewpoint of origination of structure formation, structure development and the interaction forces that govern these morphologies. Mesoscale morphologies, including dendrites, holes, spherulites, fractals and honeycomb structures have been observed in thin films of homopolymer, copolymer, blends and composites. Following a largely phenomenological level of description, we review the kinetic and thermodynamic aspects of mesostructure formation outlining some of the key mechanisms at play. We also discuss various strategies to direct, limit, or inhibit the appearance of mesostructures in polymer thin films as well as an outlook toward potential areas of growth in this field of research.

  5. Protection of Operators and Environment - the Safety Concept of the Karlsruhe Vitrification Plant VEK

    SciTech Connect (OSTI)

    Fleisch, J.; Kuttruf, H.; Lumpp, W.; Pfeifer, W.; Roth, G.; Weisenburger, S.

    2002-02-26

    The Karlsruhe Vitrification Plant (VEK) plant is a milestone in decommissioning and complete dismantling of the former Karlsruhe Reprocessing Plant WAK, which is in an advanced stage of disassembly. The VEK is scheduled to vitrify approx. 70 m3 of the highly radioactive liquid waste (HLW) resulting from reprocessing. Site preparation, civil work and component manufacturing began in 1999. The building will be finalized by mid of 2002, hot vitrification operation is currently scheduled for 2004/2005. Provisions against damages arising from construction and operation of the VEK had to be made in accordance with the state of the art as laid down in the German Atomic Law and the Radiation Protection Regulations. For this purpose, the appropriate analysis of accidents and their external and internal impacts were investigated. During the detailed design phase, a failure effects analysis was carried out, in which single events were studied with respect to the objectives of protection and ensuring activity containment, limiting radioactive discharges to the environment and protecting of the staff. Parallel to the planning phase of the VEK plant a cold prototype test facility (PVA) covering the main process steps was constructed and operated at the Institut fuer Nukleare Entsorgung (INE) of FZK. This pilot operation served to demonstrate the process technique and its operation with a simulated waste solution, and to test the main items of equipment, but was conducted also to use the experimental data and experience to back the safety concept of the radioactive VEK plant. This paper describes the basis of the safety concept of the VEK plant and results of the failure effect analysis. The experimental simulation of the failure scenarios, their effect on the process behavior, and the controllability of these events as well as the effect of the results on the safety concept of VEK are discussed. Additionally, an overview of the actual status of civil work and manufacturing of

  6. A Coupling Methodology for Mesoscale-informed Nuclear Fuel Performance Codes

    SciTech Connect (OSTI)

    Michael Tonks; Derek Gaston; Cody Permann; Paul Millett; Glen Hansen; Dieter Wolf

    2010-10-01

    This study proposes an approach for capturing the effect of microstructural evolution on reactor fuel performance by coupling a mesoscale irradiated microstructure model with a finite element fuel performance code. To achieve this, the macroscale system is solved in a parallel, fully coupled, fully-implicit manner using the preconditioned Jacobian-free Newton Krylov (JFNK) method. Within the JFNK solution algorithm, microstructure-influenced material parameters are calculated by the mesoscale model and passed back to the macroscale calculation. Due to the stochastic nature of the mesoscale model, a dynamic fitting technique is implemented to smooth roughness in the calculated material parameters. The proposed methodology is demonstrated on a simple model of a reactor fuel pellet. In the model, INLs BISON fuel performance code calculates the steady-state temperature profile in a fuel pellet and the microstructure-influenced thermal conductivity is determined with a phase field model of irradiated microstructures. This simple multiscale model demonstrates good nonlinear convergence and near ideal parallel scalability. By capturing the formation of large mesoscale voids in the pellet interior, the multiscale model predicted the irradiation-induced reduction in the thermal conductivity commonly observed in reactors.

  7. A case study of the Great Plains low-level jet using wind profiler network data and a high resolution mesoscale model

    SciTech Connect (OSTI)

    Zhong, S.; Fast, J.D.; Bian, X.; Stage, S.

    1996-04-01

    The Great Plains low-level jet (LLJ) has important effects on the life cycle of clouds and on radiative and surface heat and moisture fluxes at the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) Cloud and Radiation Testbed (CART) site. This diurnal phenomenon governs the transport and convergence of low-level moisture into the region and often leads to the development of clouds and precipitation. A full understanding of the life cycle of clouds at the SGP CART site and their proper representation in single column and global climate models cannot be obtained without an improved understanding of this important phenomenon.

  8. Mesoscale Modeling Framework Design: Subcontract Report Chen...

    Office of Scientific and Technical Information (OSTI)

    Tang, M; Heo, T W; Wood, B C 36 MATERIALS SCIENCE; 77 NANOSCIENCE AND NANOTECHNOLOGY; 25 ENERGY STORAGE Abstract not provided Lawrence Livermore National Laboratory (LLNL),...

  9. Mesoscale Modeling Framework Design: Subcontract Report (Technical...

    Office of Scientific and Technical Information (OSTI)

    Research Org: Lawrence Livermore National Laboratory (LLNL), Livermore, CA Sponsoring Org: USDOE Country of Publication: United States Language: English Subject: 36 MATERIALS ...

  10. Mesoscale Modeling Framework Design: Subcontract Report (Technical...

    Office of Scientific and Technical Information (OSTI)

    Close Cite: Bibtex Format Close 0 pages in this document matching the terms "" Search For Terms: Enter terms in the toolbar above to search the full text of this document for ...

  11. A mesoscale analysis of the Rayleigh-Plateau instability.

    SciTech Connect (OSTI)

    Pao, Wenxiao (BU); Soteriou, Marios (UTRC); Li, Xiaoyi (UTRC); Karniadakis, George (BU); Arienti, Marco

    2010-11-01

    Capillary pinch-off results carried out with the Many-Body Dissipative Particle Dynamics (MDPD) method are compared with the two-phase continuum discretization of hydrodynamics. The MDPD method provides a mesoscale description of the liquid-gas interface -- molecules can be thought of as grouped in particles with modeled Brownian and dissipative effects. No liquid-gas interface is explicitly defined; surface properties, such as surface tension, result from the MDPD interaction parameters. In side-to-side comparisons, the behavior of the MDPD liquid is demonstrated to replicate the macroscale behavior (thin interface assumption) calculated by the Combined Level Set-Volume of Fluid (CLSVOF) method. For instance, in both the continuum and mesoscale discretizations the most unstable wavelength perturbation leads to pinch-off, whereas a smaller wavelength-to-diameter ratio, as expected, does not. The behavior of the virial pressure in MDPD will be discussed in relation to the hydrodynamic capillary pressure that results from the thin interface assumption.

  12. Karlsruhe Database for Radioactive Wastes (KADABRA) - Accounting and Management System for Radioactive Waste Treatment - 12275

    SciTech Connect (OSTI)

    Himmerkus, Felix; Rittmeyer, Cornelia [WAK Rueckbau- und Entsorgungs- GmbH, 76339 Eggenstein-Leopoldshafen (Germany)

    2012-07-01

    The data management system KADABRA was designed according to the purposes of the Cen-tral Decontamination Department (HDB) of the Wiederaufarbeitungsanlage Karlsruhe Rueckbau- und Entsorgungs-GmbH (WAK GmbH), which is specialized in the treatment and conditioning of radioactive waste. The layout considers the major treatment processes of the HDB as well as regulatory and legal requirements. KADABRA is designed as an SAG ADABAS application on IBM system Z mainframe. The main function of the system is the data management of all processes related to treatment, transfer and storage of radioactive material within HDB. KADABRA records the relevant data concerning radioactive residues, interim products and waste products as well as the production parameters relevant for final disposal. Analytical data from the laboratory and non destructive assay systems, that describe the chemical and radiological properties of residues, production batches, interim products as well as final waste products, can be linked to the respective dataset for documentation and declaration. The system enables the operator to trace the radioactive material through processing and storage. Information on the actual sta-tus of the material as well as radiological data and storage position can be gained immediately on request. A variety of programs accessed to the database allow the generation of individual reports on periodic or special request. KADABRA offers a high security standard and is constantly adapted to the recent requirements of the organization. (authors)

  13. Tritium Laboratory Karlsruhe: administrative and technical framework for isotope laboratory operation

    SciTech Connect (OSTI)

    Welte, S.; Besserer, U.; Osenberg, D.; Wendel, J.

    2015-03-15

    Originally licensed in 1993 the Tritium Laboratory Karlsruhe (TLK) is a unique pilot scale isotope laboratory focused on tritium handling and processing to conduct a variety of scientific experiments and development tasks in view of future fusion power plants. TLK currently operates 15 glove boxes of 125 m{sup 3} total volume in an experimental hall measuring nearly 1500 m{sup 2}. The tritium infrastructure, comprising of the tritium storage system, the tritium transfer system and the isotope separation system, is integrated into TLK as a closed loop system to supply tritium to the experiments. Having a license for handling of up to 40 g of tritium and a closed tritium processing loop, TLK is a unique institute in non-military tritium research. In order to fulfil all requirements regarding the license, a framework of regulations is applied as a basis for the operation of TLK, as well as the setup of new experiments and the design of components. This paper will give an overview on the framework of operation in view of licensing issues, as well as administrative and technical regulations mandatory to legally and reliably operate an isotope laboratory of this scale.

  14. Research on long term safety of nuclear waste disposal at the research center Karlsruhe, Germany

    SciTech Connect (OSTI)

    Gompper, Klaus; Bosbach, Dirk; Denecke, Melissa A.; Geckeis, Horst; Kienzler, Bernhard; Klenze, Reinhardt

    2007-07-01

    In Germany the safe disposal of radioactive waste is in the responsibility of the federal government. The R and D performed in the Institute for Nuclear Waste Disposal (INE) at the Research Center Karlsruhe contributes to the German provident research in the field of long-term safety for final disposal of high level heat producing nuclear wastes. INE's research is focused on the actinide elements and long lived fission products since these dominate the radiotoxicity over a long time. The research strategy synergistically combines fundamental science of aquatic radionuclide chemistry with applied investigations of real systems (waste form, host rock, aquifer), studied on laboratory scale and in underground laboratories. Because Germany has not yet selected a site for a high-level waste repository, all host rock formations under discussion in the international community (salt, hard rock, clay/tone) are investigated. Emphasis in long-term safety R and D at INE is on the development of actinide speciation methods and techniques in the trace concentration range. (authors)

  15. From Quanta to the Continuum: Opportunities for Mesoscale Science...

    Office of Scientific and Technical Information (OSTI)

    Quanta to the Continuum: Opportunities for Mesoscale Science Crabtree, George Argonne National Lab. (ANL), Argonne, IL (United States); Sarrao, John Los Alamos National Lab....

  16. Challenge of Dynamic Mesoscale Imaging Barnes, Cris William ...

    Office of Scientific and Technical Information (OSTI)

    The Matter-Radiation Interactions in Extremes Project, and the Challenge of Dynamic Mesoscale Imaging Barnes, Cris William Los Alamos National Laboratory; Barber, John L. Los...

  17. Quanta to the Continuum: Opportunities for Mesoscale Science...

    Office of Scientific and Technical Information (OSTI)

    Quanta to the Continuum: Opportunities for Mesoscale Science Sarrao, John L Los Alamos National Laboratory; Crabtree, George Argonne National Laboratory 36 MATERIALS SCIENCE;...

  18. Unusual lithiation and fracture behavior of silicon mesoscale...

    Office of Scientific and Technical Information (OSTI)

    Unusual lithiation and fracture behavior of silicon mesoscale pillars: roles of ultrathin ... Citation Details In-Document Search Title: Unusual lithiation and fracture behavior of ...

  19. Mesoscale Simulations of Particulate Flows with Parallel Distributed...

    Office of Scientific and Technical Information (OSTI)

    Title: Mesoscale Simulations of Particulate Flows with Parallel Distributed Lagrange Multiplier Technique Fluid particulate flows are common phenomena in nature and industry. ...

  20. Meso-Scale during Electron Beam Additive Manufacturing Chen,...

    Office of Scientific and Technical Information (OSTI)

    Thermal Properties and Beam-Particle Interaction at Meso-Scale during Electron Beam Additive Manufacturing Chen, Jian ORNL ORNL; Zheng, Lili ORNL ORNL; Feng, Zhili...

  1. Mesoscale polycrystal calculations of damage in spallation in metals

    SciTech Connect (OSTI)

    Tonks, Davis L [Los Alamos National Laboratory; Bingert, John F [Los Alamos National Laboratory; Livescu, Veronica [Los Alamos National Laboratory; Luo, Shengnian [Los Alamos National Laboratory; Bronkhorst, C A [Los Alamos National Laboratory

    2010-01-01

    The goal of this project is to produce a damage model for spallation in metals informed by the polycrystalline grain structure at the mesoscale. Earlier damage models addressed the continuwn macroscale in which these effects were averaged out. In this work we focus on cross sections from recovered samples examined with EBSD (electron backscattered diffraction), which reveal crystal grain orientations and voids. We seek to understand the loading histories of specific sample regions by meshing up the crystal grain structure of these regions and simulating the stress, strain, and damage histories in our hydro code, FLAG. The stresses and strain histories are the fundamental drivers of damage and must be calculated. The calculated final damage structures are compared with those from the recovered samples to validate the simulations.

  2. Generation of mesoscale convective structures in tokamak edge plasma

    SciTech Connect (OSTI)

    Krasheninnikov, S. I.; Smolyakov, A. I. [University of California at San Diego, 9500 Gilman Drive, La Jolla, California 92093 (United States); University of Saskatchewan, 116 Science Place, Saskatoon, Saskatchewan S7N 5E2 (Canada)

    2007-10-15

    It is shown that the interplay of the interchange drive and nonlinear effects of Reynolds stress and inverse cascade of drift wave turbulence select a range of plasma parameters (plasma pressure), for which mesoscale perturbations of a certain transverse length scale become unstable. It is suggested that the blob formation is a result of these mesoscale instabilities.

  3. Mesoscale Engineering of Nanocomposite Nonlinear Optical Materials

    SciTech Connect (OSTI)

    Afonso, C.N.; Feldman, L.C.; Gonella, F.; Haglund, R.F.; Luepke, G.; Magruder, R.H.; Mazzoldi, P.; Osborne, D.H.; Solis, J.; Zuhr, R.A.

    1999-11-01

    Complex nonlinear optical materials comprising elemental, compound or alloy quantum dots embedded in appropriate dielectric or semiconducting hosts may be suitable for deployment in photonic devices. Ion implantation, ion exchange followed by ion implantation, and pulsed laser deposition have ail been used to synthesize these materials. However, the correlation between the parameters of energetic-beam synthesis and the nonlinear optical properties is still very rudimentary when one starts to ask what is happening at nanoscale dimensions. Systems integration of complex nonlinear optical materials requires that the mesoscale materials science be well understood within the context of device structures. We discuss the effects of beam energy and energy density on quantum-dot size and spatial distribution, thermal conductivity, quantum-dot composition, crystallinity and defects - and, in turn, on the third-order optical susceptibility of the composite material. Examples from recent work in our laboratories are used to illustrate these effects.

  4. In the OSTI Collections: Mesoscale Science | OSTI, US Dept of Energy Office

    Office of Scientific and Technical Information (OSTI)

    of Scientific and Technical Information Mesoscale Science Article Acknowledgement: Dr. William N. Watson, Physicist DOE Office of Scientific and Technical Information The mesoscale's significance Understanding deformation and flow at the mesoscale Experiments and Tools Mesoscale science for defense Apparent requirements for progress References Research Organizations Reports available through OSTI's SciTech Connect Patent available through OSTI's DOepatents Conferences Journals Additional

  5. From Quanta to the Continuum: Opportunities for Mesoscale Science

    SciTech Connect (OSTI)

    Crabtree, George; Sarrao, John; Alivisatos, Paul; Barletta, William; Bates, Frank; Brown, Gordon; French, Roger; Greene, Laura; Hemminger, John; Kastner, Marc; Kay, Bruce; Lewis, Jennifer; Ratner, Mark; Anthony, Rollett; Rubloff, Gary; Spence, John; Tobias, Douglas; Tranquada, John

    2012-09-01

    This report explores the opportunity and defines the research agenda for mesoscale science—discovering, understanding, and controlling interactions among disparate systems and phenomena to reach the full potential of materials complexity and functionality. The ability to predict and control mesoscale phenomena and architectures is essential if atomic and molecular knowledge is to blossom into a next generation of technology opportunities, societal benefits, and scientific advances.. The body of this report outlines the need, the opportunities, the challenges, and the benefits of mastering mesoscale science.

  6. Phase Effects on Mesoscale Object X-ray Absorption Images

    SciTech Connect (OSTI)

    Martz, Jr., H E; Aufderheide, M B; Barty, A; Lehman, S K; Kozioziemski, B J; Schneberk, D J

    2004-09-24

    At Lawrence Livermore National Laboratory particular emphasis is being placed on the nondestructive characterization (NDC) of 'mesoscale' objects.[Martz and Albrecht 2003] We define mesoscale objects as objects that have mm extent with {micro}m features. Here we confine our discussions to x-ray imaging methods applicable to mesoscale object characterization. The goal is object recovery algorithms including phase to enable emerging high-spatial resolution x-ray imaging methods to ''see'' inside or image mesoscale-size materials and objects. To be successful our imaging characterization effort must be able to recover the object function to one micrometer or better spatial resolution over a few millimeters field-of-view with very high contrast.

  7. Integrated Mesoscale Architectures for Sustainable Catalysis (IMASC) | U.S.

    Office of Science (SC) Website

    DOE Office of Science (SC) Integrated Mesoscale Architectures for Sustainable Catalysis (IMASC) Energy Frontier Research Centers (EFRCs) EFRCs Home Centers EFRC External Websites Research Science Highlights News & Events Publications History Contact BES Home Centers Integrated Mesoscale Architectures for Sustainable Catalysis (IMASC) Print Text Size: A A A FeedbackShare Page IMASC Header Director Cynthia Friend Lead Institution Harvard University Year Established 2014 Mission To drive

  8. Mesoscale simulations of particulate flows with parallel distributed

    Office of Scientific and Technical Information (OSTI)

    Lagrange multiplier technique (Journal Article) | SciTech Connect Journal Article: Mesoscale simulations of particulate flows with parallel distributed Lagrange multiplier technique Citation Details In-Document Search Title: Mesoscale simulations of particulate flows with parallel distributed Lagrange multiplier technique Authors: Kanarska, Y ; Lomov, I ; Antoun, T Publication Date: 2010-09-10 OSTI Identifier: 1120915 Report Number(s): LLNL-JRNL-455392 DOE Contract Number: W-7405-ENG-48

  9. Silicon Micromachined Dimensional Calibration Artifact for Mesoscale Measurement Machines

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

    Micromachined Dimensional Calibration Artifact for Mesoscale Measurement Machines 1 Silicon Micromachined Dimensional Calibration Artifact for Mesoscale Measurement Machines 2 Sandia National Laboratories PO Box 5800 Albuquerque, NM 87185 USA Hy D. Tran, PhD, PE Phone: (505)844-5417 Fax: (505)844-4372 hdtran@sandia.gov AFFIRMATION: I affirm that all information submitted as a part of, or supplemental to, this entry is a fair and accurate representation of this product.

  10. Optically Directed Assembly of Continuous Mesoscale Filaments (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect Journal Article: Optically Directed Assembly of Continuous Mesoscale Filaments Citation Details In-Document Search Title: Optically Directed Assembly of Continuous Mesoscale Filaments Authors: Bahns, J. T. ; Sankaranarayanan, S. K. R. S. ; Gray, S. K. ; Chen, L. Publication Date: 2011-02-28 OSTI Identifier: 1099937 Type: Publisher's Accepted Manuscript Journal Name: Physical Review Letters Additional Journal Information: Journal Volume: 106; Journal Issue: 9;

  11. Mesoscale and Large-Eddy Simulations for Wind Energy

    SciTech Connect (OSTI)

    Marjanovic, N

    2011-02-22

    Operational wind power forecasting, turbine micrositing, and turbine design require high-resolution simulations of atmospheric flow over complex terrain. The use of both Reynolds-Averaged Navier Stokes (RANS) and large-eddy (LES) simulations is explored for wind energy applications using the Weather Research and Forecasting (WRF) model. To adequately resolve terrain and turbulence in the atmospheric boundary layer, grid nesting is used to refine the grid from mesoscale to finer scales. This paper examines the performance of the grid nesting configuration, turbulence closures, and resolution (up to as fine as 100 m horizontal spacing) for simulations of synoptically and locally driven wind ramping events at a West Coast North American wind farm. Interestingly, little improvement is found when using higher resolution simulations or better resolved turbulence closures in comparison to observation data available for this particular site. This is true for week-long simulations as well, where finer resolution runs show only small changes in the distribution of wind speeds or turbulence intensities. It appears that the relatively simple topography of this site is adequately resolved by all model grids (even as coarse as 2.7 km) so that all resolutions are able to model the physics at similar accuracy. The accuracy of the results is shown in this paper to be more dependent on the parameterization of the land-surface characteristics such as soil moisture rather than on grid resolution.

  12. Fully-coupled engineering and mesoscale simulations of thermal conductivity in UO2 fuel using an implicit multiscale approach

    SciTech Connect (OSTI)

    Michael Tonks; Derek Gaston; Cody Permann; Paul Millett; Glen Hansen; Chris Newman

    2009-08-01

    Reactor fuel performance is sensitive to microstructure changes during irradiation (such as fission gas and pore formation). This study proposes an approach to capture microstructural changes in the fuel by a two-way coupling of a mesoscale phase field irradiation model to an engineering scale, finite element calculation. This work solves the multiphysics equation system at the engineering-scale in a parallel, fully-coupled, fully-implicit manner using a preconditioned Jacobian-free Newton Krylov method (JFNK). A sampling of the temperature at the Gauss points of the coarse scale is passed to a parallel sequence of mesoscale calculations within the JFNK function evaluation phase of the calculation. The mesoscale thermal conductivity is calculated in parallel, and the result is passed back to the engineering-scale calculation. As this algorithm is fully contained within the JFNK function evaluation, the mesoscale calculation is nonlinearly consistent with the engineering-scale calculation. Further, the action of the Jacobian is also consistent, so the composite algorithm provides the strong nonlinear convergence properties of Newton's method. The coupled model using INL's \\bison\\ code demonstrates quadratic nonlinear convergence and good parallel scalability. Initial results predict the formation of large pores in the hotter center of the pellet, but few pores on the outer circumference. Thus, the thermal conductivity is is reduced in the center of the pellet, leading to a higher internal temperature than that in an unirradiated pellet.

  13. Nesting large-eddy simulations within mesoscale simulations for wind energy applications

    SciTech Connect (OSTI)

    Lundquist, J K; Mirocha, J D; Chow, F K; Kosovic, B; Lundquist, K A

    2008-09-08

    With increasing demand for more accurate atmospheric simulations for wind turbine micrositing, for operational wind power forecasting, and for more reliable turbine design, simulations of atmospheric flow with resolution of tens of meters or higher are required. These time-dependent large-eddy simulations (LES), which resolve individual atmospheric eddies on length scales smaller than turbine blades and account for complex terrain, are possible with a range of commercial and open-source software, including the Weather Research and Forecasting (WRF) model. In addition to 'local' sources of turbulence within an LES domain, changing weather conditions outside the domain can also affect flow, suggesting that a mesoscale model provide boundary conditions to the large-eddy simulations. Nesting a large-eddy simulation within a mesoscale model requires nuanced representations of turbulence. Our group has improved the Weather and Research Forecasting model's (WRF) LES capability by implementing the Nonlinear Backscatter and Anisotropy (NBA) subfilter stress model following Kosovic (1997) and an explicit filtering and reconstruction technique to compute the Resolvable Subfilter-Scale (RSFS) stresses (following Chow et al, 2005). We have also implemented an immersed boundary method (IBM) in WRF to accommodate complex terrain. These new models improve WRF's LES capabilities over complex terrain and in stable atmospheric conditions. We demonstrate approaches to nesting LES within a mesoscale simulation for farms of wind turbines in hilly regions. Results are sensitive to the nesting method, indicating that care must be taken to provide appropriate boundary conditions, and to allow adequate spin-up of turbulence in the LES domain.

  14. Limitations of one-dimensional mesoscale PBL parameterizations in reproducing mountain-wave flows

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

    Munoz-Esparza, Domingo; Sauer, Jeremy A.; Linn, Rodman R.; Kosovic, Branko

    2015-12-08

    In this study, mesoscale models are considered to be the state of the art in modeling mountain-wave flows. Herein, we investigate the role and accuracy of planetary boundary layer (PBL) parameterizations in handling the interaction between large-scale mountain waves and the atmospheric boundary layer. To that end, we use recent large-eddy simulation (LES) results of mountain waves over a symmetric two-dimensional bell-shaped hill [Sauer et al., J. Atmos. Sci. (2015)], and compare them to four commonly used PBL schemes. We find that one-dimensional PBL parameterizations produce reasonable agreement with the LES results in terms of vertical wavelength, amplitude of velocitymore » and turbulent kinetic energy distribution in the downhill shooting flow region. However, the assumption of horizontal homogeneity in PBL parameterizations does not hold in the context of these complex flow configurations. This inappropriate modeling assumption results in a vertical wavelength shift producing errors of ≈ 10 m s–1 at downstream locations due to the presence of a coherent trapped lee wave that does not mix with the atmospheric boundary layer. In contrast, horizontally-integrated momentum flux derived from these PBL schemes displays a realistic pattern. Therefore results from mesoscale models using ensembles of one-dimensional PBL schemes can still potentially be used to parameterize drag effects in general circulation models. Nonetheless, three-dimensional PBL schemes must be developed in order for mesoscale models to accurately represent complex-terrain and other types of flows where one-dimensional PBL assumptions are violated.« less

  15. Limitations of one-dimensional mesoscale PBL parameterizations in reproducing mountain-wave flows

    SciTech Connect (OSTI)

    Munoz-Esparza, Domingo; Sauer, Jeremy A.; Linn, Rodman R.; Kosovic, Branko

    2015-12-08

    In this study, mesoscale models are considered to be the state of the art in modeling mountain-wave flows. Herein, we investigate the role and accuracy of planetary boundary layer (PBL) parameterizations in handling the interaction between large-scale mountain waves and the atmospheric boundary layer. To that end, we use recent large-eddy simulation (LES) results of mountain waves over a symmetric two-dimensional bell-shaped hill [Sauer et al., J. Atmos. Sci. (2015)], and compare them to four commonly used PBL schemes. We find that one-dimensional PBL parameterizations produce reasonable agreement with the LES results in terms of vertical wavelength, amplitude of velocity and turbulent kinetic energy distribution in the downhill shooting flow region. However, the assumption of horizontal homogeneity in PBL parameterizations does not hold in the context of these complex flow configurations. This inappropriate modeling assumption results in a vertical wavelength shift producing errors of ≈ 10 m s–1 at downstream locations due to the presence of a coherent trapped lee wave that does not mix with the atmospheric boundary layer. In contrast, horizontally-integrated momentum flux derived from these PBL schemes displays a realistic pattern. Therefore results from mesoscale models using ensembles of one-dimensional PBL schemes can still potentially be used to parameterize drag effects in general circulation models. Nonetheless, three-dimensional PBL schemes must be developed in order for mesoscale models to accurately represent complex-terrain and other types of flows where one-dimensional PBL assumptions are violated.

  16. Co-Design at the Mesoscale: Opportunities for NSLS-II (Conference...

    Office of Scientific and Technical Information (OSTI)

    Conference: Co-Design at the Mesoscale: Opportunities for NSLS-II Citation Details In-Document Search Title: Co-Design at the Mesoscale: Opportunities for NSLS-II Authors: Sarrao,...

  17. Co-Design at the Mesoscale: Opportunities for NSLS-II (Conference...

    Office of Scientific and Technical Information (OSTI)

    Conference: Co-Design at the Mesoscale: Opportunities for NSLS-II Citation Details In-Document Search Title: Co-Design at the Mesoscale: Opportunities for NSLS-II You are...

  18. Co-Design at the Mesoscale: Opportunities for NSLS-II (Conference...

    Office of Scientific and Technical Information (OSTI)

    Conference: Co-Design at the Mesoscale: Opportunities for NSLS-II Citation Details In-Document Search Title: Co-Design at the Mesoscale: Opportunities for NSLS-II Authors: Sarrao, ...

  19. Quanta to the Continuum: Opportunities for Mesoscale Science (Conference) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Conference: Quanta to the Continuum: Opportunities for Mesoscale Science Citation Details In-Document Search Title: Quanta to the Continuum: Opportunities for Mesoscale Science No abstract prepared. Authors: Sarrao, John L [1] ; Crabtree, George [2] + Show Author Affiliations Los Alamos National Laboratory Argonne National Laboratory Publication Date: 2012-09-06 OSTI Identifier: 1050503 Report Number(s): LA-UR-12-24565 TRN: US201218%%1487 DOE Contract Number: AC52-06NA25396

  20. Removal efficiency of silver impregnated filter materials and performance of iodie filters in the off-gas of the Karlsruhe reprocessing plant WAK

    SciTech Connect (OSTI)

    Herrmann, F.J.; Herrmann, B.; Hoeflich, V.

    1997-08-01

    An almost quantitative retention of iodine is required in reprocessing plants. For the iodine removal in the off-gas streams of a reprocessing plant various sorption materials had been tested under realistic conditions in the Karlsruhe reprocessing plant WAK in cooperation with the Karlsruhe research center FZK. The laboratory results achieved with different iodine sorption materials justified long time performance tests in the WAK Plant. Technical iodine filters and sorption materials for measurements of iodine had been tested from 1972 through 1992. This paper gives an overview over the most important results, Extended laboratory, pilot plant, hot cell and plant experiences have been performed concerning the behavior and the distribution of iodine-129 in chemical processing plants. In a conventional reprocessing plant for power reactor fuel, the bulk of iodine-129 and iodine-127 is evolved into the dissolver off-gas. The remainder is dispersed over many aqueous, organic and gaseous process and waste streams of the plant. Iodine filters with silver nitrate impregnated silica were installed in the dissolver off-gas of the Karlsruhe reprocessing plant WAK in 1975 and in two vessel vent systems in 1988. The aim of the Karlsruhe iodine research program was an almost quantitative evolution of the iodine during the dissolution process to remove as much iodine with the solid bed filters as possible. After shut down of the WAK plant in December 1990 the removal efficiency of the iodine filters at low iodine concentrations had been investigated during the following years. 12 refs., 2 figs., 2 tabs.

  1. Plant Decontamination as a Precondition of the Remote Dismantling Concept of the Karlsruhe Vitrification Plant VEK - 12206

    SciTech Connect (OSTI)

    Dux, Joachim; Fleisch, Joachim; Latzko, Bernhard; Rohleder, Norbert

    2012-07-01

    Vitrification of the high-active liquid waste concentrates (HAWC) was a major milestone in the WAK decommissioning project (StiWAK). From September 2009 to June 2010, about 56 m{sup 3} of HAWC were vitrified at the Karlsruhe vitrification facility (VEK) and filled into 123 canisters. HAWC vitrification was followed by an extensive rinsing and shutdown program, in the course of which both the VEK process installations and the facilities for the storage and evaporation of high-active fission product solutions (LAVA) are prepared specifically for dismantling. Finally the rinsing programme leads to an overall reduction of the remaining contamination in the installations by a factor of approx. 5 - 10. The amount of liquids arisen from this program has been vitrified and another 17 canisters have been filled. In total, 140 canisters were packed into 5 CASTOR casks that were already transported to the Zwischenlager Nord (interim store North) of EWN GmbH (ZLN) in the mid of February 2011. The melter of the VEK was already shut down in the late November 2010. (authors)

  2. Impact of Resolution on Simulation of Closed Mesoscale Cellular Convection Identified by Dynamically Guided Watershed Segmentation

    SciTech Connect (OSTI)

    Martini, Matus; Gustafson, William I.; Yang, Qing; Xiao, Heng

    2014-11-27

    Organized mesoscale cellular convection (MCC) is a common feature of marine stratocumulus that forms in response to a balance between mesoscale dynamics and smaller scale processes such as cloud radiative cooling and microphysics. We use the Weather Research and Forecasting model with chemistry (WRF-Chem) and fully coupled cloud-aerosol interactions to simulate marine low clouds during the VOCALS-REx campaign over the southeast Pacific. A suite of experiments with 3- and 9-km grid spacing indicates resolution-dependent behavior. The simulations with finer grid spacing have smaller liquid water paths and cloud fractions, while cloud tops are higher. The observed diurnal cycle is reasonably well simulated. To isolate organized MCC characteristics we develop a new automated method, which uses a variation of the watershed segmentation technique that combines the detection of cloud boundaries with a test for coincident vertical velocity characteristics. This ensures that the detected cloud fields are dynamically consistent for closed MCC, the most common MCC type over the VOCALS-REx region. We demonstrate that the 3-km simulation is able to reproduce the scaling between horizontal cell size and boundary layer height seen in satellite observations. However, the 9-km simulation is unable to resolve smaller circulations corresponding to shallower boundary layers, instead producing invariant MCC horizontal scale for all simulated boundary layers depths. The results imply that climate models with grid spacing of roughly 3 km or smaller may be needed to properly simulate the MCC structure in the marine stratocumulus regions.

  3. Crossing the mesoscale no-mans land via parallel kinetic Monte Carlo.

    SciTech Connect (OSTI)

    Garcia Cardona, Cristina (San Diego State University); Webb, Edmund Blackburn, III; Wagner, Gregory John; Tikare, Veena; Holm, Elizabeth Ann; Plimpton, Steven James; Thompson, Aidan Patrick; Slepoy, Alexander (U. S. Department of Energy, NNSA); Zhou, Xiao Wang; Battaile, Corbett Chandler; Chandross, Michael Evan

    2009-10-01

    The kinetic Monte Carlo method and its variants are powerful tools for modeling materials at the mesoscale, meaning at length and time scales in between the atomic and continuum. We have completed a 3 year LDRD project with the goal of developing a parallel kinetic Monte Carlo capability and applying it to materials modeling problems of interest to Sandia. In this report we give an overview of the methods and algorithms developed, and describe our new open-source code called SPPARKS, for Stochastic Parallel PARticle Kinetic Simulator. We also highlight the development of several Monte Carlo models in SPPARKS for specific materials modeling applications, including grain growth, bubble formation, diffusion in nanoporous materials, defect formation in erbium hydrides, and surface growth and evolution.

  4. Thermodynamic properties of mesoscale convective systems observed during BAMEX

    SciTech Connect (OSTI)

    Correia, James; Arritt, R.

    2008-11-01

    Dropsonde observations from the Bow-echo and Mesoscale convective vortex EXperiment (BAMEX) are used to document the spatio-temporal variability of temperature, moisture and wind within mesoscale convective systems (MCSs). Onion type sounding structures are found throughout the stratiform region of MCSs but the temperature and moisture variability is large. Composite soundings were constructed and statistics of thermodynamic variability were generated within each sub-region of the MCS. The calculated air vertical velocity helped identify subsaturated downdrafts. We found that lapse rates within the cold pool varied markedly throughout the MCS. Layered wet bulb potential temperature profiles seem to indicate that air within the lowest several km comes from a variety of source regions. We also found that lapse rate transitions across the 0 C level were more common than isothermal, melting layers. We discuss the implications these findings have and how they can be used to validate future high resolution numerical simulations of MCSs.

  5. Quantum fluctuations and saturable absorption in mesoscale lasers

    SciTech Connect (OSTI)

    Roy-Choudhury, Kaushik [Department of Physics and Astronomy, University of Southern California, Los Angeles, California 90089-0484 (United States); Levi, A. F. J. [Department of Physics and Astronomy, University of Southern California, Los Angeles, California 90089-0484 (United States); Department of Electrical Engineering, University of Southern California, Los Angeles, California 90089-2533 (United States)

    2011-04-15

    We present a quantum-mechanical treatment of fluctuations and saturable absorption in mesoscale lasers. The time evolution of the density matrix is obtained from numerical integration and field-field and intensity-intensity correlations are calculated to obtain steady-state linewidth and photon statistics. Inclusion of a saturable absorber in the otherwise homogeneous medium is shown to suppress lasing, increase fluctuations, and enhance spontaneous emission near threshold.

  6. Mesoscale simulation of shocked poly-(4-methyl-1-pentene) (PMP) foams.

    SciTech Connect (OSTI)

    Schroen, Diana Grace; Flicker, Dawn G.; Haill, Thomas A.; Root, Seth; Mattsson, Thomas Kjell Rene

    2011-06-01

    Hydrocarbon foams are commonly used in HEDP experiments, and are subject to shock compression from tens to hundreds of GPa. Modeling foams is challenging due to the heterogeneous character of the foam. A quantitative understanding of foams under strong dynamic compression is sought. We use Sandia's ALEGRA-MHD code to simulate 3D mesoscale models of pure poly(4-methyl-1-petene) (PMP) foams. We employ two models of the initial polymer-void structure of the foam and analyze the statistical properties of the initial and shocked states. We compare the simulations to multi-Mbar shock experiments at various initial foam densities and flyer impact velocities. Scatter in the experimental data may be a consequence of the initial foam inhomogeneity. We compare the statistical properties the simulations with the scatter in the experimental data.

  7. Deterministic, Nanoscale Fabrication of Mesoscale Objects

    SciTech Connect (OSTI)

    Jr., R M; Shirk, M; Gilmer, G; Rubenchik, A

    2004-09-24

    Neither LLNL nor any other organization has the capability to perform deterministic fabrication of mm-sized objects with arbitrary, {micro}m-sized, 3-dimensional features with 20-nm-scale accuracy and smoothness. This is particularly true for materials such as high explosives and low-density aerogels. For deterministic fabrication of high energy-density physics (HEDP) targets, it will be necessary both to fabricate features in a wide variety of materials as well as to understand and simulate the fabrication process. We continue to investigate, both in experiment and in modeling, the ablation/surface-modification processes that occur with the use of laser pulses that are near the ablation threshold fluence. During the first two years, we studied ablation of metals, and we used sub-ps laser pulses, because pulses shorter than the electron-phonon relaxation time offered the most precise control of the energy that can be deposited into a metal surface. The use of sub-ps laser pulses also allowed a decoupling of the energy-deposition process from the ensuing movement/ablation of the atoms from the solid, which simplified the modeling. We investigated the ablation of material from copper, gold, and nickel substrates. We combined the power of the 1-D hydrocode ''HYADES'' with the state-of-the-art, 3-D molecular dynamics simulations ''MDCASK'' in our studies. For FY04, we have stretched ourselves to investigate laser ablation of carbon, including chemically-assisted processes. We undertook this research, because the energy deposition that is required to perform direct sublimation of carbon is much higher than that to stimulate the reaction 2C + O{sub 2} => 2CO. Thus, extremely fragile carbon aerogels might survive the chemically-assisted process more readily than ablation via direct laser sublimation. We had planned to start by studying vitreous carbon and move onto carbon aerogels. We were able to obtain flat, high-quality vitreous carbon, which was easy to work on

  8. Computational Modeling of Heterogeneous Reactive Materials at the Mesoscale

    SciTech Connect (OSTI)

    BAER, MARVIN R.

    1999-09-22

    The mesoscopic processes of consolidation, deformation and reaction of shocked porous energetic materials are studied using shock physics analysis of impact on a collection of discrete ''crystals.'' Highly resolved three-dimensional CTH simulations indicate that rapid deformation occurs at material contact points causing large amplitude fluctuations of stress states with wavelengths of the order of several particle diameters. Localization of energy produces ''hot-spots'' due to shock focusing and plastic work near internal boundaries as material flows into interstitial regions. Numerical experiments indicate that ''hot-spots'' are strongly influenced by multiple crystal interactions. Chemical reaction processes also produce multiple wave structures associated with particle distribution effects. This study provides new insights into the micromechanical behavior of heterogeneous energetic materials strongly suggesting that initiation and sustained reaction of shocked heterogeneous materials involves states distinctly different from single jump state descriptions.

  9. STATISTICAL MECHANICS MODELING OF MESOSCALE DEFORMATION IN METALS...

    Office of Scientific and Technical Information (OSTI)

    ... The rest of the report gives and overview of the research performed under this project and highlights the key results and open questions left for future investigations. less ...

  10. LDRD final report : mesoscale modeling of dynamic loading of...

    Office of Scientific and Technical Information (OSTI)

    This report summarizes work performed as part of an LDRD effort (FY11 to FY13; project number 151364) to meet these needs. Authors: Robbins, Joshua ; Dingreville, Remi Philippe ...

  11. STATISTICAL MECHANICS MODELING OF MESOSCALE DEFORMATION IN METALS...

    Office of Scientific and Technical Information (OSTI)

    dislocation systems in deformed crystals. 2) Formulating kinetic equations of dislocations and coupling these kinetics equations and crystal mechanics. 3) Computational solution ...

  12. Analysis of Mesoscale Model Data for Wind Integration (Poster)

    SciTech Connect (OSTI)

    Schwartz, M.; Elliott, D.; Lew, D.; Corbus, D.; Scott, G.; Haymes, S.; Wan, Y. H.

    2009-05-01

    Supports examination of implications of national 20% wind vision, and provides input to integration and transmission studies for operational impact of large penetrations of wind on the grid.

  13. LDRD final report : mesoscale modeling of dynamic loading of...

    Office of Scientific and Technical Information (OSTI)

    Close Cite: Bibtex Format Close 0 pages in this document matching the terms "" Search For Terms: Enter terms in the toolbar above to search the full text of this document for ...

  14. Mesoscale modeling of intergranular bubble percolation in nuclear fuels

    SciTech Connect (OSTI)

    Millett, Paul C.; Tonks, Michael; Biner, S. B.

    2012-04-15

    Phase-field simulations are used to examine the variability of intergranular fission gas bubble growth and percolation on uranium dioxide grain boundaries on a mesoscopic length scale. Three key parameters are systematically varied in this study: the contact angle (or dihedral angle) defining the bubble shape, the initial bubble density on the grain boundary plane, and the ratio of the gas diffusivity on the grain boundary versus the grain interiors. The simulation results agree well with previous experimental data obtained for bubble densities and average bubble areas during coalescence events. Interestingly, the rate of percolation is found to be highly variable, with a large dependency on the contact angle and the initial bubble density and little-to-no dependency on the grain boundary gas diffusivity.

  15. MESOSCALE MODELING OF INTERGRANULAR BUBBLE PERCOLATION IN NUCLEAR FUELS

    SciTech Connect (OSTI)

    Paul C. Millett; Michael Tonks; S. B. Biner

    2012-04-01

    Phase-field simulations are used to examine the variability of intergranular fission gas bubble growth and percolation on uranium dioxide grain boundaries on a mesoscopic length scale. Three key parameters are systematically varied in this study: the contact angle (or dihedral angle) defining the bubble shape, the initial bubble density on the grain boundary plane, and the ratio of the gas diffusivity on the grain boundary versus the grain interiors. The simulation results agree well with previous experimental data obtained for bubble densities and average bubble areas during coalescence events. Interestingly, the rate of percolation is found to be highly variable, with a large dependency on the contact angle and the initial bubble density, and little-to-no dependency on the grain boundary gas diffusivity.

  16. STATISTICAL MECHANICS MODELING OF MESOSCALE DEFORMATION IN METALS...

    Office of Scientific and Technical Information (OSTI)

    ... Authors: Anter El-Azab Publication Date: 2013-04-08 OSTI Identifier: 1073049 Report Number(s): DOE-ER46494 DOE Contract Number: FG02-08ER46494 Resource Type: Technical Report ...

  17. Mesoscale simulations of shock initiation in energetic materials characterized by three-dimensional nanotomography.

    SciTech Connect (OSTI)

    Long, Gregory T.; Brundage, Aaron L.; Wixom, Ryan R.; Tappan, Alexander Smith

    2009-08-01

    Three-dimensional shock simulations of energetic materials have been conducted to improve our understanding of initiation at the mesoscale. Vapor-deposited films of PETN and pressed powders of HNS were characterized with a novel three-dimensional nanotomographic technique. Detailed microstructures were constructed experimentally from a stack of serial electron micrographs obtained by successive milling and imaging in a dual-beam FIB/SEM. These microstructures were digitized and imported into a multidimensional, multimaterial Eulerian shock physics code. The simulations provided insight into the mechanisms of pore collapse in PETN and HNS samples with distinctly different three-dimensional pore morphology and distribution. This modeling effort supports investigations of microscale explosive phenomenology and elucidates mechanisms governing initiation of secondary explosives.

  18. Predicting mesoscale microstructural evolution in electron beam welding

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

    Rodgers, Theron M.; Madison, Jonathan D.; Tikare, Veena; Maguire, Michael C.

    2016-03-16

    Using the kinetic Monte Carlo simulator, Stochastic Parallel PARticle Kinetic Simulator, from Sandia National Laboratories, a user routine has been developed to simulate mesoscale predictions of a grain structure near a moving heat source. Here, we demonstrate the use of this user routine to produce voxelized, synthetic, three-dimensional microstructures for electron-beam welding by comparing them with experimentally produced microstructures. When simulation input parameters are matched to experimental process parameters, qualitative and quantitative agreement for both grain size and grain morphology are achieved. The method is capable of simulating both single- and multipass welds. As a result, the simulations provide anmore » opportunity for not only accelerated design but also the integration of simulation and experiments in design such that simulations can receive parameter bounds from experiments and, in turn, provide predictions of a resultant microstructure.« less

  19. An analytical coarse-graining method which preserves the free energy, structural correlations, and thermodynamic state of polymer melts from the atomistic to the mesoscale

    SciTech Connect (OSTI)

    McCarty, J.; Clark, A. J.; Copperman, J.; Guenza, M. G.

    2014-05-28

    Structural and thermodynamic consistency of coarse-graining models across multiple length scales is essential for the predictive role of multi-scale modeling and molecular dynamic simulations that use mesoscale descriptions. Our approach is a coarse-grained model based on integral equation theory, which can represent polymer chains at variable levels of chemical details. The model is analytical and depends on molecular and thermodynamic parameters of the system under study, as well as on the direct correlation function in the k ? 0 limit, c{sub 0}. A numerical solution to the PRISM integral equations is used to determine c{sub 0}, by adjusting the value of the effective hard sphere diameter, d{sub HS}, to agree with the predicted equation of state. This single quantity parameterizes the coarse-grained potential, which is used to perform mesoscale simulations that are directly compared with atomistic-level simulations of the same system. We test our coarse-graining formalism by comparing structural correlations, isothermal compressibility, equation of state, Helmholtz and Gibbs free energies, and potential energy and entropy using both united atom and coarse-grained descriptions. We find quantitative agreement between the analytical formalism for the thermodynamic properties, and the results of Molecular Dynamics simulations, independent of the chosen level of representation. In the mesoscale description, the potential energy of the soft-particle interaction becomes a free energy in the coarse-grained coordinates which preserves the excess free energy from an ideal gas across all levels of description. The structural consistency between the united-atom and mesoscale descriptions means the relative entropy between descriptions has been minimized without any variational optimization parameters. The approach is general and applicable to any polymeric system in different thermodynamic conditions.

  20. Center for Mesoscale Transport Properties (m2M) | U.S. DOE Office of

    Office of Science (SC) Website

    Science (SC) Center for Mesoscale Transport Properties (m2M) Energy Frontier Research Centers (EFRCs) EFRCs Home Centers EFRC External Websites Research Science Highlights News & Events Publications History Contact BES Home Centers Center for Mesoscale Transport Properties (m2m) Print Text Size: A A A FeedbackShare Page m2M Header Director Esther Takeuchi Lead Institution Stony Brook University Year Established 2014 Mission To understand and provide control of transport properties in

  1. MICRO-SEISMOMETERS VIA ADVANCED MESO-SCALE FABRICATION

    SciTech Connect (OSTI)

    Garcia, Caesar A; Onaran, Guclu; Avenson, Brad; Hall, Neal

    2014-11-07

    The Department of Energy (DOE) and the National Nuclear Security Administration (NNSA) seek revolutionary sensing innovations for the monitoring of nuclear detonations. Performance specifications are to be consistent with those obtainable by only an elite few products available today, but with orders of magnitude reduction in size, weight, power, and cost. The proposed commercial innovation calls upon several technologies including the combination of meso-scale fabrication and assembly, photonics-based displacement / motion detection methods, and the use of digital control electronics . Early Phase II development has demonstrated verified and repeatable sub 2ng noise floor from 3Hz to 100Hz, compact integration of 3-axis prototypes, and robust deployment exercises. Ongoing developments are focusing on low frequency challenges, low power consumption, ultra-miniature size, and low cross axis sensitivity. We are also addressing the rigorous set of specifications required for repeatable and reliable long-term explosion monitoring, including thermal stability, reduced recovery time from mass re-centering and large mechanical shocks, sensitivity stability, and transportability. Successful implementation will result in small, hand-held demonstration units with the ability to address national security needs of the DOE/NNSA. Additional applications envisioned include military/defense, scientific instrumentation, oil and gas exploration, inertial navigation, and civil infrastructure monitoring.

  2. Refined BCF-type boundary conditions for mesoscale surface step dynamics

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

    Zhao, Renjie; Ackerman, David M.; Evans, James W.

    2015-06-24

    Deposition on a vicinal surface with alternating rough and smooth steps is described by a solid-on-solid model with anisotropic interactions. Kinetic Monte Carlo (KMC) simulations of the model reveal step pairing in the absence of any additional step attachment barriers. We explore the description of this behavior within an analytic Burton-Cabrera-Frank (BCF)-type step dynamics treatment. Without attachment barriers, conventional kinetic coefficients for the rough and smooth steps are identical, as are the predicted step velocities for a vicinal surface with equal terrace widths. However, we determine refined kinetic coefficients from a two-dimensional discrete deposition-diffusion equation formalism which accounts for stepmore » structure. These coefficients are generally higher for rough steps than for smooth steps, reflecting a higher propensity for capture of diffusing terrace adatoms due to a higher kink density. Such refined coefficients also depend on the local environment of the step and can even become negative (corresponding to net detachment despite an excess adatom density) for a smooth step in close proximity to a rough step. Incorporation of these refined kinetic coefficients into a BCF-type step dynamics treatment recovers quantitatively the mesoscale step-pairing behavior observed in the KMC simulations.« less

  3. Refined BCF-type boundary conditions for mesoscale surface step dynamics

    SciTech Connect (OSTI)

    Zhao, Renjie; Ackerman, David M.; Evans, James W.

    2015-06-24

    Deposition on a vicinal surface with alternating rough and smooth steps is described by a solid-on-solid model with anisotropic interactions. Kinetic Monte Carlo (KMC) simulations of the model reveal step pairing in the absence of any additional step attachment barriers. We explore the description of this behavior within an analytic Burton-Cabrera-Frank (BCF)-type step dynamics treatment. Without attachment barriers, conventional kinetic coefficients for the rough and smooth steps are identical, as are the predicted step velocities for a vicinal surface with equal terrace widths. However, we determine refined kinetic coefficients from a two-dimensional discrete deposition-diffusion equation formalism which accounts for step structure. These coefficients are generally higher for rough steps than for smooth steps, reflecting a higher propensity for capture of diffusing terrace adatoms due to a higher kink density. Such refined coefficients also depend on the local environment of the step and can even become negative (corresponding to net detachment despite an excess adatom density) for a smooth step in close proximity to a rough step. Incorporation of these refined kinetic coefficients into a BCF-type step dynamics treatment recovers quantitatively the mesoscale step-pairing behavior observed in the KMC simulations.

  4. Co-Design at the Mesoscale: Opportunities for NSLS-II (Conference) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Conference: Co-Design at the Mesoscale: Opportunities for NSLS-II Citation Details In-Document Search Title: Co-Design at the Mesoscale: Opportunities for NSLS-II Authors: Sarrao, John L. [1] + Show Author Affiliations Los Alamos National Laboratory Publication Date: 2013-08-15 OSTI Identifier: 1090634 Report Number(s): LA-UR-13-26447 DOE Contract Number: AC52-06NA25396 Resource Type: Conference Resource Relation: Conference: NSLS-II First Experiments Workshop ; 2013-08-12 -

  5. MaRIE: A facility for time-dependent materials science at the mesoscale

    Office of Scientific and Technical Information (OSTI)

    (Technical Report) | SciTech Connect Technical Report: MaRIE: A facility for time-dependent materials science at the mesoscale Citation Details In-Document Search Title: MaRIE: A facility for time-dependent materials science at the mesoscale Authors: Barnes, Cris William [1] ; Kippen, Karen Elizabeth [1] + Show Author Affiliations Los Alamos National Laboratory Publication Date: 2015-02-11 OSTI Identifier: 1170260 Report Number(s): LA-UR-15-20995 DOE Contract Number: AC52-06NA25396 Resource

  6. Mesoscale Simulations of a Wind Ramping Event for Wind Energy Prediction

    SciTech Connect (OSTI)

    Rhodes, M; Lundquist, J K

    2011-09-21

    Ramping events, or rapid changes of wind speed and wind direction over a short period of time, present challenges to power grid operators in regions with significant penetrations of wind energy in the power grid portfolio. Improved predictions of wind power availability require adequate predictions of the timing of ramping events. For the ramping event investigated here, the Weather Research and Forecasting (WRF) model was run at three horizontal resolutions in 'mesoscale' mode: 8100m, 2700m, and 900m. Two Planetary Boundary Layer (PBL) schemes, the Yonsei University (YSU) and Mellor-Yamada-Janjic (MYJ) schemes, were run at each resolution as well. Simulations were not 'tuned' with nuanced choices of vertical resolution or tuning parameters so that these simulations may be considered 'out-of-the-box' tests of a numerical weather prediction code. Simulations are compared with sodar observations during a wind ramping event at a 'West Coast North America' wind farm. Despite differences in the boundary-layer schemes, no significant differences were observed in the abilities of the schemes to capture the timing of the ramping event. As collaborators have identified, the boundary conditions of these simulations probably dominate the physics of the simulations. They suggest that future investigations into characterization of ramping events employ ensembles of simulations, and that the ensembles include variations of boundary conditions. Furthermore, the failure of these simulations to capture not only the timing of the ramping event but the shape of the wind profile during the ramping event (regardless of its timing) indicates that the set-up and execution of such simulations for wind power forecasting requires skill and tuning of the simulations for a specific site.

  7. Precipitation characteristics of CAM5 physics at mesoscale resolution...

    Office of Scientific and Technical Information (OSTI)

    has recently been implemented in the Weather Research and Forecasting (WRF) model to ... The ETS is a contingency table based met- ric comparing ''the number of correct forecasts ...

  8. Posters Mesoscale Simulations of Convective Systems with Data...

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

    In this study the feasibility of driving the model with surface data, rawinsonde data, profiler winds, microwave radiometer moisture data, and radio-acoustic sounding system (RASS) ...

  9. Dynamics and generation mechanisms of mesoscale structures in tokamak edge plasmas

    SciTech Connect (OSTI)

    Krasheninnikov, S. I. [University of California at San Diego, 9500 Gilman Drive, La Jolla, California 92093 (United States); Smolyakov, A. I. [University of Saskatchewan, 116 Science Place, Saskatoon, Saskatchewan S7N 5E2 (Canada)

    2008-05-15

    Intermittent convective-like plasma transport associated with mesoscale coherent structures extended along the magnetic field lines (''blobs'') is often dominant at the edge of tokamaks, stellarators, and linear devices. Blobs can travel a large distance toward the wall ({approx}10 cm and larger) and strongly enhance both edge plasma energy and particle transport and plasma-wall interactions. The dynamics of blobs and blob generation mechanisms are discussed in this paper.

  10. DOE Science Showcase - Mesoscale | OSTI, US Dept of Energy Office of

    Office of Scientific and Technical Information (OSTI)

    Scientific and Technical Information Mesoscale "The immense diversity of materials in the macroscopic world-hard, soft, viscous, conducting, insulating, magnetic, liquid, and gaseous-is made up of only a hundred or so distinct kinds of atoms representing the elements of the periodic table. The differences in the size, complexity, and operating principles of atoms and macroscopic materials are enormous . . . The enormous differences separating atoms and bulk materials appear at first

  11. Upscaling Calcite Growth Rates From the Mesoscale to the Macroscale

    SciTech Connect (OSTI)

    Bracco, Jacquelyn N [ORNL; Stack, Andrew G [ORNL; Steefel, Carl I [Lawrence Berkeley National Laboratory (LBNL)

    2013-01-01

    Quantitative prediction of mineral reaction rates in the subsurface remains a daunting task partly because a key parameter for macroscopic models, the reactive site density, is poorly constrained. Here we report atomic force microscopy (AFM) measurements on the calcite surface of monomolecular step densities, treated as equivalent to the reactive site density, as a function of aqueous calcium-to-carbonate ratio and saturation index. Data for the obtuse step orientation are combined with existing step velocity measurements to generate a model that predicts overall macroscopic calcite growth rates. The model is quantitatively consistent with several published macroscopic rates under a range of alkaline solution conditions, particularly for two of the most comprehensive data sets without the need for additional fit parameters. The model reproduces peak growth rates and its functional form is simple enough to be incorporated into reactive transport or other macroscopic models designed for predictions in porous media. However, it currently cannot model equilibrium, pH effects, and may overestimate rates at high aqueous calcium-to-carbonate ratios. The discrepancies in rates at high calcium-to-carbonate ratios may be due to differences in pre-treatment, such as exposing the seed material to SI 1.0 to generate/develop growth hillocks, or other factors.

  12. Modeling, Analysis and Simulation of Multiscale Preferential Flow - 8/05-8/10 - Final Report

    SciTech Connect (OSTI)

    Ralph Showalter; Malgorzata Peszynska

    2012-07-03

    The research agenda of this project are: (1) Modeling of preferential transport from mesoscale to macroscale; (2) Modeling of fast flow in narrow fractures in porous media; (3) Pseudo-parabolic Models of Dynamic Capillary Pressure; (4) Adaptive computational upscaling of flow with inertia from porescale to mesoscale; (5) Adaptive modeling of nonlinear coupled systems; and (6) Adaptive modeling and a-posteriori estimators for coupled systems with heterogeneous data.

  13. Coherent neutron scattering and collective dynamics on mesoscale

    SciTech Connect (OSTI)

    Novikov, Vladimir; Schweizer, Kenneth S; Sokolov, Alexei P

    2013-01-01

    By combining, and modestly extending, a variety of theoretical concepts for the dynamics of liquids in the supercooled regime, we formulate a simple analytic model for the temperature and wavevector dependent collective density fluctuation relaxation time that is measurable using coherent dynamic neutron scattering. Comparison with experiments on the ionic glass-forming liquid Ca K NO3 in the lightly supercooled regime suggests the model captures the key physics in both the local cage and mesoscopic regimes, including the unusual wavevector dependence of the collective structural relaxation time. The model is consistent with the idea that the decoupling between diffusion and viscosity is reflected in a different temperature dependence of the collective relaxation time at intermediate wavevectors and near the main (cage) peak of the static structure factor. More generally, our analysis provides support for the ideas that decoupling information and growing dynamic length scales can be at least qualitatively deduced by analyzing the collective relaxation time as a function of temperature and wavevector, and that there is a strong link between dynamic heterogeneity phenomena at the single and many particle level. Though very simple, the model can be applied to other systems, such as molecular liquids.

  14. Model for Simulation of Hydride Precipitation in Zr-Based Used Fuel Claddings: A Status Report on Current Model Capabilities

    Broader source: Energy.gov [DOE]

    The report demonstrates a meso-scale, microstructural evolution model for simulation of zirconium hydride precipitation in the cladding of used fuels during long-term dry-storage.

  15. Mesoscale Origin of the Enhanced Cycling-Stability of the Si-Conductive Polymer Anode for Li-ion Batteries

    SciTech Connect (OSTI)

    Gu, Meng; Xiao, Xingcheng; Liu, Gao; Thevuthasan, Suntharampillai; Baer, Donald R.; Zhang, Jiguang; Liu, Jun; Browning, Nigel D.; Wang, Chong M.

    2014-01-14

    Electrode used in lithium-ion battery is invariably a composite of multifunctional components. The performance of the electrode is controlled by the interactive function of all components at mesoscale. Fundamental understanding of mesoscale phenomenon sets the basis for innovative designing of new materials. Here we report the achievement and origin of a significant performance enhancement of electrode for lithium ion batteries based on Si nanoparticles wrapped with conductive polymer. This new material is in marked contrast with conventional material, which exhibit fast capacity fade. In-situ TEM unveils that the enhanced cycling stability of the conductive polymer-Si composite is associated with mesoscale concordant function of Si nanoparticles and the conductive polymer. Reversible accommodation of the volume changes of Si by the conductive polymer allows good electrical contact between all the particles during the cycling process. In contrast, the failure of the conventional Si-electrode is probed to be the inadequate electrical contact.

  16. Design and fabrication of a meso-scale stirling engine and combustor.

    SciTech Connect (OSTI)

    Echekki, Tarek (Sandia National Laboratories, Livermore, CA); Haroldsen, Brent L. (Sandia National Laboratories, Livermore, CA); Krafcik, Karen L. (Sandia National Laboratories, Livermore, CA); Morales, Alfredo Martin; Mills, Bernice E.; Liu, Shiling; Lee, Jeremiah C. (Sandia National Laboratories, Livermore, CA); Karpetis, Adionos N. (Sandia National Laboratories, Livermore, CA); Chen, Jacqueline H. (Sandia National Laboratories, Livermore, CA); Ceremuga, Joseph T. (Sandia National Laboratories, Livermore, CA); Raber, Thomas N.; Hekmuuaty, Michelle A.

    2005-05-01

    Power sources capable of supplying tens of watts are needed for a wide variety of applications including portable electronics, sensors, micro aerial vehicles, and mini-robotics systems. The utility of these devices is often limited by the energy and power density capabilities of batteries. A small combustion engine using liquid hydrocarbon fuel could potentially increase both power and energy density by an order of magnitude or more. This report describes initial development work on a meso-scale external combustion engine based on the Stirling cycle. Although other engine designs perform better at macro-scales, we believe the Stirling engine cycle is better suited to small-scale applications. The ideal Stirling cycle requires efficient heat transfer. Consequently, unlike other thermodynamic cycles, the high heat transfer rates that are inherent with miniature devices are an advantage for the Stirling cycle. Furthermore, since the Stirling engine uses external combustion, the combustor and engine can be scaled and optimized semi-independently. Continuous combustion minimizes issues with flame initiation and propagation. It also allows consideration of a variety of techniques to promote combustion that would be difficult in a miniature internal combustion engine. The project included design and fabrication of both the engine and the combustor. Two engine designs were developed. The first used a cylindrical piston design fabricated with conventional machining processes. The second design, based on the Wankel rotor geometry, was fabricated by through-mold electroforming of nickel in SU8 and LIGA micromolds. These technologies provided the requisite precision and tight tolerances needed for efficient micro-engine operation. Electroformed nickel is ideal for micro-engine applications because of its high strength and ductility. A rotary geometry was chosen because its planar geometry was more compatible with the fabrication process. SU8 lithography provided rapid

  17. Documentation of Hybrid Hydride Model for Incorporation into Moose-Bison and Validation Strategy

    Office of Energy Efficiency and Renewable Energy (EERE)

    This report documents the development, demonstration and validation of a mesoscale, microstructural evolution model for simulation of zirconium hydride d-ZrH1.5 precipitation in the cladding of...

  18. Ionic liquid-mediated synthesis of meso-scale porous lanthanum-transition-metal perovskites with high CO oxidation performance

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

    Lu, Hanfeng; Zhang, Pengfei; Qiao, Zhen-An; Zhang, Jinshui; Zhu, Huiyuan; Chen, Jihua; Chen, Yinfei; Dai, Sheng

    2015-02-19

    Lanthanum-transition-metal perovskites with robust meso-scale porous frameworks (meso-LaMO3) are synthesized through use of ionic liquids. The resultant samples demonstrate a rather high activity for CO oxidation, by taking advantage of unique nanostructure-derived benefits. This synthesis strategy opens up a new opportunity for preparing functional mesoporous complex oxides of various compositions.

  19. Ionic liquid-mediated synthesis of meso-scale porous lanthanum-transition-metal perovskites with high CO oxidation performance

    SciTech Connect (OSTI)

    Lu, Hanfeng; Zhang, Pengfei; Qiao, Zhen-An; Zhang, Jinshui; Zhu, Huiyuan; Chen, Jihua; Chen, Yinfei; Dai, Sheng

    2015-02-19

    Lanthanum-transition-metal perovskites with robust meso-scale porous frameworks (meso-LaMO3) are synthesized through use of ionic liquids. The resultant samples demonstrate a rather high activity for CO oxidation, by taking advantage of unique nanostructure-derived benefits. This synthesis strategy opens up a new opportunity for preparing functional mesoporous complex oxides of various compositions.

  20. Physically consistent simulation of mesoscale chemical kinetics: The non-negative FIS-{alpha} method

    SciTech Connect (OSTI)

    Dana, Saswati, E-mail: saswatid@rishi.serc.iisc.ernet.in [Supercomputer Education and Research Centre, Indian Institute of Science, Bangalore 560012 (India); Raha, Soumyendu, E-mail: raha@serc.iisc.ernet.in [Supercomputer Education and Research Centre, Indian Institute of Science, Bangalore 560012 (India)

    2011-10-01

    Biochemical pathways involving chemical kinetics in medium concentrations (i.e., at mesoscale) of the reacting molecules can be approximated as chemical Langevin equations (CLE) systems. We address the physically consistent non-negative simulation of the CLE sample paths as well as the issue of non-Lipschitz diffusion coefficients when a species approaches depletion and any stiffness due to faster reactions. The non-negative Fully Implicit Stochastic {alpha} (FIS {alpha}) method in which stopped reaction channels due to depleted reactants are deleted until a reactant concentration rises again, for non-negativity preservation and in which a positive definite Jacobian is maintained to deal with possible stiffness, is proposed and analysed. The method is illustrated with the computation of active Protein Kinase C response in the Protein Kinase C pathway.

  1. NIR-Selective electrochromic heteromaterial frameworks: a platform to understand mesoscale transport phenomena in solid-state electrochemical devices

    SciTech Connect (OSTI)

    Williams, TE; Chang, CM; Rosen, EL; Garcia, G; Runnerstrom, EL; Williams, BL; Koo, B; Buonsanti, R; Milliron, DJ; Helms, BA

    2014-01-01

    We report here the first solid-state, NIR-selective electrochromic devices. Critical to device performance is the arrangement of nanocrystal-derived electrodes into heteromaterial frameworks, where hierarchically porous ITO nanocrystal active layers are infiltrated by an ion-conducting polymer electrolyte with mesoscale periodicity. Enhanced coloration efficiency and transport are realized over unarchitectured electrodes in devices, paving the way towards new smart windows technologies.

  2. NEAMS FPL M2 Milestone Report: Development of a UO? Grain Size Model using Multicale Modeling and Simulation

    SciTech Connect (OSTI)

    Michael R Tonks; Yongfeng Zhang; Xianming Bai

    2014-06-01

    This report summarizes development work funded by the Nuclear Energy Advanced Modeling Simulation program's Fuels Product Line (FPL) to develop a mechanistic model for the average grain size in UO? fuel. The model is developed using a multiscale modeling and simulation approach involving atomistic simulations, as well as mesoscale simulations using INL's MARMOT code.

  3. Equilibrium Structure of a Triblock Copolymer System Revealed by Mesoscale Simulation and Neutron Scattering

    SciTech Connect (OSTI)

    Do, Changwoo [ORNL] [ORNL; Chen, Wei-Ren [ORNL] [ORNL; Hong, Kunlun [ORNL] [ORNL; Smith, Gregory Scott [ORNL] [ORNL

    2013-01-01

    We have performed both mesoscale simulations and neutron scattering experiments on Pluronic L62, a poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) (PEO-PPO-PEO) triblock copolymer system in aqueous solution. The influence of simulation variables such PEO/PPO block ratio, interaction parameters, and coarse-graining methods is extensively investigated by covering all permutations of parameters found in the literatures. Upon increasing the polymer weight fraction from 50 wt% to 90 wt%, the equilibrium structure of the isotropic, reverse micellar, bicontinuous, worm-like micelle network, and lamellar phases are respectively predicted from the simulation depending on the choices of simulation parameters. Small angle neutron scattering (SANS) measurements show that the same polymer systems exhibit the spherical micellar, lamellar, and reverse micellar phases with the increase of the copolymer concentration at room temperature. Detailed structural analysis and comparison with simulations suggest that one of the simulation parameter sets can provide reasonable agreement with the experimentally observed structures.

  4. Temperature-dependent elastic anisotropy and mesoscale deformation in a nanostructured ferritic alloy

    SciTech Connect (OSTI)

    Stoica, Grigoreta M [ORNL; Stoica, Alexandru Dan [ORNL; Miller, Michael K [ORNL; Ma, Dong [ORNL

    2014-01-01

    Nanostructured ferritic alloys (NFA) are a new class of ultrafine-grained oxide dispersion-strengthened steels, promising for service in extreme environments of high temperature and high irradiation in the next-generation of nuclear reactors. This is owing to the remarkable stability of their complex microstructures containing a high density of Y-Ti-O nanoclusters within grains and along the grain boundaries. While nanoclusters have been recognized to be the primary contributor to the exceptional resistance to irradiation and high-temperature creep, very little is known about the mechanical roles of the polycrystalline grains that constitute the bulk ferritic matrix. Here we report the mesoscale characterization of anisotropic responses of the ultrafine NFA grains to tensile stresses at various temperatures using the state-of-the-art in situ neutron diffraction. We show the first experimental determination of temperature-dependent single-crystal elastic constants for the NFA, and reveal a strong temperature-dependent elastic anisotropy due to a sharp decrease in the shear stiffness constant [c'=(c_11-c_12)/2] when a critical temperature ( T_c ) is approached, indicative of elastic softening and instability of the ferritic matrix. We also show, from anisotropy-induced intergranular strain/stress accumulations, that a common dislocation slip mechanism operates at the onset of yielding for low temperatures, while there is a deformation crossover from low-temperature lattice hardening to high temperature lattice softening in response to extensive plastic deformation.

  5. Temperature-dependent elastic anisotropy and mesoscale deformation in a nanostructured ferritic alloy

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

    Stoica, G. M.; Stoica, A. D.; Miller, M. K.; Ma, D.

    2014-10-10

    Nanostructured ferritic alloys (NFA) are a new class of ultrafine-grained oxide dispersion-strengthened steels, promising for service in extreme environments of high temperature and high irradiation in the next-generation of nuclear reactors. This is owing to the remarkable stability of their complex microstructures containing a high density of Y-Ti-O nanoclusters within grains and along the grain boundaries. While nanoclusters have been recognized to be the primary contributor to the exceptional resistance to irradiation and high-temperature creep, very little is known about the mechanical roles of the polycrystalline grains that constitute the bulk ferritic matrix. Here we report the mesoscale characterization ofmore » anisotropic responses of the ultrafine NFA grains to tensile stresses at various temperatures using the state-of-the-art in situ neutron diffraction. We show the first experimental determination of temperature-dependent single-crystal elastic constants for the NFA, and reveal a strong temperature-dependent elastic anisotropy due to a sharp decrease in the shear stiffness constant [c'=(c_11-c_12)/2] when a critical temperature ( T_c ) is approached, indicative of elastic softening and instability of the ferritic matrix. We also show, from anisotropy-induced intergranular strain/stress accumulations, that a common dislocation slip mechanism operates at the onset of yielding for low temperatures, while there is a deformation crossover from low-temperature lattice hardening to high temperature lattice softening in response to extensive plastic deformation.« less

  6. Measuring kinetic energy changes in the mesoscale with low acquisition rates

    SciTech Connect (OSTI)

    Roldn, .; Martnez, I. A.; Rica, R. A.; Dinis, L.

    2014-06-09

    We report on the measurement of the average kinetic energy changes in isothermal and non-isothermal quasistatic processes in the mesoscale, realized with a Brownian particle trapped with optical tweezers. Our estimation of the kinetic energy change allows to access to the full energetic description of the Brownian particle. Kinetic energy estimates are obtained from measurements of the mean square velocity of the trapped bead sampled at frequencies several orders of magnitude smaller than the momentum relaxation frequency. The velocity is tuned applying a noisy electric field that modulates the amplitude of the fluctuations of the position and velocity of the Brownian particle, whose motion is equivalent to that of a particle in a higher temperature reservoir. Additionally, we show that the dependence of the variance of the time-averaged velocity on the sampling frequency can be used to quantify properties of the electrophoretic mobility of a charged colloid. Our method could be applied to detect temperature gradients in inhomogeneous media and to characterize the complete thermodynamics of biological motors and of artificial micro and nanoscopic heat engines.

  7. Francesco Grilli: Karlsruhe Institute of Technology

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

    was his supervisor and mentor while he was at the Lab. In 2011 Grilli received the Dr. Meyer-Struckmann Science Prize of Bradenburg University of Technology Cottbus for his work...

  8. 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.

  9. Moist multi-scale models for the hurricane embryo

    SciTech Connect (OSTI)

    Majda, Andrew J.; Xing, Yulong; Mohammadian, Majid

    2010-01-01

    Determining the finite-amplitude preconditioned states in the hurricane embryo, which lead to tropical cyclogenesis, is a central issue in contemporary meteorology. In the embryo there is competition between different preconditioning mechanisms involving hydrodynamics and moist thermodynamics, which can lead to cyclogenesis. Here systematic asymptotic methods from applied mathematics are utilized to develop new simplified moist multi-scale models starting from the moist anelastic equations. Three interesting multi-scale models emerge in the analysis. The balanced mesoscale vortex (BMV) dynamics and the microscale balanced hot tower (BHT) dynamics involve simplified balanced equations without gravity waves for vertical vorticity amplification due to moist heat sources and incorporate nonlinear advective fluxes across scales. The BMV model is the central one for tropical cyclogenesis in the embryo. The moist mesoscale wave (MMW) dynamics involves simplified equations for mesoscale moisture fluctuations, as well as linear hydrostatic waves driven by heat sources from moisture and eddy flux divergences. A simplified cloud physics model for deep convection is introduced here and used to study moist axisymmetric plumes in the BHT model. A simple application in periodic geometry involving the effects of mesoscale vertical shear and moist microscale hot towers on vortex amplification is developed here to illustrate features of the coupled multi-scale models. These results illustrate the use of these models in isolating key mechanisms in the embryo in a simplified content.

  10. Meso-scale cooling effects of high albedo surfaces: Analysis of meteorological data from White Sands National Monument and White Sands Missile Range

    SciTech Connect (OSTI)

    Fishman, B.; Taha, H.; Akbari, H.

    1994-05-20

    Urban summer daytime temperatures often exceed those of the surrounding rural areas. Summer ``urban heat islands`` are caused by dark roofs and paved surfaces as well as the lack of vegetation. Researchers at Lawrence Berkeley Laboratory are interested in studying the effects of increasing the albedo of roof tops and paved surfaces in order to reduce the impacts of summer urban heat islands. Increasing the albedo of urban surfaces may reduce this heat island effect in two ways, directly and indirectly. The direct effect involves reducing surface temperature and, therefore, heat conduction through the building envelope. This effect of surface albedo on surface temperatures is better understood and has been quantified in several studies. The indirect effect is the impact of high albedo surfaces on the near surface air temperatures. Although the indirect effect has been modeled for the Los Angeles basin by Sailor, direct field observations are required. The objective of this report is to investigate the meso-scale climate of a large high albedo area and identify the effects of albedo on the near surface air temperature. To accomplish this task, data from several surface weather stations at White Sands, New Mexico were analyzed. This report is organized into six sections in addition to this introduction. The first gives the general geological, topographic, and meteorological background of White Sands. The second is a discussion of the basic surface meteorology of the White Sands region. This section is followed by a general discussion of the instrumentation and available data. The fourth section is a description of the method used for data analyis. The fifth section which presents the results of this analysis. Finally, the last section is the summary and conclusion, where a discussion of the results is presented.

  11. Posters Single-Column Model for Atmospheric Radiation Measurement Sites: Model

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

    3 Posters Single-Column Model for Atmospheric Radiation Measurement Sites: Model Development and Sensitivity Test Q. Xu and M. Dong Cooperative Institute of Mesoscale Meteorological Studies University of Oklahoma Norman, Oklahoma A single-column model (SCM) is constructed by extracting the physical subroutines from the community climate model (CCM1) of the National Center for Atmospheric Research. Using observational data obtained from the Oklahoma Atmospheric Radiation Measurement (ARM) site

  12. Carbonaceous spheresan unusual template for solid metal oxide mesoscale spheres: Application to ZnO spheres

    SciTech Connect (OSTI)

    Patrinoiu, Greta; Caldern-Moreno, Jose Maria; Culita, Daniela C. [Illie Murgulescu Institute of Physical Chemistry, Romanian Academy, Splaiul Independentei 202, 060021 Bucharest (Romania); Birjega, Ruxandra [National Institute for Lasers, Plasma and Radiation Physics, P.O. Box Mg27, Magurele, Bucharest (Romania); Ene, Ramona [Ilie Murgulescu Institute of Physical Chemistry, Romanian Academy, Splaiul Independentei 202, 060021 Bucharest (Romania); Carp, Oana, E-mail: ocarp@icf.ro [Ilie Murgulescu Institute of Physical Chemistry, Romanian Academy, Splaiul Independentei 202, 060021 Bucharest (Romania)

    2013-06-15

    A green template route for the synthesis of mesoscale solid ZnO spheres was ascertained. The protocol involves a double coating of the carbonaceous spheres with successive layers of zinc-containing species by alternating a non-ultrasound and ultrasound-assisted deposition, followed by calcination treatments. The composites were characterized by FTIR spectroscopy, thermal analysis, scanning electron microscopy while the obtained ZnO spheres by X-ray diffraction, Raman spectroscopy, scanning and transmission electron microscopy, N{sub 2} adsorptiondesorption isotherms and photoluminescence investigations. A growth mechanism of the solid spheres is advanced based on these results. While the spheres' diameters and the mean size values of ZnO are independent on deposition order, the surface area and the external porosity are fairly dependent. The photoluminescence measurements showed interesting emission features, with emission bands in the violet to orange region. The spheres present high photocatalytical activity towards the degradation of phenol under UV irradiation, the main reaction being its mineralization. - Graphical abstract: A novel and eco-friendly methodology for the synthesis of mesoscale solid ZnO spheres was developed. The protocol involves a double coating of the starch-derived carbonaceous spheres with successive layers of zinc-containing species by alternating a non-ultrasound and ultrasound-assisted deposition, followed by calcination treatments. - Highlights: ZnO solid spheres are obtained via a template route using carbonaceous spheres. Two-step coatings of interchangeable order are used as deposition procedure. The coating procedure influences the porosity and surface area. ZnO spheres exhibited interesting visible photoluminescence properties. Solid spheres showed photocatalytical activity in degradation of phenol.

  13. Better Catalysts through Microscopy: Mesoscale M1/M2 Intergrowth in Molybdenum–Vanadium Based Complex Oxide Catalysts for Propane Ammoxidation

    SciTech Connect (OSTI)

    He, Qian; Woo, Jungwon; Belianinov, Alexei; Guliants, Vadim V.; Borisevich, Albina Y.

    2015-03-06

    Catalysis research has transformed from the predominantly empirical field to one where it is possible to control the catalytic properties via characterization and modification of the atomic-scale active centers. Many phenomena in catalysis, such as synergistic effect, however, transcend the atomic scale and also require the knowledge and control of the mesoscale structure of the specimen to harness. Our paper, we use our discovery of atomic-scale epitaxial interfaces in molybdenum vanadium based complex oxide catalysts systems (i.e., MoVMO, M = Ta, Te, Sb, Nb, etc.) to achieve control of the mesoscale structure of this complex mixture of very different active phases. We can now achieve true epitaxial intergrowth between the catalytically critical M1 and M2 phases in the system that are hypothesized to have synergistic interactions, and demonstrate that the resulting catalyst has improved selectivity in the initial studies. Finally, we highlight the crucial role atomic scale characterization and mesoscale structure control play in uncovering the complex underpinnings of the synergistic effect in catalysis.

  14. Better Catalysts through Microscopy: Mesoscale M1/M2 Intergrowth in Molybdenum–Vanadium Based Complex Oxide Catalysts for Propane Ammoxidation

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

    He, Qian; Woo, Jungwon; Belianinov, Alexei; Guliants, Vadim V.; Borisevich, Albina Y.

    2015-03-06

    Catalysis research has transformed from the predominantly empirical field to one where it is possible to control the catalytic properties via characterization and modification of the atomic-scale active centers. Many phenomena in catalysis, such as synergistic effect, however, transcend the atomic scale and also require the knowledge and control of the mesoscale structure of the specimen to harness. Our paper, we use our discovery of atomic-scale epitaxial interfaces in molybdenum vanadium based complex oxide catalysts systems (i.e., MoVMO, M = Ta, Te, Sb, Nb, etc.) to achieve control of the mesoscale structure of this complex mixture of very different activemore » phases. We can now achieve true epitaxial intergrowth between the catalytically critical M1 and M2 phases in the system that are hypothesized to have synergistic interactions, and demonstrate that the resulting catalyst has improved selectivity in the initial studies. Finally, we highlight the crucial role atomic scale characterization and mesoscale structure control play in uncovering the complex underpinnings of the synergistic effect in catalysis.« less

  15. Simulations of Clouds and Sensitivity Study by Weather Research and Forecast Model for Atmospheric Radiation Measurement Case 4

    SciTech Connect (OSTI)

    Wu, J.; Zhang, M.

    2005-03-18

    One of the large errors in general circulation models (GCMs) cloud simulations is from the mid-latitude, synoptic-scale frontal cloud systems. Now, with the availability of the cloud observations from Atmospheric Radiation Measurement (ARM) 2000 cloud Intensive Operational Period (IOP) and other observational datasets, the community is able to document the model biases in comparison with the observations and make progress in development of better cloud schemes in models. Xie et al. (2004) documented the errors in midlatitude frontal cloud simulations for ARM Case 4 by single-column models (SCMs) and cloud resolving models (CRMs). According to them, the errors in the model simulated cloud field might be caused by following reasons: (1) lacking of sub-grid scale variability; (2) lacking of organized mesoscale cyclonic advection of hydrometeors behind a moving cyclone which may play important role to generate the clouds there. Mesoscale model, however, can be used to better under stand these controls on the subgrid variability of clouds. Few studies have focused on applying mesoscale models to the forecasting of cloud properties. Weaver et al. (2004) used a mesoscale model RAMS to study the frontal clouds for ARM Case 4 and documented the dynamical controls on the sub-GCM-grid-scale cloud variability.

  16. Final Report for Integrated Multiscale Modeling of Molecular Computing Devices

    SciTech Connect (OSTI)

    Glotzer, Sharon C.

    2013-08-28

    In collaboration with researchers at Vanderbilt University, North Carolina State University, Princeton and Oakridge National Laboratory we developed multiscale modeling and simulation methods capable of modeling the synthesis, assembly, and operation of molecular electronics devices. Our role in this project included the development of coarse-grained molecular and mesoscale models and simulation methods capable of simulating the assembly of millions of organic conducting molecules and other molecular components into nanowires, crossbars, and other organized patterns.

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

    SciTech Connect (OSTI)

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

    2013-04-11

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

  18. Poster Sessions

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

    Radiation Studies with a High-Resolution Mesoscale Model J. Dudhia Mesoscale and ... Research (NCAR) Mesoscale Model (MM5) is upgraded to include a radiation package. ...

  19. In Situ Decommissioning Sensor Network, Meso-Scale Test Bed - Phase 3 Fluid Injection Test Summary Report

    SciTech Connect (OSTI)

    Serrato, M. G.

    2013-09-27

    The DOE Office of Environmental management (DOE EM) faces the challenge of decommissioning thousands of excess nuclear facilities, many of which are highly contaminated. A number of these excess facilities are massive and robust concrete structures that are suitable for isolating the contained contamination for hundreds of years, and a permanent decommissioning end state option for these facilities is in situ decommissioning (ISD). The ISD option is feasible for a limited, but meaningfull number of DOE contaminated facilities for which there is substantial incremental environmental, safety, and cost benefits versus alternate actions to demolish and excavate the entire facility and transport the rubble to a radioactive waste landfill. A general description of an ISD project encompasses an entombed facility; in some cases limited to the blow-grade portion of a facility. However, monitoring of the ISD structures is needed to demonstrate that the building retains its structural integrity and the contaminants remain entombed within the grout stabilization matrix. The DOE EM Office of Deactivation and Decommissioning and Facility Engineering (EM-13) Program Goal is to develop a monitoring system to demonstrate long-term performance of closed nuclear facilities using the ISD approach. The Savannah River National Laboratory (SRNL) has designed and implemented the In Situ Decommissioning Sensor Network, Meso-Scale Test Bed (ISDSN-MSTB) to address the feasibility of deploying a long-term monitoring system into an ISD closed nuclear facility. The ISDSN-MSTB goal is to demonstrate the feasibility of installing and operating a remote sensor network to assess cementitious material durability, moisture-fluid flow through the cementitious material, and resulting transport potential for contaminate mobility in a decommissioned closed nuclear facility. The original ISDSN-MSTB installation and remote sensor network operation was demonstrated in FY 2011-12 at the ISDSN-MSTB test cube

  20. Sorption Phase of Supercritical CO2 in Silica Aerogel: Experiments and Mesoscale Computer Simulations

    SciTech Connect (OSTI)

    Rother, Gernot [ORNL; Vlcek, Lukas [ORNL; Gruszkiewicz, Miroslaw {Mirek} S [ORNL; Chialvo, Ariel A [ORNL; Anovitz, Lawrence {Larry} M [ORNL; Banuelos, Jose Leo [ORNL; Wallacher, Dirk [Helmholtz-Zentrum Berlin; Grimm, Nico [Helmholtz-Zentrum Berlin; Cole, David [Ohio State University

    2014-01-01

    Adsorption of supercritical CO2 in nanoporous silica aerogel was investigated by a combination of experiments and molecular-level computer modeling. High-pressure gravimetric and vibrating tube densimetry techniques were used to measure the mean pore fluid density and excess sorption at 35 C and 50 C and pressures of 0-200 bar. Densification of the pore fluid was observed at bulk fluid densities below 0.7 g/cm3. Far above the bulk fluid density, near-zero sorption or weak depletion effects were measured, while broad excess sorption maxima form in the vicinity of the bulk critical density region. The CO2 sorption properties are very similar for two aerogels with different bulk densities of 0.1 g/cm3 and 0.2 g/cm3, respectively. The spatial distribution of the confined supercritical fluid was analyzed in terms of sorption- and bulk-phase densities by means of the Adsorbed Phase Model (APM), which used data from gravimetric sorption and small-angle neutron scattering experiments. To gain more detailed insight into supercritical fluid sorption, large-scale lattice gas GCMC simulations were utilized and tuned to resemble the experimental excess sorption data. The computed three-dimensional pore fluid density distributions show that the observed maximum of the excess sorption near the critical density originates from large density fluctuations pinned to the pore walls. At this maximum, the size of these fluctuations is comparable to the prevailing pore sizes.

  1. MaRIE 1.0: The Matter-Radiation Interactions in Extremes Project, and the Challenge of Dynamic Mesoscale Imaging

    SciTech Connect (OSTI)

    Barnes, Cris William; Barber, John L.; Kober, Edward Martin; Lookman, Turab; Sandberg, Richard L.; Shlachter, Jack S.; Sheffield, Richard L.

    2015-02-23

    The Matter-Radiation Interactions in Extremes project will build the experimental facility for the time-dependent control of dynamic material performance. An x-ray free electron laser at up to 42-keV fundamental energy and with photon pulses down to sub-nanosecond spacing, MaRIE 1.0 is designed to meet the challenges of time-dependent mesoscale materials science. Those challenges will be outlined, the techniques of coherent diffractive imaging and dynamic polycrystalline diffraction described, and the resulting requirements defined for a coherent x-ray source. The talk concludes with the role of the MaRIE project and science in the future.

  2. Posters The Impacts of Data Error and Model Resolution

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

    7 Posters The Impacts of Data Error and Model Resolution on the Result of Variational Data Assimilation S. Yang and Q. Xu Cooperative Institute of Mesoscale Meteorological Studies University of Oklahoma Norman, Oklahoma Introduction The representativeness and accuracy of the measurements or estimates of the lateral boundary fluxes and surface fluxes are crucial for the single-column model and budget studies of climatic variables over Atmospheric Radiation Measurement (ARM) sites. Since the

  3. The Lagrangian particle dispersion model FLEXPART-WRF VERSION 3.1

    SciTech Connect (OSTI)

    Brioude, J.; Arnold, D.; Stohl, A.; Cassiani, M.; Morton, Don; Seibert, P.; Angevine, W. M.; Evan, S.; Dingwell, A.; Fast, Jerome D.; Easter, Richard C.; Pisso, I.; Bukhart, J.; Wotawa, G.

    2013-11-01

    The Lagrangian particle dispersion model FLEXPART was originally designed for cal- culating long-range and mesoscale dispersion of air pollutants from point sources, such as after an accident in a nuclear power plant. In the meantime FLEXPART has evolved into a comprehensive tool for atmospheric transport modeling and analysis at different scales. This multiscale need from the modeler community has encouraged new developments in FLEXPART. In this document, we present a version that works with the Weather Research and Forecasting (WRF) mesoscale meteoro- logical model. Simple procedures on how to run FLEXPART-WRF are presented along with special options and features that differ from its predecessor versions. In addition, test case data, the source code and visualization tools are provided to the reader as supplementary material.

  4. Modeling

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

    Modeling & Analysis, News, News & Events, Photovoltaic, Renewable Energy, Research & Capabilities, Solar, Solar Newsletter, SunShot, Systems Analysis Sandia Develops Stochastic ...

  5. Modeling

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

    Monte Carlo modeling it was found that for noisy signals with a significant background component, accuracy is improved by fitting the total emission data which includes the...

  6. Modeling

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

    Solar Sandia Labs Releases New Version of PVLib Toolbox Sandia has released version 1.3 of PVLib, its widely used Matlab toolbox for modeling photovoltaic (PV) power ...

  7. Modeling

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

    ... Sandia Will Host PV Bankability Workshop at Solar Power International (SPI) 2013 Computational Modeling & Simulation, Distribution Grid Integration, Energy, Facilities, Grid ...

  8. Modeling

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

    Science and Actuarial Practice" Read More Permalink New Project Is the ACME of Computer Science to Address Climate Change Analysis, Climate, Global Climate & Energy, Modeling, ...

  9. Modeling

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

    Though adequate for modeling mean transport, this approach does not address ... Microphysics such as diffusive transport and chemical kinetics are represented by ...

  10. Towards a Fine-Resolution Global Coupled Climate System for Prediction...

    Office of Scientific and Technical Information (OSTI)

    58 GEOSCIENCES climate, numerical modeling, earth system model, ocean, sea-ice, mesoscale eddies climate, numerical modeling, earth system model, ocean, sea-ice, mesoscale...

  11. TITLE AUTHORS SUBJECT SUBJECT RELATED DESCRIPTION PUBLISHER AVAILABILI...

    Office of Scientific and Technical Information (OSTI)

    Oceanography GEOSCIENCES climate numerical modeling earth system model ocean sea ice mesoscale eddies climate numerical modeling earth system model ocean sea ice mesoscale eddies...

  12. Precipitation characteristics of CAM5 physics at mesoscale resolution during MC3E and the impact of convective timescale choice

    SciTech Connect (OSTI)

    Gustafson, William I.; Ma, Po-Lun; Singh, Balwinder

    2014-12-01

    The physics suite of the Community Atmosphere Model version 5 (CAM5) has recently been implemented in the Weather Research and Forecasting (WRF) model to explore the behavior of the parameterization suite at high resolution and in the more controlled setting of a limited area model. The initial paper documenting this capability characterized the behavior for northern high latitude conditions. This present paper characterizes the precipitation characteristics for continental, mid-latitude, springtime conditions during the Midlatitude Continental Convective Clouds Experiment (MC3E) over the central United States. This period exhibited a range of convective conditions from those driven strongly by large-scale synoptic regimes to more locally driven convection. The study focuses on the precipitation behavior at 32 km grid spacing to better anticipate how the physics will behave in the global model when used at similar grid spacing in the coming years. Importantly, one change to the Zhang-McFarlane deep convective parameterization when implemented in WRF was to make the convective timescale parameter an explicit function of grid spacing. This study examines the sensitivity of the precipitation to the default value of the convective timescale in WRF, which is 600 seconds for 32 km grid spacing, to the value of 3600 seconds used for 2 degree grid spacing in CAM5. For comparison, an infinite convective timescale is also used. The results show that the 600 second timescale gives the most accurate precipitation over the central United States in terms of rain amount. However, this setting has the worst precipitation diurnal cycle, with the convection too tightly linked to the daytime surface heating. Longer timescales greatly improve the diurnal cycle but result in less precipitation and produce a low bias. An analysis of rain rates shows the accurate precipitation amount with the shorter timescale is assembled from an over abundance of drizzle combined with too little heavy

  13. Precipitation characteristics of CAM5 physics at mesoscale resolution during MC3E and the impact of convective timescale choice

    SciTech Connect (OSTI)

    Gustafson, William I.; Ma, Po-Lun; Singh, Balwinder

    2014-12-17

    The physics suite of the Community Atmosphere Model version 5 (CAM5) has recently been implemented in the Weather Research and Forecasting (WRF) model to explore the behavior of the parameterization suite at high resolution and in the more controlled setting of a limited area model. The initial paper documenting this capability characterized the behavior for northern high latitude conditions. This present paper characterizes the precipitation characteristics for continental, mid-latitude, springtime conditions during the Midlatitude Continental Convective Clouds Experiment (MC3E) over the central United States. This period exhibited a range of convective conditions from those driven strongly by large-scale synoptic regimes to more locally driven convection. The study focuses on the precipitation behavior at 32 km grid spacing to better anticipate how the physics will behave in the global model when used at similar grid spacing in the coming years. Importantly, one change to the Zhang-McFarlane deep convective parameterization when implemented in WRF was to make the convective timescale parameter an explicit function of grid spacing. This study examines the sensitivity of the precipitation to the default value of the convective timescale in WRF, which is 600 seconds for 32 km grid spacing, to the value of 3600 seconds used for 2 degree grid spacing in CAM5. For comparison, an infinite convective timescale is also used. The results show that the 600 second timescale gives the most accurate precipitation over the central United States in terms of rain amount. However, this setting has the worst precipitation diurnal cycle, with the convection too tightly linked to the daytime surface heating. Longer timescales greatly improve the diurnal cycle but result in less precipitation and produce a low bias. An analysis of rain rates shows the accurate precipitation amount with the shorter timescale is assembled from an over abundance of drizzle combined with too little heavy

  14. Precipitation characteristics of CAM5 physics at mesoscale resolution during MC3E and the impact of convective timescale choice

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

    Gustafson, William I.; Ma, Po-Lun; Singh, Balwinder

    2014-12-17

    The physics suite of the Community Atmosphere Model version 5 (CAM5) has recently been implemented in the Weather Research and Forecasting (WRF) model to explore the behavior of the parameterization suite at high resolution and in the more controlled setting of a limited area model. The initial paper documenting this capability characterized the behavior for northern high latitude conditions. This present paper characterizes the precipitation characteristics for continental, mid-latitude, springtime conditions during the Midlatitude Continental Convective Clouds Experiment (MC3E) over the central United States. This period exhibited a range of convective conditions from those driven strongly by large-scale synoptic regimesmore » to more locally driven convection. The study focuses on the precipitation behavior at 32 km grid spacing to better anticipate how the physics will behave in the global model when used at similar grid spacing in the coming years. Importantly, one change to the Zhang-McFarlane deep convective parameterization when implemented in WRF was to make the convective timescale parameter an explicit function of grid spacing. This study examines the sensitivity of the precipitation to the default value of the convective timescale in WRF, which is 600 seconds for 32 km grid spacing, to the value of 3600 seconds used for 2 degree grid spacing in CAM5. For comparison, an infinite convective timescale is also used. The results show that the 600 second timescale gives the most accurate precipitation over the central United States in terms of rain amount. However, this setting has the worst precipitation diurnal cycle, with the convection too tightly linked to the daytime surface heating. Longer timescales greatly improve the diurnal cycle but result in less precipitation and produce a low bias. An analysis of rain rates shows the accurate precipitation amount with the shorter timescale is assembled from an over abundance of drizzle combined with too

  15. Modeling

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

    with application in modeling NDCX-II experiments Wangyi Liu 1 , John Barnard 2 , Alex Friedman 2 , Nathan Masters 2 , Aaron Fisher 2 , Alice Koniges 2 , David Eder 2 1 LBNL, USA, 2...

  16. Modeling

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

    NASA Earth at Night Video EC, Energy, Energy Efficiency, Global, Modeling, News & Events, Solid-State Lighting, Videos NASA Earth at Night Video Have you ever wondered what the ...

  17. Permeability and kinetic coefficients for mesoscale BCF surface step dynamics: Discrete two-dimensional deposition-diffusion equation analysis

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

    Zhao, Renjie; Evans, James W.; Oliveira, Tiago J.

    2016-04-08

    Here, a discrete version of deposition-diffusion equations appropriate for description of step flow on a vicinal surface is analyzed for a two-dimensional grid of adsorption sites representing the stepped surface and explicitly incorporating kinks along the step edges. Model energetics and kinetics appropriately account for binding of adatoms at steps and kinks, distinct terrace and edge diffusion rates, and possible additional barriers for attachment to steps. Analysis of adatom attachment fluxes as well as limiting values of adatom densities at step edges for nonuniform deposition scenarios allows determination of both permeability and kinetic coefficients. Behavior of these quantities is assessedmore » as a function of key system parameters including kink density, step attachment barriers, and the step edge diffusion rate.« less

  18. Modeling

    SciTech Connect (OSTI)

    Loth, E.; Tryggvason, G.; Tsuji, Y.; Elghobashi, S. E.; Crowe, Clayton T.; Berlemont, A.; Reeks, M.; Simonin, O.; Frank, Th; Onishi, Yasuo; Van Wachem, B.

    2005-09-01

    Slurry flows occur in many circumstances, including chemical manufacturing processes, pipeline transfer of coal, sand, and minerals; mud flows; and disposal of dredged materials. In this section we discuss slurry flow applications related to radioactive waste management. The Hanford tank waste solids and interstitial liquids will be mixed to form a slurry so it can be pumped out for retrieval and treatment. The waste is very complex chemically and physically. The ARIEL code is used to model the chemical interactions and fluid dynamics of the waste.

  19. ARM - Publications: Science Team Meeting Documents: Evaluation...

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

    Evaluation of mesoscale model cloud simulations of the March 2000 IOP Tselioudis, George NASAGoddard Institute for Space Studies A suite of mesoscale models was used to produce...

  20. TITLE AUTHORS SUBJECT SUBJECT RELATED DESCRIPTION PUBLISHER AVAILABILI...

    Office of Scientific and Technical Information (OSTI)

    STATISTICAL MECHANICS MODELING OF MESOSCALE DEFORMATION IN METALS Anter El Azab MATERIALS SCIENCE dislocation dynamics mesoscale deformation of metals crystal mechanics dislocation...

  1. Gradient Plasticity Model and its Implementation into MARMOT

    SciTech Connect (OSTI)

    Barker, Erin I.; Li, Dongsheng; Zbib, Hussein M.; Sun, Xin

    2013-08-01

    The influence of strain gradient on deformation behavior of nuclear structural materials, such as boby centered cubic (bcc) iron alloys has been investigated. We have developed and implemented a dislocation based strain gradient crystal plasticity material model. A mesoscale crystal plasticity model for inelastic deformation of metallic material, bcc steel, has been developed and implemented numerically. Continuum Dislocation Dynamics (CDD) with a novel constitutive law based on dislocation density evolution mechanisms was developed to investigate the deformation behaviors of single crystals, as well as polycrystalline materials by coupling CDD and crystal plasticity (CP). The dislocation density evolution law in this model is mechanism-based, with parameters measured from experiments or simulated with lower-length scale models, not an empirical law with parameters back-fitted from the flow curves.

  2. Modeling nanoscale hydrodynamics by smoothed dissipative particle dynamics

    SciTech Connect (OSTI)

    Lei, Huan; Mundy, Christopher J.; Schenter, Gregory K.; Voulgarakis, Nikolaos

    2015-05-21

    Thermal fluctuation and hydrophobicity are two hallmarks of fluid hydrodynamics on the nano-scale. It is a challenge to consistently couple the small length and time scale phenomena associated with molecular interaction with larger scale phenomena. The development of this consistency is the essence of mesoscale science. In this study, we develop a nanoscale fluid model based on smoothed dissipative particle dynamics that accounts for the phenomena of associated with density fluctuations and hydrophobicity. We show consistency in the fluctuation spectrum across scales. In doing so, it is necessary to account for finite fluid particle size. Furthermore, we demonstrate that the present model can capture of the void probability and solvation free energy of apolar particles of different sizes. The present fluid model is well suited for a understanding emergent phenomena in nano-scale fluid systems.

  3. Discharge Performance of Li-O2 Batteries Using a Multiscale Modeling Approach

    SciTech Connect (OSTI)

    Bao, Jie; Xu, Wu; Bhattacharya, Priyanka; Stewart, Mark L.; Zhang, Jiguang; Pan, Wenxiao

    2015-06-10

    To study the discharge performance of Li–O2 batteries, we propose a multiscale modeling framework that links models in an upscaling fashion from the nanoscale to mesoscale and finally to the device scale. We have effectively reconstructed the microstructure of a Li–O2 air electrode in silico, conserving the porosity, surface-to-volume ratio, and pore size distribution of the real air electrode structure. The mechanism of rate-dependent morphology of Li2O2 growth is incorporated into the mesoscale model. The correlation between the active-surface-to-volume ratio and averaged Li2O2 concentration is derived to link different scales. The proposed approach’s accuracy is first demonstrated by comparing the predicted discharge curves of Li–O2 batteries with experimental results at the high current density. Next, the validated modeling approach effectively captures the significant improvement in discharge capacity due to the formation of Li2O2 particles. Finally, it predicts the discharge capacities of Li–O2 batteries with different air electrode microstructure designs and operating conditions.

  4. Cirrus clouds in a global climate model with a statistical cirrus cloud scheme

    SciTech Connect (OSTI)

    Wang, Minghuai; Penner, Joyce E.

    2010-06-21

    A statistical cirrus cloud scheme that accounts for mesoscale temperature perturbations is implemented in a coupled aerosol and atmospheric circulation model to better represent both subgrid-scale supersaturation and cloud formation. This new scheme treats the effects of aerosol on cloud formation and ice freezing in an improved manner, and both homogeneous freezing and heterogeneous freezing are included. The scheme is able to better simulate the observed probability distribution of relative humidity compared to the scheme that was implemented in an older version of the model. Heterogeneous ice nuclei (IN) are shown to decrease the frequency of occurrence of supersaturation, and improve the comparison with observations at 192 hPa. Homogeneous freezing alone can not reproduce observed ice crystal number concentrations at low temperatures (<205 K), but the addition of heterogeneous IN improves the comparison somewhat. Increases in heterogeneous IN affect both high level cirrus clouds and low level liquid clouds. Increases in cirrus clouds lead to a more cloudy and moist lower troposphere with less precipitation, effects which we associate with the decreased convective activity. The change in the net cloud forcing is not very sensitive to the change in ice crystal concentrations, but the change in the net radiative flux at the top of the atmosphere is still large because of changes in water vapor. Changes in the magnitude of the assumed mesoscale temperature perturbations by 25% alter the ice crystal number concentrations and the net radiative fluxes by an amount that is comparable to that from a factor of 10 change in the heterogeneous IN number concentrations. Further improvements on the representation of mesoscale temperature perturbations, heterogeneous IN and the competition between homogeneous freezing and heterogeneous freezing are needed.

  5. 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.

  6. Creating physically-based three-dimensional microstructures: Bridging phase-field and crystal plasticity models.

    SciTech Connect (OSTI)

    Lim, Hojun; Owen, Steven J.; Abdeljawad, Fadi F.; Hanks, Byron; Battaile, Corbett Chandler

    2015-09-01

    In order to better incorporate microstructures in continuum scale models, we use a novel finite element (FE) meshing technique to generate three-dimensional polycrystalline aggregates from a phase field grain growth model of grain microstructures. The proposed meshing technique creates hexahedral FE meshes that capture smooth interfaces between adjacent grains. Three dimensional realizations of grain microstructures from the phase field model are used in crystal plasticity-finite element (CP-FE) simulations of polycrystalline a -iron. We show that the interface conformal meshes significantly reduce artificial stress localizations in voxelated meshes that exhibit the so-called "wedding cake" interfaces. This framework provides a direct link between two mesoscale models - phase field and crystal plasticity - and for the first time allows mechanics simulations of polycrystalline materials using three-dimensional hexahedral finite element meshes with realistic topological features.

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

    SciTech Connect (OSTI)

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

    2013-09-01

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

  8. Precipitation and Air Pollution at Mountain and Plain Stations in Northern China: Insights Gained from Observations and Modeling

    SciTech Connect (OSTI)

    Guo, Jianping; Deng, Minjun; Fan, Jiwen; Li, Zhanqing; Chen, Qian; Zhai, Panmao; Dai, Zhijian; Li, Xiaowen

    2014-04-27

    We analyzed 40 year data sets of daily average visibility (a proxy for surface aerosol concentration) and hourly precipitation at seven weather stations, including three stations located on the Taihang Mountains, during the summertime in northern China. There was no significant trend in summertime total precipitation at almost all stations. However, light rain decreased, whereas heavy rain increased as visibility decreased over the period studied. The decrease in light rain was seen in both orographic-forced shallow clouds and mesoscale stratiform clouds. The consistent trends in observed changes in visibility, precipitation, and orographic factor appear to be a testimony to the effects of aerosols. The potential impact of large-scale environmental factors, such as precipitable water, convective available potential energy, and vertical wind shear, on precipitation was investigated. No direct links were found. To validate our observational hypothesis about aerosol effects, Weather Research and Forecasting model simulations with spectral-bin microphysics at the cloud-resolving scale were conducted. Model results confirmed the role of aerosol indirect effects in reducing the light rain amount and frequency in the mountainous area for both orographic-forced shallow clouds and mesoscale stratiform clouds and in eliciting a different response in the neighboring plains. The opposite response of light rain to the increase in pollution when there is no terrain included in the model suggests that orography is likely a significant factor contributing to the opposite trends in light rain seen in mountainous and plain areas.

  9. Comparison of mean properties of simulated convection in a cloud-resolving model with those produced by cumulus parameterization

    SciTech Connect (OSTI)

    Dudhia, J.; Parsons, D.B.

    1996-04-01

    An Intensive Observation Period (IOP) of the Atmospheric Radiation Measurement (ARM) Program took place at the Southern Great Plains (SGP) Cloud and Radiation Testbed (CART) site from June 16-26, 1993. The National Center for Atmospheric Research (NCAR)/Penn State Mesoscale Model (MM5) has been used to simulate this period on a 60-km domain with 20- and 6.67-km nests centered on Lamont, Oklahoma. Simulations are being run with data assimilation by the nudging technique to incorporate upper-air and surface data from a variety of platforms. The model maintains dynamical consistency between the fields, while the data correct for model biases that may occur during long-term simulations and provide boundary conditions. For the work reported here the Mesoscale Atmospheric Prediction System (MAPS) of the National Ocean and Atmospheric Administration (NOAA) 3-hourly analyses were used to drive the 60-km domain while the inner domains were unforced. A continuous 10-day period was simulated.

  10. Transitions to improved confinement regimes induced by changes in heating in zero-dimensional models for tokamak plasmas

    SciTech Connect (OSTI)

    Zhu, H.; Chapman, S. C.; Dendy, R. O.; Itoh, K.

    2014-06-15

    It is shown that rapid substantial changes in heating rate can induce transitions to improved energy confinement regimes in zero-dimensional models for tokamak plasma phenomenology. We examine for the first time the effect of step changes in heating rate in the models of Kim and Diamond [Phys. Rev. Lett. 90, 185006 (2003)] and Malkov and Diamond [Phys. Plasmas 16, 012504 (2009)], which nonlinearly couple the evolving temperature gradient, micro-turbulence, and a mesoscale flow; and in the extension of Zhu et al. [Phys. Plasmas 20, 042302 (2013)], which couples to a second mesoscale flow component. The temperature gradient rises, as does the confinement time defined by analogy with the fusion context, while micro-turbulence is suppressed. This outcome is robust against variation of heating rise time and against introduction of an additional variable into the model. It is also demonstrated that oscillating changes in heating rate can drive the level of micro-turbulence through a period-doubling path to chaos, where the amplitude of the oscillatory component of the heating rate is the control parameter.

  11. Warm Bias and Parameterization of Boundary Upwelling in Ocean Models

    SciTech Connect (OSTI)

    Cessi, Paola; Wolfe, Christopher

    2012-11-06

    It has been demonstrated that Eastern Boundary Currents (EBC) are a baroclinic intensification of the interior circulation of the ocean due to the emergence of mesoscale eddies in response to the sharp buoyancy gradients driven by the wind-stress and the thermal surface forcing. The eddies accomplish the heat and salt transport necessary to insure that the subsurface flow is adiabatic, compensating for the heat and salt transport effected by the mean currents. The EBC thus generated occurs on a cross-shore scale of order 20-100 km, and thus this scale needs to be resolved in climate models in order to capture the meridional transport by the EBC. Our result indicate that changes in the near shore currents on the oceanic eastern boundaries are linked not just to local forcing, such as coastal changes in the winds, but depend on the basin-wide circulation as well.

  12. HIGH-RESOLUTION ATMOSPHERIC ENSEMBLE MODELING AT SRNL

    SciTech Connect (OSTI)

    Buckley, R.; Werth, D.; Chiswell, S.; Etherton, B.

    2011-05-10

    The High-Resolution Mid-Atlantic Forecasting Ensemble (HME) is a federated effort to improve operational forecasts related to precipitation, convection and boundary layer evolution, and fire weather utilizing data and computing resources from a diverse group of cooperating institutions in order to create a mesoscale ensemble from independent members. Collaborating organizations involved in the project include universities, National Weather Service offices, and national laboratories, including the Savannah River National Laboratory (SRNL). The ensemble system is produced from an overlapping numerical weather prediction model domain and parameter subsets provided by each contributing member. The coordination, synthesis, and dissemination of the ensemble information are performed by the Renaissance Computing Institute (RENCI) at the University of North Carolina-Chapel Hill. This paper discusses background related to the HME effort, SRNL participation, and example results available from the RENCI website.

  13. Analysis of Cloud-resolving Simulations of a Tropical Mesoscale Convective System Observed during TWP-ICE: Vertical Fluxes and Draft Properties in Convective and Stratiform Regions

    SciTech Connect (OSTI)

    Mrowiec, Agnieszka A.; Rio, Catherine; Fridlind, Ann; Ackerman, Andrew; Del Genio, Anthony D.; Pauluis, Olivier; Varble, Adam; Fan, Jiwen

    2012-10-02

    We analyze three cloud-resolving model simulations of a strong convective event observed during the TWP-ICE campaign, differing in dynamical core, microphysical scheme or both. Based on simulated and observed radar reflectivity, simulations roughly reproduce observed convective and stratiform precipitating areas. To identify the characteristics of convective and stratiform drafts that are difficult to observe but relevant to climate model parameterization, independent vertical wind speed thresholds are calculated to capture 90% of total convective and stratiform updraft and downdraft mass fluxes. Convective updrafts are fairly consistent across simulations (likely owing to fixed large-scale forcings and surface conditions), except that hydrometeor loadings differ substantially. Convective downdraft and stratiform updraft and downdraft mass fluxes vary notably below the melting level, but share similar vertically uniform draft velocities despite differing hydrometeor loadings. All identified convective and stratiform downdrafts contain precipitation below ~10 km and nearly all updrafts are cloudy above the melting level. Cold pool properties diverge substantially in a manner that is consistent with convective downdraft mass flux differences below the melting level. Despite differences in hydrometeor loadings and cold pool properties, convective updraft and downdraft mass fluxes are linearly correlated with convective area, the ratio of ice in downdrafts to that in updrafts is ~0.5 independent of species, and the ratio of downdraft to updraft mass flux is ~0.5-0.6, which may represent a minimum evaporation efficiency under moist conditions. Hydrometeor loading in stratiform regions is found to be a fraction of hydrometeor loading in convective regions that ranges from ~10% (graupel) to ~90% (cloud ice). These findings may lead to improved convection parameterizations.

  14. Modeling the summertime Arctic cloudy boundary layer

    SciTech Connect (OSTI)

    Curry, J.A.; Pinto, J.O.; McInnes, K.L.

    1996-04-01

    Global climate models have particular difficulty in simulating the low-level clouds during the Arctic summer. Model problems are exacerbated in the polar regions by the complicated vertical structure of the Arctic boundary layer. The presence of multiple cloud layers, a humidity inversion above cloud top, and vertical fluxes in the cloud that are decoupled from the surface fluxes, identified in Curry et al. (1988), suggest that models containing sophisticated physical parameterizations would be required to accurately model this region. Accurate modeling of the vertical structure of multiple cloud layers in climate models is important for determination of the surface radiative fluxes. This study focuses on the problem of modeling the layered structure of the Arctic summertime boundary-layer clouds and in particular, the representation of the more complex boundary layer type consisting of a stable foggy surface layer surmounted by a cloud-topped mixed layer. A hierarchical modeling/diagnosis approach is used. A case study from the summertime Arctic Stratus Experiment is examined. A high-resolution, one-dimensional model of turbulence and radiation is tested against the observations and is then used in sensitivity studies to infer the optimal conditions for maintaining two separate layers in the Arctic summertime boundary layer. A three-dimensional mesoscale atmospheric model is then used to simulate the interaction of this cloud deck with the large-scale atmospheric dynamics. An assessment of the improvements needed to the parameterizations of the boundary layer, cloud microphysics, and radiation in the 3-D model is made.

  15. DISMANTLING OF THE UPPER RPV COMPONENTS OF THE KARLSRUHE MULTI-PURPOSE RESEARCH REACTOR (MZFR), GERMANY

    SciTech Connect (OSTI)

    Prechtl, E.; Suessdorf, W.

    2003-02-27

    The Multi-purpose Research Reactor was a pressurized-water reactor cooled and moderated with heavy water. It was built from 1961 to 1966 and went critical for the first time on 29 September 1965. After nineteen years of successful operation, the reactor was de-activated on 3 May 1984. The reactor had a thermal output of 200 MW and an electrical output of 50 MW. The MZFR not only served to supply electrical power, but also as a test bed for: - research into various materials for reactor building (e. g. zirkaloy), - the manufacturing and operating industry to gain experience in erection and operation, - training scientific and technical reactor staff, and - power supply (first nuclear combined-heat-and-power system, 1979-1984). The experience gained in operating the MZFR was very helpful for the development and operation of power reactors. At first, safe containment and enclosure of the plant was planned, but then it was decided to dismantle the plant completely, step by step, in view o f the clear advantages of this approach. The decommissioning concept for the complete elimination of the plant down to a green-field site provides for eight steps. A separate decommissioning license is required for each step. As part of the dismantling, about 72,000 Mg [metric tons] of concrete and 7,200 Mg of metal (400 Mg RPV) must be removed. About 700 Mg of concrete (500 Mg biological shield) and 1300 Mg of metal must be classified as radioactive waste.

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

    SciTech Connect (OSTI)

    Lai, Chung-Chieng A.

    1997-10-01

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

  17. Unraveling irradiation induced grain growth with in situ transmission electron microscopy and coordinated modeling

    SciTech Connect (OSTI)

    Bufford, D. C.; Abdeljawad, F. F.; Foiles, S. M.; Hattar, K.

    2015-11-09

    Nanostructuring has been proposed as a method to enhance radiation tolerance, but many metallic systems are rejected due to significant concerns regarding long term grain boundary and interface stability. This work utilized recent advancements in transmission electron microscopy (TEM) to quantitatively characterize the grain size, texture, and individual grain boundary character in a nanocrystalline gold model system before and after in situ TEM ion irradiation with 10 MeV Si. The initial experimental measurements were fed into a mesoscale phase field model, which incorporates the role of irradiation-induced thermal events on boundary properties, to directly compare the observed and simulated grain growth with varied parameters. The observed microstructure evolution deviated subtly from previously reported normal grain growth in which some boundaries remained essentially static. In broader terms, the combined experimental and modeling techniques presented herein provide future avenues to enhance quantification and prediction of the thermal, mechanical, or radiation stability of grain boundaries in nanostructured crystalline systems.

  18. 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.

  19. Mesoscale hybrid calibration artifact (Patent) | DOEPatents

    Office of Scientific and Technical Information (OSTI)

    Sandia Corporation (Albuquerque, NM) NNSASC Patent Number(s): 7,788,818 Application Number: US Patent Application 11866,177 Contract Number: AC04-94AL85000 Research Org: Sandia ...

  20. Technical Sessions Parameterization of Convective Clouds, Mesoscale...

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

    with jet streaks aloft. Our first attempts at simulating this case using the modified Kuo cumulus parameterization scheme developed by Tremback (1990) were not very successful,...

  1. Silicon Micromachined Dimensional Calibration Artifact for Mesoscale...

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

    When was this product first marketed or available for order? 3 Andrew D. Oliver, PhD ICX Photonics 4 Federal St Billerica, MA 01821 Phone: (978)215-0516 Fax: (978)215-0590 ...

  2. Mesoscale hybrid calibration artifact (Patent) | DOEPatents

    Office of Scientific and Technical Information (OSTI)

    The hybrid artifact has structural characteristics that make it suitable for dimensional measurement in both vision-based systems and touch-probe-based systems. The hybrid artifact ...

  3. Optically Directed Assembly of Continuous Mesoscale Filaments...

    Office of Scientific and Technical Information (OSTI)

    None USDOE United States 2011-02-01 English Journal Article Journal Name: Physical Review Letters; Journal Volume: 106; Journal Issue: 9 Medium: X OSTI ID: 1099937, Legacy ID:...

  4. Enhanced Generic Phase-field Model of Irradiation Materials: Fission Gas Bubble Growth Kinetics in Polycrystalline UO2

    SciTech Connect (OSTI)

    Li, Yulan; Hu, Shenyang Y.; Montgomery, Robert O.; Gao, Fei; Sun, Xin

    2012-05-30

    Experiments show that inter-granular and intra-granular gas bubbles have different growth kinetics which results in heterogeneous gas bubble microstructures in irradiated nuclear fuels. A science-based model predicting the heterogeneous microstructure evolution kinetics is desired, which enables one to study the effect of thermodynamic and kinetic properties of the system on gas bubble microstructure evolution kinetics and morphology, improve the understanding of the formation mechanisms of heterogeneous gas bubble microstructure, and provide the microstructure to macroscale approaches to study their impact on thermo-mechanical properties such as thermo-conductivity, gas release, volume swelling, and cracking. In our previous report 'Mesoscale Benchmark Demonstration, Problem 1: Mesoscale Simulations of Intra-granular Fission Gas Bubbles in UO2 under Post-irradiation Thermal Annealing', we developed a phase-field model to simulate the intra-granular gas bubble evolution in a single crystal during post-irradiation thermal annealing. In this work, we enhanced the model by incorporating thermodynamic and kinetic properties at grain boundaries, which can be obtained from atomistic simulations, to simulate fission gas bubble growth kinetics in polycrystalline UO2 fuels. The model takes into account of gas atom and vacancy diffusion, vacancy trapping and emission at defects, gas atom absorption and resolution at gas bubbles, internal pressure in gas bubbles, elastic interaction between defects and gas bubbles, and the difference of thermodynamic and kinetic properties in matrix and grain boundaries. We applied the model to simulate gas atom segregation at grain boundaries and the effect of interfacial energy and gas mobility on gas bubble morphology and growth kinetics in a bi-crystal UO2 during post-irradiation thermal annealing. The preliminary results demonstrate that the model can produce the equilibrium thermodynamic properties and the morphology of gas bubbles at

  5. Verification of sub-grid filtered drag models for gas-particle fluidized beds with immersed cylinder arrays

    SciTech Connect (OSTI)

    Sarkar, Avik; Sun, Xin; Sundaresan, Sankaran

    2014-04-23

    The accuracy of coarse-grid multiphase CFD simulations of fluidized beds may be improved via the inclusion of filtered constitutive models. In our previous study (Sarkar et al., Chem. Eng. Sci., 104, 399-412), we developed such a set of filtered drag relationships for beds with immersed arrays of cooling tubes. Verification of these filtered drag models is addressed in this work. Predictions from coarse-grid simulations with the sub-grid filtered corrections are compared against accurate, highly-resolved simulations of full-scale turbulent and bubbling fluidized beds. The filtered drag models offer a computationally efficient yet accurate alternative for obtaining macroscopic predictions, but the spatial resolution of meso-scale clustering heterogeneities is sacrificed.

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

    SciTech Connect (OSTI)

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

    1995-09-01

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

  7. Thermo-mechanical Modelling of Pebble Beds in Fusion Blankets and its Implementation by a Return-Mapping Algorithm

    SciTech Connect (OSTI)

    Gan, Yixiang; Kamlah, Marc

    2008-07-01

    In this investigation, a thermo-mechanical model of pebble beds is adopted and developed based on experiments by Dr. Reimann at Forschungszentrum Karlsruhe (FZK). The framework of the present material model is composed of a non-linear elastic law, the Drucker-Prager-Cap theory, and a modified creep law. Furthermore, the volumetric inelastic strain dependent thermal conductivity of beryllium pebble beds is taken into account and full thermo-mechanical coupling is considered. Investigation showed that the Drucker-Prager-Cap model implemented in ABAQUS can not fulfill the requirements of both the prediction of large creep strains and the hardening behaviour caused by creep, which are of importance with respect to the application of pebble beds in fusion blankets. Therefore, UMAT (user defined material's mechanical behaviour) and UMATHT (user defined material's thermal behaviour) routines are used to re-implement the present thermo-mechanical model in ABAQUS. An elastic predictor radial return mapping algorithm is used to solve the non-associated plasticity iteratively, and a proper tangent stiffness matrix is obtained for cost-efficiency in the calculation. An explicit creep mechanism is adopted for the prediction of time-dependent behaviour in order to represent large creep strains in high temperature. Finally, the thermo-mechanical interactions are implemented in a UMATHT routine for the coupled analysis. The oedometric compression tests and creep tests of pebble beds at different temperatures are simulated with the help of the present UMAT and UMATHT routines, and the comparison between the simulation and the experiments is made. (authors)

  8. Modeling & Analysis

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

    Facilities, Modeling, Modeling, Modeling & Analysis, Modeling & Analysis, Renewable Energy, Research & Capabilities, Wind Energy, Wind News Virtual LIDAR Model Helps Researchers ...

  9. Development of an Immersed Boundary Method to Resolve Complex Terrain in the Weather Research and Forecasting Model

    SciTech Connect (OSTI)

    Lunquist, K A; Chow, F K; Lundquist, J K; Mirocha, J D

    2007-09-04

    Flow and dispersion processes in urban areas are profoundly influenced by the presence of buildings which divert mean flow, affect surface heating and cooling, and alter the structure of turbulence in the lower atmosphere. Accurate prediction of velocity, temperature, and turbulent kinetic energy fields are necessary for determining the transport and dispersion of scalars. Correct predictions of scalar concentrations are vital in densely populated urban areas where they are used to aid in emergency response planning for accidental or intentional releases of hazardous substances. Traditionally, urban flow simulations have been performed by computational fluid dynamics (CFD) codes which can accommodate the geometric complexity inherent to urban landscapes. In these types of models the grid is aligned with the solid boundaries, and the boundary conditions are applied to the computational nodes coincident with the surface. If the CFD code uses a structured curvilinear mesh, then time-consuming manual manipulation is needed to ensure that the mesh conforms to the solid boundaries while minimizing skewness. If the CFD code uses an unstructured grid, then the solver cannot be optimized for the underlying data structure which takes an irregular form. Unstructured solvers are therefore often slower and more memory intensive than their structured counterparts. Additionally, urban-scale CFD models are often forced at lateral boundaries with idealized flow, neglecting dynamic forcing due to synoptic scale weather patterns. These CFD codes solve the incompressible Navier-Stokes equations and include limited options for representing atmospheric processes such as surface fluxes and moisture. Traditional CFD codes therefore posses several drawbacks, due to the expense of either creating the grid or solving the resulting algebraic system of equations, and due to the idealized boundary conditions and the lack of full atmospheric physics. Meso-scale atmospheric boundary layer

  10. Review of Wind Energy Forecasting Methods for Modeling Ramping Events

    SciTech Connect (OSTI)

    Wharton, S; Lundquist, J K; Marjanovic, N; Williams, J L; Rhodes, M; Chow, T K; Maxwell, R

    2011-03-28

    Tall onshore wind turbines, with hub heights between 80 m and 100 m, can extract large amounts of energy from the atmosphere since they generally encounter higher wind speeds, but they face challenges given the complexity of boundary layer flows. This complexity of the lowest layers of the atmosphere, where wind turbines reside, has made conventional modeling efforts less than ideal. To meet the nation's goal of increasing wind power into the U.S. electrical grid, the accuracy of wind power forecasts must be improved. In this report, the Lawrence Livermore National Laboratory, in collaboration with the University of Colorado at Boulder, University of California at Berkeley, and Colorado School of Mines, evaluates innovative approaches to forecasting sudden changes in wind speed or 'ramping events' at an onshore, multimegawatt wind farm. The forecast simulations are compared to observations of wind speed and direction from tall meteorological towers and a remote-sensing Sound Detection and Ranging (SODAR) instrument. Ramping events, i.e., sudden increases or decreases in wind speed and hence, power generated by a turbine, are especially problematic for wind farm operators. Sudden changes in wind speed or direction can lead to large power generation differences across a wind farm and are very difficult to predict with current forecasting tools. Here, we quantify the ability of three models, mesoscale WRF, WRF-LES, and PF.WRF, which vary in sophistication and required user expertise, to predict three ramping events at a North American wind farm.

  11. Linking Network Microstructure to Macroscopic Properties of Siloxane

    Office of Scientific and Technical Information (OSTI)

    Elastomers Using Combined Nuclear Magnetic Resonance and Mesoscale Computational Modeling (Journal Article) | SciTech Connect Journal Article: Linking Network Microstructure to Macroscopic Properties of Siloxane Elastomers Using Combined Nuclear Magnetic Resonance and Mesoscale Computational Modeling Citation Details In-Document Search Title: Linking Network Microstructure to Macroscopic Properties of Siloxane Elastomers Using Combined Nuclear Magnetic Resonance and Mesoscale Computational

  12. Evaluation of Cloud-resolving and Limited Area Model Intercomparison Simulations using TWP-ICE Observations. Part 2: Rain Microphysics

    SciTech Connect (OSTI)

    Varble, Adam; Zipser, Edward J.; Fridlind, Ann; Zhu, Ping; Ackerman, Andrew; Chaboureau, Jean-Pierre; Fan, Jiwen; Hill, Adrian; Shipway, Ben; Williams, Christopher R.

    2014-12-27

    Ten 3D cloud-resolving model (CRM) simulations and four 3D limited area model (LAM) simulations of an intense mesoscale convective system observed on January 23-24, 2006 during the Tropical Warm Pool International Cloud Experiment (TWP-ICE) are compared with each other and with observations and retrievals from a scanning polarimetric radar, co-located UHF and VHF vertical profilers, and a Joss-Waldvogel disdrometer in an attempt to explain published results showing a low bias in simulated stratiform rainfall. Despite different forcing methodologies, similar precipitation microphysics errors appear in CRMs and LAMs with differences that depend on the details of the bulk microphysics scheme used. One-moment schemes produce too many small raindrops, which biases Doppler velocities low, but produces rain water contents (RWCs) that are similar to observed. Two-moment rain schemes with a gamma shape parameter (?) of 0 produce excessive size sorting, which leads to larger Doppler velocities than those produced in one-moment schemes, but lower RWCs than observed. Two moment schemes also produce a convective median volume diameter distribution that is too broad relative to observations and thus, may have issues balancing raindrop formation, collision coalescence, and raindrop breakup. Assuming a ? of 2.5 rather than 0 for the raindrop size distribution improves one-moment scheme biases, and allowing ? to have values greater than 0 may improve two-moment schemes. Under-predicted stratiform rain rates are associated with under-predicted ice water contents at the melting level rather than excessive rain evaporation, in turn likely associated with convective detrainment that is too high in the troposphere and mesoscale circulations that are too weak. In addition to stronger convective updrafts than observed, limited domain size prevents a large, well-developed stratiform region from developing in CRMs, while a dry bias in ECMWF analyses does the same to the LAMs.

  13. Preliminary Phase Field Computational Model Development

    SciTech Connect (OSTI)

    Li, Yulan; Hu, Shenyang Y.; Xu, Ke; Suter, Jonathan D.; McCloy, John S.; Johnson, Bradley R.; Ramuhalli, Pradeep

    2014-12-15

    This interim report presents progress towards the development of meso-scale models of magnetic behavior that incorporate microstructural information. Modeling magnetic signatures in irradiated materials with complex microstructures (such as structural steels) is a significant challenge. The complexity is addressed incrementally, using the monocrystalline Fe (i.e., ferrite) film as model systems to develop and validate initial models, followed by polycrystalline Fe films, and by more complicated and representative alloys. In addition, the modeling incrementally addresses inclusion of other major phases (e.g., martensite, austenite), minor magnetic phases (e.g., carbides, FeCr precipitates), and minor nonmagnetic phases (e.g., Cu precipitates, voids). The focus of the magnetic modeling is on phase-field models. The models are based on the numerical solution to the Landau-Lifshitz-Gilbert equation. From the computational standpoint, phase-field modeling allows the simulation of large enough systems that relevant defect structures and their effects on functional properties like magnetism can be simulated. To date, two phase-field models have been generated in support of this work. First, a bulk iron model with periodic boundary conditions was generated as a proof-of-concept to investigate major loop effects of single versus polycrystalline bulk iron and effects of single non-magnetic defects. More recently, to support the experimental program herein using iron thin films, a new model was generated that uses finite boundary conditions representing surfaces and edges. This model has provided key insights into the domain structures observed in magnetic force microscopy (MFM) measurements. Simulation results for single crystal thin-film iron indicate the feasibility of the model for determining magnetic domain wall thickness and mobility in an externally applied field. Because the phase-field model dimensions are limited relative to the size of most specimens used in

  14. A Multiscale Modeling Approach to Analyze Filament-Wound Composite Pressure Vessels

    SciTech Connect (OSTI)

    Nguyen, Ba Nghiep; Simmons, Kevin L.

    2013-07-22

    A multiscale modeling approach to analyze filament-wound composite pressure vessels is developed in this article. The approach, which extends the Nguyen et al. model [J. Comp. Mater. 43 (2009) 217] developed for discontinuous fiber composites to continuous fiber ones, spans three modeling scales. The microscale considers the unidirectional elastic fibers embedded in an elastic-plastic matrix obeying the Ramberg-Osgood relation and J2 deformation theory of plasticity. The mesoscale behavior representing the composite lamina is obtained through an incremental Mori-Tanaka type model and the Eshelby equivalent inclusion method [Proc. Roy. Soc. Lond. A241 (1957) 376]. The implementation of the micro-meso constitutive relations in the ABAQUS finite element package (via user subroutines) allows the analysis of a filament-wound composite pressure vessel (macroscale) to be performed. Failure of the composite lamina is predicted by a criterion that accounts for the strengths of the fibers and of the matrix as well as of their interface. The developed approach is demonstrated in the analysis of a filament-wound pressure vessel to study the effect of the lamina thickness on the burst pressure. The predictions are favorably compared to the numerical and experimental results by Lifshitz and Dayan [Comp. Struct. 32 (1995) 313].

  15. 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

    testing at the intermediate meso-scale, testing of new monitoring concepts, and modeling of dynamic systems. The emphasis on meso-scale (coupled) tests, accelerated effects testing, and dynamic modeling differentiates the project from other efforts, while simultaneously building on that body of knowledge. The performance of evapotranspiration, capillary, and grout-based barriers is being examined. To date, the project can report new approaches to the problem, building new experimental and modeling capabilities, and a few preliminary results.

  16. 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

    aging testing at the intermediate meso-scale, testing of new monitoring concepts, and modeling of dynamic systems. The emphasis on meso-scale (coupled) tests, accelerated effects testing, and dynamic modeling differentiates the project from other efforts, while simultaneously building on that body of knowledge. The performance of evapotranspiration, capillary, and grout-based barriers is being examined. To date, the project can report new approaches to the problem, building new experimental and modeling capabilities, and a few preliminary results.

  17. Draft of M2 Report on Integration of the Hybrid Hydride Model into INL's MBM Framework for Review

    SciTech Connect (OSTI)

    Tikare, Veena; Weck, Philippe F.; Schultz, Peter A.; Clark, Blythe; Glazoff, Michael; Homer, Eric

    2014-07-01

    This report documents the development, demonstration and validation of a mesoscale, microstructural evolution model for simulation of zirconium hydride {delta}-ZrH{sub 1.5} precipitation in the cladding of used nuclear fuels that may occur during long-term dry storage. While the Zr-based claddings are manufactured free of any hydrogen, they absorb hydrogen during service, in the reactor by a process commonly termed ‘hydrogen pick-up’. The precipitation and growth of zirconium hydrides during dry storage is one of the most likely fuel rod integrity failure mechanisms either by embrittlement or delayed hydride cracking of the cladding. While the phenomenon is well documented and identified as a potential key failure mechanism during long-term dry storage (NUREG/CR-7116), the ability to actually predict the formation of hydrides is poor. The model being documented in this work is a computational capability for the prediction of hydride formation in different claddings of used nuclear fuels. This work supports the Used Fuel Disposition Research and Development Campaign in assessing the structural engineering performance of the cladding during and after long-term dry storage. This document demonstrates a basic hydride precipitation model that is built on a recently developed hybrid Potts-phase field model that combines elements of Potts-Monte Carlo and the phase-field models. The model capabilities are demonstrated along with the incorporation of the starting microstructure, thermodynamics of the Zr-H system and the hydride formation mechanism.

  18. Thermal modeling of head disk interface system in heat assisted magnetic recording

    SciTech Connect (OSTI)

    Vemuri, Sesha Hari; Seung Chung, Pil; Jhon, Myung S., E-mail: mj3a@andrew.cmu.edu [Department of Chemical Engineering and Data Storage Systems Center, Carnegie Mellon University, 5000 Forbes Ave., Pittsburgh, Pennsylvania 15213 (United States); Min Kim, Hyung [Department of Mechanical System Engineering, Kyonggi University, Suwon, Gyeonggi-do 440-746 (Korea, Republic of)

    2014-05-07

    A thorough understanding of the temperature profiles introduced by the heat assisted magnetic recording is required to maintain the hotspot at the desired location on the disk with minimal heat damage to other components. Here, we implement a transient mesoscale modeling methodology termed lattice Boltzmann method (LBM) for phonons (which are primary carriers of energy) in the thermal modeling of the head disk interface (HDI) components, namely, carbon overcoat (COC). The LBM can provide more accurate results compared to conventional Fourier methodology by capturing the nanoscale phenomena due to ballistic heat transfer. We examine the in-plane and out-of-plane heat transfer in the COC via analyzing the temperature profiles with a continuously focused and pulsed laser beam on a moving disk. Larger in-plane hotspot widening is observed in continuously focused laser beam compared to a pulsed laser. A pulsed laser surface develops steeper temperature gradients compared to continuous hotspot. Furthermore, out-of-plane heat transfer from the COC to the media is enhanced with a continuous laser beam then a pulsed laser, while the temperature takes around 140 fs to reach the bottom surface of the COC. Our study can lead to a realistic thermal model describing novel HDI material design criteria for the next generation of hard disk drives with ultra high recording densities.

  19. Multiscale modeling of thermal conductivity of high burnup structures in UO2 fuels

    SciTech Connect (OSTI)

    Bai, Xian -Ming; Tonks, Michael R.; Zhang, Yongfeng; Hales, Jason D.

    2015-12-22

    The high burnup structure forming at the rim region in UO2 based nuclear fuel pellets has interesting physical properties such as improved thermal conductivity, even though it contains a high density of grain boundaries and micron-size gas bubbles. To understand this counterintuitive phenomenon, mesoscale heat conduction simulations with inputs from atomistic simulations and experiments were conducted to study the thermal conductivities of a small-grain high burnup microstructure and two large-grain unrestructured microstructures. We concluded that the phonon scattering effects caused by small point defects such as dispersed Xe atoms in the grain interior must be included in order to correctly predict the thermal transport properties of these microstructures. In extreme cases, even a small concentration of dispersed Xe atoms such as 10-5 can result in a lower thermal conductivity in the large-grain unrestructured microstructures than in the small-grain high burnup structure. The high-density grain boundaries in a high burnup structure act as defect sinks and can reduce the concentration of point defects in its grain interior and improve its thermal conductivity in comparison with its large-grain counterparts. Furthermore, an analytical model was developed to describe the thermal conductivity at different concentrations of dispersed Xe, bubble porosities, and grain sizes. Upon calibration, the model is robust and agrees well with independent heat conduction modeling over a wide range of microstructural parameters.

  20. Multiscale modeling of thermal conductivity of high burnup structures in UO2 fuels

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

    Bai, Xian -Ming; Tonks, Michael R.; Zhang, Yongfeng; Hales, Jason D.

    2015-12-22

    The high burnup structure forming at the rim region in UO2 based nuclear fuel pellets has interesting physical properties such as improved thermal conductivity, even though it contains a high density of grain boundaries and micron-size gas bubbles. To understand this counterintuitive phenomenon, mesoscale heat conduction simulations with inputs from atomistic simulations and experiments were conducted to study the thermal conductivities of a small-grain high burnup microstructure and two large-grain unrestructured microstructures. We concluded that the phonon scattering effects caused by small point defects such as dispersed Xe atoms in the grain interior must be included in order to correctlymore » predict the thermal transport properties of these microstructures. In extreme cases, even a small concentration of dispersed Xe atoms such as 10-5 can result in a lower thermal conductivity in the large-grain unrestructured microstructures than in the small-grain high burnup structure. The high-density grain boundaries in a high burnup structure act as defect sinks and can reduce the concentration of point defects in its grain interior and improve its thermal conductivity in comparison with its large-grain counterparts. Furthermore, an analytical model was developed to describe the thermal conductivity at different concentrations of dispersed Xe, bubble porosities, and grain sizes. Upon calibration, the model is robust and agrees well with independent heat conduction modeling over a wide range of microstructural parameters.« less

  1. Systems Modeling

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

    ... International Strategy for Water and Land Resources in Iraq Model US-Canada Algae Biofuel ... Generation Cost Simulation Model Iraq Water-Energy-Food Model The USMexico ...

  2. "Title","Creator/Author","Publication Date","OSTI Identifier...

    Office of Scientific and Technical Information (OSTI)

    GEOSCIENCES climate, numerical modeling, earth system model, ocean, sea-ice, mesoscale eddies",,"The over-arching goal of this project was to contribute to the realization...

  3. Pyrocumulus Collapse. Unpredicted Wildfire Dangers

    SciTech Connect (OSTI)

    Kim, Young-Joon; Linn, Rodman

    2015-12-07

    We validate our proposed mechanisms with the aid of numerical simulations using a mesoscale atmospheric model and LANL's local-scale dispersion model.

  4. ARM - Publications: Science Team Meeting Documents: Sensitivities...

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

    CSU Multiscale-Modeling Framework (MMF) based on the NCAR Community Atmopshere Model (CAM). While individual deep clouds and meso-scale cloud systems are explicitly resolved by...

  5. Modeling & Analysis

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

    News & Events, Renewable Energy, Research & Capabilities, Systems Analysis, Water Power Wave-Energy-Device Modeling: Developing A 1:17 Scaled Model Many theoretical studies show ...

  6. Modeling regional/urban ozone and particulate matter in Beijing, China.

    SciTech Connect (OSTI)

    Fu, J.S.; Streets, D.G.; Jang, C.J.; Hao, J.; He, K.; Wang, L.; Zhang, Q.

    2009-01-15

    This paper examines Beijing air quality in the winter and summer of 2001 using an integrated air quality modeling system (Fifth Generation Mesoscale Meteorological Model (MM5)/Community Multiscale Air Quality (CMAQ)) in nested mode. The National Aeronautics and Space Administration (NASA) Transport and Chemical Evolution over the Pacific (TRACE-P) emission inventory is used in the 36- (East Asia), 12- (East China), and 4-km (greater Beijing area) domains. Furthermore, we develop a local Beijing emission inventory that is used in the 4-km domain. We also construct a corroborated mapping of chemical species between the TRACE-P inventory and the Carbon Bond IV (CB-IV) chemical mechanism before the integrated modeling system is applied to study ozone (O{sub 3}) and particulate matter (PM) in Beijing. Meteorological data for the integrated modeling runs are extracted from MM5. Model results show O{sub 3} hourly concentrations in the range of 80-159 parts per billion (ppb) during summer in the urban areas and up to 189 ppb downwind of the city. High fine PM (PM2.5) concentrations (monthly average of 75 {mu}g.m{sup -3} in summer and 150 {mu}g.m{sup -3} in winter) are simulated over the metropolitan and down-wind areas with significant secondary constituents. Major sources of particulates were biomass burning, coal combustion and industry. A comparison against available O{sub 3} and PM measurement data in Beijing is described. We recommend refinements to the developed local Beijing emission inventory to improve the simulation of Beijing's air quality. The 4-km modeling configuration is also recommended for the development of air pollution control strategies. 31 refs., 5 figs., 3 tabs.

  7. THETRIS: A MICRO-SCALE TEMPERATURE AND GAS RELEASE MODEL FOR TRISO FUEL

    SciTech Connect (OSTI)

    J. Ortensi; A.M. Ougouag

    2011-12-01

    The dominating mechanism in the passive safety of gas-cooled, graphite-moderated, high-temperature reactors (HTRs) is the Doppler feedback effect. These reactor designs are fueled with sub-millimeter sized kernels formed into TRISO particles that are imbedded in a graphite matrix. The best spatial and temporal representation of the feedback effect is obtained from an accurate approximation of the fuel temperature. Most accident scenarios in HTRs are characterized by large time constants and slow changes in the fuel and moderator temperature fields. In these situations a meso-scale, pebble and compact scale, solution provides a good approximation of the fuel temperature. Micro-scale models are necessary in order to obtain accurate predictions in faster transients or when parameters internal to the TRISO are needed. Since these coated particles constitute one of the fundamental design barriers for the release of fission products, it becomes important to understand the transient behavior inside this containment system. An explicit TRISO fuel temperature model named THETRIS has been developed and incorporated into the CYNOD-THERMIX-KONVEK suite of coupled codes. The code includes gas release models that provide a simple predictive capability of the internal pressure during transients. The new model yields similar results to those obtained with other micro-scale fuel models, but with the added capability to analyze gas release, internal pressure buildup, and effects of a gap in the TRISO. The analyses show the instances when the micro-scale models improve the predictions of the fuel temperature and Doppler feedback. In addition, a sensitivity study of the potential effects on the transient behavior of high-temperature reactors due to the presence of a gap is included. Although the formation of a gap occurs under special conditions, its consequences on the dynamic behavior of the reactor can cause unexpected responses during fast transients. Nevertheless, the strong

  8. Prognostic residual mean flow in an ocean general circulation model and its relation to prognostic Eulerian mean flow

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

    Saenz, Juan A.; Chen, Qingshan; Ringler, Todd

    2015-05-19

    Recent work has shown that taking the thickness-weighted average (TWA) of the Boussinesq equations in buoyancy coordinates results in exact equations governing the prognostic residual mean flow where eddy–mean flow interactions appear in the horizontal momentum equations as the divergence of the Eliassen–Palm flux tensor (EPFT). It has been proposed that, given the mathematical tractability of the TWA equations, the physical interpretation of the EPFT, and its relation to potential vorticity fluxes, the TWA is an appropriate framework for modeling ocean circulation with parameterized eddies. The authors test the feasibility of this proposition and investigate the connections between the TWAmore » framework and the conventional framework used in models, where Eulerian mean flow prognostic variables are solved for. Using the TWA framework as a starting point, this study explores the well-known connections between vertical transfer of horizontal momentum by eddy form drag and eddy overturning by the bolus velocity, used by Greatbatch and Lamb and Gent and McWilliams to parameterize eddies. After implementing the TWA framework in an ocean general circulation model, we verify our analysis by comparing the flows in an idealized Southern Ocean configuration simulated using the TWA and conventional frameworks with the same mesoscale eddy parameterization.« less

  9. Prognostic residual mean flow in an ocean general circulation model and its relation to prognostic Eulerian mean flow

    SciTech Connect (OSTI)

    Saenz, Juan A.; Chen, Qingshan; Ringler, Todd

    2015-05-19

    Recent work has shown that taking the thickness-weighted average (TWA) of the Boussinesq equations in buoyancy coordinates results in exact equations governing the prognostic residual mean flow where eddy–mean flow interactions appear in the horizontal momentum equations as the divergence of the Eliassen–Palm flux tensor (EPFT). It has been proposed that, given the mathematical tractability of the TWA equations, the physical interpretation of the EPFT, and its relation to potential vorticity fluxes, the TWA is an appropriate framework for modeling ocean circulation with parameterized eddies. The authors test the feasibility of this proposition and investigate the connections between the TWA framework and the conventional framework used in models, where Eulerian mean flow prognostic variables are solved for. Using the TWA framework as a starting point, this study explores the well-known connections between vertical transfer of horizontal momentum by eddy form drag and eddy overturning by the bolus velocity, used by Greatbatch and Lamb and Gent and McWilliams to parameterize eddies. After implementing the TWA framework in an ocean general circulation model, we verify our analysis by comparing the flows in an idealized Southern Ocean configuration simulated using the TWA and conventional frameworks with the same mesoscale eddy parameterization.

  10. GASFLOW: A Computational Fluid Dynamics Code for Gases, Aerosols, and Combustion, Volume 1: Theory and Computational Model

    SciTech Connect (OSTI)

    Nichols, B.D.; Mueller, C.; Necker, G.A.; Travis, J.R.; Spore, J.W.; Lam, K.L.; Royl, P.; Redlinger, R.; Wilson, T.L.

    1998-10-01

    Los Alamos National Laboratory (LANL) and Forschungszentrum Karlsruhe (FzK) are developing GASFLOW, a three-dimensional (3D) fluid dynamics field code as a best-estimate tool to characterize local phenomena within a flow field. Examples of 3D phenomena include circulation patterns; flow stratification; hydrogen distribution mixing and stratification; combustion and flame propagation; effects of noncondensable gas distribution on local condensation and evaporation; and aerosol entrainment, transport, and deposition. An analysis with GASFLOW will result in a prediction of the gas composition and discrete particle distribution in space and time throughout the facility and the resulting pressure and temperature loadings on the walls and internal structures with or without combustion. A major application of GASFLOW is for predicting the transport, mixing, and combustion of hydrogen and other gases in nuclear reactor containments and other facilities. It has been applied to situations involving transporting and distributing combustible gas mixtures. It has been used to study gas dynamic behavior (1) in low-speed, buoyancy-driven flows, as well as sonic flows or diffusion dominated flows; and (2) during chemically reacting flows, including deflagrations. The effects of controlling such mixtures by safety systems can be analyzed. The code version described in this manual is designated GASFLOW 2.1, which combines previous versions of the United States Nuclear Regulatory Commission code HMS (for Hydrogen Mixing Studies) and the Department of Energy and FzK versions of GASFLOW. The code was written in standard Fortran 90. This manual comprises three volumes. Volume I describes the governing physical equations and computational model. Volume II describes how to use the code to set up a model geometry, specify gas species and material properties, define initial and boundary conditions, and specify different outputs, especially graphical displays. Sample problems are included

  11. Lifecycle Model

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    1997-05-21

    This chapter describes the lifecycle model used for the Departmental software engineering methodology.

  12. Mesoscale Simulations of Particulate Flows with Parallel Distributed...

    Office of Scientific and Technical Information (OSTI)

    ... Resource Type: Conference Resource Relation: Conference: Presented at: ICMF 2010, Tampa, FL, United States, May 30 - Jun 04, 2010 Research Org: Lawrence Livermore National ...

  13. Meso-scale controlled motion for a microfluidic drop ejector...

    Office of Scientific and Technical Information (OSTI)

    A paper copy of this document is also available for sale to the public from the National Technical Information Service, Springfield, VA at www.ntis.gov. The objective of this LDRD ...

  14. Mesoscale simulations of particulate flows with parallel distributed...

    Office of Scientific and Technical Information (OSTI)

    Close Cite: Bibtex Format Close 0 pages in this document matching the terms "" Search For Terms: Enter terms in the toolbar above to search the full text of this document for ...

  15. MESOSCALE BIOTRANSFORMATIONS OF URANIUM IN SEDIMENTS AND SOILS...

    Office of Scientific and Technical Information (OSTI)

    2 can occur even under reducing (methanogenic) conditions sustained by continuous infusion of lactate. The biogeochemical processes underlying this finding need to be...

  16. Resolving transitions in the mesoscale domain configuration in...

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Search Results Journal Article: Resolving ... Citation Details In-Document Search Title: Resolving ... Resource Relation: Journal Name: Scientific Reports; Journal ...

  17. Unusual lithiation and fracture behavior of silicon mesoscale...

    Office of Scientific and Technical Information (OSTI)

    (LLNL), Livermore, CA Sponsoring Org: USDOE Country of Publication: United States Language: English Subject: 30 DIRECT ENERGY CONVERSION; 36 MATERIALS SCIENCE; 75 CONDENSED MATTER

  18. Reactive MD Simulations of Electrochemical Oxide Interfaces at Mesoscale |

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

    Argonne Leadership Computing Facility molecular dynamics demonstrating the sintering mechanism under the influence of e-field Large-scale reactive molecular dynamics demonstrating the sintering mechanism under the influence of e-field. Tailoring the properties of nanoscale oxide-based technologies such as chemical activity, efficiency, durability, and reliability requires a better understanding of the nanoscale oxide growth kinetics under various oxidation conditions, the resulting film

  19. Reactive MD Simulations of Electrochemical Oxide Interfaces at Mesoscale |

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

    Argonne Leadership Computing Facility Large-scale reactive molecular dynamics demonstrating the sintering mechanism under the influence of e-field. Tailoring the properties of nanoscale oxide-based technologies such as chemical activity, efficiency, durability, and reliability requires a better understanding of the nanoscale oxide growth kinetics under various oxidation conditions, the resulting film morphology, as well as their functional properties. Subramanian Sankaranarayanan, Argonne

  20. Soft X-ray techniques to study mesoscale magnetism

    SciTech Connect (OSTI)

    Kortright, Jeffrey B.

    2003-06-26

    Heterogeneity in magnetization (M) is ubiquitous in modern systems. Even in nominally homogeneous materials, domains or pinning centers typically mediate magnetization reversal. Fundamental lengths determining M structure include the domain wall width and the exchange stiffness length, typically in the 4-400 nm range. Chemical heterogeneity (phase separation, polycrystalline microstructure, lithographic or other patterning, etc.) with length scales from nanometers to microns is often introduced to influence magnetic properties. With 1-2 nm wavelengths {lambda}, soft x-rays in principle can resolve structure down to {lambda}/2, and are well suited to study these mesoscopic length scales [1, 2]. This article highlights recent advances in resonant soft x-ray methods to resolve lateral magnetic structure [3], and discusses some of their relative merits and limitations. Only techniques detecting x-ray photons (rather than photo-electrons) are considered [4], since they are compatible with strong applied fields to probe relatively deeply into samples. The magneto-optical (MO) effects discovered by Faraday and Kerr were observed in the x-ray range over a century later, first at ''hard'' wavelengths in diffraction experiments probing interatomic magnetic structure [5]. In the soft x-ray range, magnetic linear [6] and circular [7] dichroism spectroscopies first developed that average over lateral magnetic structure. These large resonant MO effects enable different approaches to study magnetic structure or heterogeneity that can be categorized as microscopy or scattering [1]. Direct images of magnetic structure result from photo-emission electron microscopes [4, 8] and zone-plate microscopes [9, 10]. Scattering techniques extended into the soft x-ray include familiar specular reflection that laterally averages over structure but can provide depth-resolved information, and diffuse scattering and diffraction that provide direct information about lateral magnetic structure. Scattering techniques are further classified as partially for fully coherent according to the extent of transverse coherence of the incident beam.

  1. Meso-scale controlled motion for a microfluidic drop ejector...

    Office of Scientific and Technical Information (OSTI)

    drops at 10 ms, (2) packaging--a compact ejector package based on a modified EMDIP (Electro-Microfluidic Dual In-line Package--SAND2002-1941) was fabricated, and (3) a vision...

  2. From Quanta to the Continuum: Opportunities for Mesoscale Science...

    Office of Scientific and Technical Information (OSTI)

    Alamos, NM (United States) Univ. of California, Berkeley, CA (United States) MIT (Massachusetts Inst. of Technology), Cambridge, MA (United States) Univ. of Minnesota,...

  3. Precipitation characteristics of CAM5 physics at mesoscale resolution...

    Office of Scientific and Technical Information (OSTI)

    during the Midlatitude Continental Convective Clouds ... behavior at 32 km grid spacing to better ... ISSN 1942-2466 Publisher: American Geophysical Union (AGU) ...

  4. Mesoscale Simulations of Particulate Flows with Parallel Distributed...

    Office of Scientific and Technical Information (OSTI)

    Visit OSTI to utilize additional information resources in energy science and technology. A ... We propose a computational technique based on the direct numerical simulation of the ...

  5. Mesoscale Simulations of Particulate Flows with Parallel Distributed

    Office of Scientific and Technical Information (OSTI)

    Distributed Lagrange Multiplier Technique Kanarska, Y 71 CLASSICAL AND QUANTUMM MECHANICS, GENERAL PHYSICS; ACCURACY; CONVERGENCE; FLUID FLOW; IMPLEMENTATION; MODIFICATIONS;...

  6. Quanta to the Continuum: Opportunities for Mesoscale Science...

    Office of Scientific and Technical Information (OSTI)

    APA Chicago Bibtex Export Metadata Endnote Excel CSV XML Save to My Library Send to Email Send to Email Email address: Content: Close Send Cite: MLA Format Close Cite: APA ...

  7. Aerosol cluster impact and break-up : II. Atomic and Cluster Scale Models.

    SciTech Connect (OSTI)

    Lechman, Jeremy B.; Takato, Yoichi

    2010-09-01

    Understanding the interaction of aerosol particle clusters/flocs with surfaces is an area of interest for a number of processes in chemical, pharmaceutical, and powder manufacturing as well as in steam-tube rupture in nuclear power plants. Developing predictive capabilities for these applications involves coupled phenomena on multiple length and timescales from the process macroscopic scale ({approx}1m) to the multi-cluster interaction scale (1mm-0.1m) to the single cluster scale ({approx}1000 - 10000 particles) to the particle scale (10nm-10{micro}m) interactions, and on down to the sub-particle, atomic scale interactions. The focus of this report is on the single cluster scale; although work directed toward developing better models of particle-particle interactions by considering sub-particle scale interactions and phenomena is also described. In particular, results of mesoscale (i.e., particle to single cluster scale) discrete element method (DEM) simulations for aerosol cluster impact with rigid walls are presented. The particle-particle interaction model is based on JKR adhesion theory and is implemented as an enhancement to the granular package in the LAMMPS code. The theory behind the model is outlined and preliminary results are shown. Additionally, as mentioned, results from atomistic classical molecular dynamics simulations are also described as a means of developing higher fidelity models of particle-particle interactions. Ultimately, the results from these and other studies at various scales must be collated to provide systems level models with accurate 'sub-grid' information for design, analysis and control of the underlying systems processes.

  8. Improvement of snowpack simulations in a regional climate model

    SciTech Connect (OSTI)

    Jin, J.; Miller, N.L.

    2011-01-10

    To improve simulations of regional-scale snow processes and related cold-season hydroclimate, the Community Land Model version 3 (CLM3), developed by the National Center for Atmospheric Research (NCAR), was coupled with the Pennsylvania State University/NCAR fifth-generation Mesoscale Model (MM5). CLM3 physically describes the mass and heat transfer within the snowpack using five snow layers that include liquid water and solid ice. The coupled MM5CLM3 model performance was evaluated for the snowmelt season in the Columbia River Basin in the Pacific Northwestern United States using gridded temperature and precipitation observations, along with station observations. The results from MM5CLM3 show a significant improvement in the SWE simulation, which has been underestimated in the original version of MM5 coupled with the Noah land-surface model. One important cause for the underestimated SWE in Noah is its unrealistic land-surface structure configuration where vegetation, snow and the topsoil layer are blended when snow is present. This study demonstrates the importance of the sheltering effects of the forest canopy on snow surface energy budgets, which is included in CLM3. Such effects are further seen in the simulations of surface air temperature and precipitation in regional weather and climate models such as MM5. In addition, the snow-season surface albedo overestimated by MM5Noah is now more accurately predicted by MM5CLM3 using a more realistic albedo algorithm that intensifies the solar radiation absorption on the land surface, reducing the strong near-surface cold bias in MM5Noah. The cold bias is further alleviated due to a slower snowmelt rate in MM5CLM3 during the early snowmelt stage, which is closer to observations than the comparable components of MM5Noah. In addition, the over-predicted precipitation in the Pacific Northwest as shown in MM5Noah is significantly decreased in MM5 CLM3 due to the lower evaporation resulting from the longer snow

  9. TITLE AUTHORS SUBJECT SUBJECT RELATED DESCRIPTION PUBLISHER AVAILABILI...

    Office of Scientific and Technical Information (OSTI)

    Properties of Siloxane Elastomers Using Combined Nuclear Magnetic Resonance and Mesoscale Computational Modeling Mayer B P Lewicki J P Weisgraber T H Small W Chinn S C...

  10. materials. Robbins, Joshua; Dingreville, Remi Philippe Michel...

    Office of Scientific and Technical Information (OSTI)

    LDRD final report : mesoscale modeling of dynamic loading of heterogeneous materials. Robbins, Joshua; Dingreville, Remi Philippe Michel; Voth, Thomas Eugene; Furnish, Michael...

  11. "Title","Creator/Author","Publication Date","OSTI Identifier...

    Office of Scientific and Technical Information (OSTI)

    Properties of Siloxane Elastomers Using Combined Nuclear Magnetic Resonance and Mesoscale Computational Modeling","Mayer, B P; Lewicki, J P; Weisgraber, T H; Small, W; Chinn,...

  12. Linking Network Microstructure to Macroscopic Properties of Siloxane

    Office of Scientific and Technical Information (OSTI)

    Properties of Siloxane Elastomers Using Combined Nuclear Magnetic Resonance and Mesoscale Computational Modeling Mayer, B P; Lewicki, J P; Weisgraber, T H; Small, W; Chinn, S...

  13. "Title","Creator/Author","Publication Date","OSTI Identifier...

    Office of Scientific and Technical Information (OSTI)

    LDRD final report : mesoscale modeling of dynamic loading of heterogeneous materials.","Robbins, Joshua; Dingreville, Remi Philippe Michel; Voth, Thomas Eugene; Furnish, Michael...

  14. TITLE AUTHORS SUBJECT SUBJECT RELATED DESCRIPTION PUBLISHER AVAILABILI...

    Office of Scientific and Technical Information (OSTI)

    LDRD final report mesoscale modeling of dynamic loading of heterogeneous materials Robbins Joshua Dingreville Remi Philippe Michel Voth Thomas Eugene Furnish Michael David Material...

  15. ARM - Publications: Science Team Meeting Documents

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

    Atmospheric Research Mesoscale Model 5 (MM5), in particular the shortwave downwelling (SW) flux calculations, is examined in this paper. Selected quantities output from the MM5...

  16. Linking Network Microstructure to Macroscopic Properties of Siloxane...

    Office of Scientific and Technical Information (OSTI)

    Title: Linking Network Microstructure to Macroscopic Properties of Siloxane Elastomers Using Combined Nuclear Magnetic Resonance and Mesoscale Computational Modeling Authors: Mayer...

  17. Modeling & Analysis

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

    National Solar Thermal Test Facility Nuclear ... Climate & Earth Systems Climate Measurement & Modeling ... Tribal Energy Program Intellectual Property Current EC ...

  18. Models & Tools

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

    Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable ... Arctic Climate Measurements Global Climate Models Software Sustainable Subsurface ...

  19. Phenomenological Modeling

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

    Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable ... Arctic Climate Measurements Global Climate Models Software Sustainable Subsurface ...

  20. Theory & Modeling

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

    Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing ... Heavy Duty Fuels DISI Combustion HCCISCCI Fundamentals Spray Combustion Modeling ...

  1. HERMES: A Model to Describe Deformation, Burning, Explosion, and Detonation

    SciTech Connect (OSTI)

    Reaugh, J E

    2011-11-22

    performance, whether as a result of accident, hazard, or a fault in the detonation train. These models describe the build-up of detonation from a shock stimulus. They are generally consistent with the mesoscale picture of ignition at many small defects in the plane of the shock front and the growth of the resulting hot-spots, leading to detonation in heterogeneous explosives such as plastic-bonded explosives (PBX). The models included terms for ignition, and also for the growth of reaction as tracked by the local mass fraction of product gas, {lambda}. The growth of reaction in such models incorporates a form factor that describes the change of surface area per unit volume (specific surface area) as the reaction progresses. For unimolecular crystalline-based explosives, the form factor is consistent with the mesoscale picture of a galaxy of hot spots burning outward and eventually interacting with each other. For composite explosives and propellants, where the fuel and oxidizer are segregated, the diffusion flame at the fuel-oxidizer interface can be interpreted with a different form factor that corresponds to grains burning inward from their surfaces. The form factor influences the energy release rate, and the amount of energy released in the reaction zone. Since the 19th century, gun and cannon propellants have used perforated geometric shapes that produce an increasing surface area as the propellant burns. This helps maintain the pressure as burning continues while the projectile travels down the barrel, which thereby increases the volume of the hot gas. Interior ballistics calculations use a geometric form factor to describe the changing surface area precisely. As a result, with a suitably modified form factor, detonation models can represent burning and explosion in damaged and broken reactant. The disadvantage of such models in application to accidents is that the ignition term does not distinguish between a value of pressure that results from a shock, and the same

  2. A comparison of the lattice discrete particle method to the finite-element method and the K&C material model for simulating the static and dynamic response of concrete.

    SciTech Connect (OSTI)

    Smith, Jovanca J.; Bishop, Joseph E.

    2013-11-01

    This report summarizes the work performed by the graduate student Jovanca Smith during a summer internship in the summer of 2012 with the aid of mentor Joe Bishop. The projects were a two-part endeavor that focused on the use of the numerical model called the Lattice Discrete Particle Model (LDPM). The LDPM is a discrete meso-scale model currently used at Northwestern University and the ERDC to model the heterogeneous quasi-brittle material, concrete. In the first part of the project, LDPM was compared to the Karagozian and Case Concrete Model (K&C) used in Presto, an explicit dynamics finite-element code, developed at Sandia National Laboratories. In order to make this comparison, a series of quasi-static numerical experiments were performed, namely unconfined uniaxial compression tests on four varied cube specimen sizes, three-point bending notched experiments on three proportional specimen sizes, and six triaxial compression tests on a cylindrical specimen. The second part of this project focused on the application of LDPM to simulate projectile perforation on an ultra high performance concrete called CORTUF. This application illustrates the strengths of LDPM over traditional continuum models.

  3. OSTI, US Dept of Energy Office of Scientific and Technical Information |

    Office of Scientific and Technical Information (OSTI)

    Speeding access to science information from DOE and Beyond The In-Between World of the Mesoscale by Kathy Chambers on Tue, June 23, 2015 Argonne Leadership Computing Facility, Brown University: Brain blood flow simulation with NekTar; a continuum model Argonne Leadership Computing Facility, Brown University: Brain blood flow simulation with NekTar; a continuum modelEmerging mesoscale science opportunities are among the most promising for future research. The in-between world of the mesoscale

  4. DE-SC0001933 DOE Final Report

    SciTech Connect (OSTI)

    Cerovecki, Ivana

    2014-11-14

    The overall objective of this study was to improve the representation of regional ocean circulation in the North Pacific by using high resolution atmospheric forcing that accurately represents mesoscale processes in ocean-atmosphere regional (North Pacific) model configuration. The goal was to assess the importance of accurate representation of mesoscale processes in the atmosphere and the ocean on large scale circulation. This is an important question, as mesoscale processes in the atmosphere which are resolved by the high resolution mesoscale atmospheric models such as Weather Research and Forecasting (WRF), are absent in commonly used atmospheric forcing such as CORE forcing, employed in e.g. the Community Climate System Model (CCSM).

  5. Development of fine-resolution analyses and expanded large-scale forcing properties. Part II: Scale-awareness and application to single-column model experiments

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

    Feng, Sha; Vogelmann, Andrew M.; Li, Zhijin; Liu, Yangang; Lin, Wuyin; Zhang, Minghua; Toto, Tami; Endo, Satoshi

    2015-01-20

    Fine-resolution three-dimensional fields have been produced using the Community Gridpoint Statistical Interpolation (GSI) data assimilation system for the U.S. Department of Energy’s Atmospheric Radiation Measurement Program (ARM) Southern Great Plains region. The GSI system is implemented in a multi-scale data assimilation framework using the Weather Research and Forecasting model at a cloud-resolving resolution of 2 km. From the fine-resolution three-dimensional fields, large-scale forcing is derived explicitly at grid-scale resolution; a subgrid-scale dynamic component is derived separately, representing subgrid-scale horizontal dynamic processes. Analyses show that the subgrid-scale dynamic component is often a major component over the large-scale forcing for grid scalesmore » larger than 200 km. The single-column model (SCM) of the Community Atmospheric Model version 5 (CAM5) is used to examine the impact of the grid-scale and subgrid-scale dynamic components on simulated precipitation and cloud fields associated with a mesoscale convective system. It is found that grid-scale size impacts simulated precipitation, resulting in an overestimation for grid scales of about 200 km but an underestimation for smaller grids. The subgrid-scale dynamic component has an appreciable impact on the simulations, suggesting that grid-scale and subgrid-scale dynamic components should be considered in the interpretation of SCM simulations.« less

  6. VISION Model

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

    VISION Model (Argonne National Laboratory) Objectives To provide estimates of the potential energy use, oil use, and carbon emission impacts of advanced light- and heavy-duty ...

  7. Autonomie Model

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

    Autonomie Model (Argonne National Laboratory) Objectives Perform simulations to assess the ... performance of advanced component and powertrain technologies in a vehicle system context. ...

  8. Ventilation Model

    SciTech Connect (OSTI)

    V. Chipman

    2002-10-05

    The purpose of the Ventilation Model is to simulate the heat transfer processes in and around waste emplacement drifts during periods of forced ventilation. The model evaluates the effects of emplacement drift ventilation on the thermal conditions in the emplacement drifts and surrounding rock mass, and calculates the heat removal by ventilation as a measure of the viability of ventilation to delay the onset of peak repository temperature and reduce its magnitude. The heat removal by ventilation is temporally and spatially dependent, and is expressed as the fraction of heat carried away by the ventilation air compared to the fraction of heat produced by radionuclide decay. One minus the heat removal is called the wall heat fraction, or the remaining amount of heat that is transferred via conduction to the surrounding rock mass. Downstream models, such as the ''Multiscale Thermohydrologic Model'' (BSC 2001), use the wall heat fractions as outputted from the Ventilation Model to initialize their post-closure analyses. The Ventilation Model report was initially developed to analyze the effects of preclosure continuous ventilation in the Engineered Barrier System (EBS) emplacement drifts, and to provide heat removal data to support EBS design. Revision 00 of the Ventilation Model included documentation of the modeling results from the ANSYS-based heat transfer model. The purposes of Revision 01 of the Ventilation Model are: (1) To validate the conceptual model for preclosure ventilation of emplacement drifts and verify its numerical application in accordance with new procedural requirements as outlined in AP-SIII-10Q, Models (Section 7.0). (2) To satisfy technical issues posed in KTI agreement RDTME 3.14 (Reamer and Williams 2001a). Specifically to demonstrate, with respect to the ANSYS ventilation model, the adequacy of the discretization (Section 6.2.3.1), and the downstream applicability of the model results (i.e. wall heat fractions) to initialize post

  9. Documentation of Hybrid Hydride Model for Incorporation into Moose-Bison and Validation Strategy.

    SciTech Connect (OSTI)

    Weck, Philippe F; Tikare, Veena; Schultz, Peter Andrew; Clark, B; Mitchell, J; Glazoff, Michael V.; Homer, Eric R.

    2014-10-01

    This report documents the development, demonstration and validation of a mesoscale, microstructural evolution model for simulation of zirconium hydride δ-ZrH{sub 1.5} precipitation in the cladding of used nuclear fuels that may occur during long-term dry storage. While the Zr-based claddings are manufactured free of any hydrogen, they absorb hydrogen during service, in the reactor by a process commonly termed ‘hydrogen pick-up’. The precipitation and growth of zirconium hydrides during dry storage is one of the most likely fuel rod integrity failure mechanisms either by embrittlement or delayed hydride cracking of the cladding (Hanson et al., 2011). While the phenomenon is well documented and identified as a potential key failure mechanism during long-term dry storage (Birk et al., 2012 and NUREG/CR-7116), the ability to actually predict the formation of hydrides is poor. The model being documented in this work is a computational capability for the prediction of hydride formation in different claddings of used nuclear fuels. This work supports the Used Fuel Disposition Research and Development Campaign in assessing the structural engineering performance of the cladding during and after long-term dry storage. In this work, a model to numerically simulate hydride precipitation at the microstructural scale, in a wide variety of Zr-based claddings, under dry-storage conditions is being developed. It will be used to aid in the evaluation of the mechanical integrity of used fuel rods during dry storage and transportation by providing the structural conditions from the microstructural scale to the continuum scale to engineering component scale models to predict if the used fuel rods will perform without failure under normal and off-normal conditions. The microstructure, especially, the hydride structure is thought to be a primary determinant of cladding failure, thus this component of UFD’s storage and transportation analysis program is critical. The model

  10. OSPREY Model

    SciTech Connect (OSTI)

    Veronica J. Rutledge

    2013-01-01

    The absence of industrial scale nuclear fuel reprocessing in the U.S. has precluded the necessary driver for developing the advanced simulation capability now prevalent in so many other countries. Thus, it is essential to model complex series of unit operations to simulate, understand, and predict inherent transient behavior and feedback loops. A capability of accurately simulating the dynamic behavior of advanced fuel cycle separation processes will provide substantial cost savings and many technical benefits. The specific fuel cycle separation process discussed in this report is the off-gas treatment system. The off-gas separation consists of a series of scrubbers and adsorption beds to capture constituents of interest. Dynamic models are being developed to simulate each unit operation involved so each unit operation can be used as a stand-alone model and in series with multiple others. Currently, an adsorption model has been developed within Multi-physics Object Oriented Simulation Environment (MOOSE) developed at the Idaho National Laboratory (INL). Off-gas Separation and REcoverY (OSPREY) models the adsorption of off-gas constituents for dispersed plug flow in a packed bed under non-isothermal and non-isobaric conditions. Inputs to the model include gas, sorbent, and column properties, equilibrium and kinetic data, and inlet conditions. The simulation outputs component concentrations along the column length as a function of time from which breakthrough data is obtained. The breakthrough data can be used to determine bed capacity, which in turn can be used to size columns. It also outputs temperature along the column length as a function of time and pressure drop along the column length. Experimental data and parameters were input into the adsorption model to develop models specific for krypton adsorption. The same can be done for iodine, xenon, and tritium. The model will be validated with experimental breakthrough curves. Customers will be given access to

  11. Next Generation Calibration Models with Dimensional Modeling...

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

    Calibration Models with Dimensional Modeling Next Generation Calibration Models with ... Calibration Optimization for Next Generation Diesel Engines An Accelerated Aging ...

  12. Models Datasets

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

    iteration by iteration. RevSim is an Excel 2010 based model. Much of the logic is VBA code (Visual Basic for Applications); the user does not need to know VBA to run the...

  13. Programming models

    SciTech Connect (OSTI)

    Daniel, David J; Mc Pherson, Allen; Thorp, John R; Barrett, Richard; Clay, Robert; De Supinski, Bronis; Dube, Evi; Heroux, Mike; Janssen, Curtis; Langer, Steve; Laros, Jim

    2011-01-14

    A programming model is a set of software technologies that support the expression of algorithms and provide applications with an abstract representation of the capabilities of the underlying hardware architecture. The primary goals are productivity, portability and performance.

  14. ISDAC Modeling

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

    Modeling Modeling of aerosol effects on Arctic stratiform clouds: Preliminary results from the ISDAC case study (poster 13J) Mikhail Ovchinnikov, Steve Ghan, Jiwen Fan, Xiaohong Liu (PNNL), Alexei Korolev, Peter Liu (Env. Canada) Shaocheng Xie (LLNL), Hugh Morrison (NCAR), ISDAC PI's, and members of the CMWG 2 Indirect Semi-Direct Aerosol Campaign Science questions: How do properties of the arctic aerosol during April differ from those measured during the MPACE in October? To what extent do the

  15. Multiscale modeling of beryllium: quantum mechanics and laser-driven shock experiments using novel diagnostics.

    SciTech Connect (OSTI)

    Swift, D. C.; Paisley, Dennis L.; Kyrala, George A.; Hauer, Allan

    2002-01-01

    Ab initio quantum mechanics was used to construct a thermodynamically complete and rigorous equation of state for beryllium in the hexagonal and body-centred cubic structures, and to predict elastic constants as a function of compression. The equation of state agreed well with Hugoniot data and previously-published equations of state, but the temperatures were significantly different. The hexagonal/bcc phase boundary agreed reasonably well with published data, suggesting that the temperatures in our new equation of state were accurate. Shock waves were induced in single crystals and polycrystalline foils of beryllium, by direct illumination using the TRIDENT laser at Los Alamos. The velocity history at the surface of the sample was measured using a line-imaging VISAR, and transient X-ray diffraction (TXD) records were obtained with a plasma backlighter and X-ray streak cameras. The VISAR records exhibited elastic precursors, plastic waves, phase changes and spall. Dual TXD records were taken, in Bragg and Laue orientations. The Bragg lines moved in response to compression in the uniaxial direction. Because direct laser drive was used, the results had to be interpreted with the aid of radiation hydrodynamics simulations to predict the loading history for each laser pulse. In the experiments where there was evidence of polymorphism in the VISAR record, additional lines appeared in the Bragg and Laue records. The corresponding pressures were consistent with the phase boundary predicted by the quantum mechanical equation of state for beryllium. A model of the response of a single crystal of beryllium to shock loading is being developed using these new theoretical and experimental results. This model will be used in meso-scale studies of the response of the microstructure, allowing us to develop a more accurate representation of the behaviour of polycrystalline beryllium.

  16. Multiscale model of metal alloy oxidation at grain boundaries

    SciTech Connect (OSTI)

    Sushko, Maria L. Alexandrov, Vitaly; Schreiber, Daniel K.; Rosso, Kevin M.; Bruemmer, Stephen M.

    2015-06-07

    High temperature intergranular oxidation and corrosion of metal alloys is one of the primary causes of materials degradation in nuclear systems. In order to gain insights into grain boundary oxidation processes, a mesoscale metal alloy oxidation model is established by combining quantum Density Functional Theory (DFT) and mesoscopic Poisson-Nernst-Planck/classical DFT with predictions focused on Ni alloyed with either Cr or Al. Analysis of species and fluxes at steady-state conditions indicates that the oxidation process involves vacancy-mediated transport of Ni and the minor alloying element to the oxidation front and the formation of stable metal oxides. The simulations further demonstrate that the mechanism of oxidation for Ni-5Cr and Ni-4Al is qualitatively different. Intergranular oxidation of Ni-5Cr involves the selective oxidation of the minor element and not matrix Ni, due to slower diffusion of Ni relative to Cr in the alloy and due to the significantly smaller energy gain upon the formation of nickel oxide compared to that of Cr{sub 2}O{sub 3}. This essentially one-component oxidation process results in continuous oxide formation and a monotonic Cr vacancy distribution ahead of the oxidation front, peaking at alloy/oxide interface. In contrast, Ni and Al are both oxidized in Ni-4Al forming a mixed spinel NiAl{sub 2}O{sub 4}. Different diffusivities of Ni and Al give rise to a complex elemental distribution in the vicinity of the oxidation front. Slower diffusing Ni accumulates in the oxide and metal within 3 nm of the interface, while Al penetrates deeper into the oxide phase. Ni and Al are both depleted from the region 3–10 nm ahead of the oxidation front creating voids. The oxide microstructure is also different. Cr{sub 2}O{sub 3} has a plate-like structure with 1.2–1.7 nm wide pores running along the grain boundary, while NiAl{sub 2}O{sub 4} has 1.5 nm wide pores in the direction parallel to the grain boundary and 0.6 nm pores in the perpendicular

  17. Assessing the CAM5 Physics Suite in the WRF-Chem Model: Implementation, Resolution Sensitivity, and a First Evaluation for a Regional Case Study

    SciTech Connect (OSTI)

    Ma, Po-Lun; Rasch, Philip J.; Fast, Jerome D.; Easter, Richard C.; Gustafson, William I.; Liu, Xiaohong; Ghan, Steven J.; Singh, Balwinder

    2014-05-06

    A suite of physical parameterizations (deep and shallow convection, turbulent boundary layer, aerosols, cloud microphysics, and cloud fraction) from the global climate model Community Atmosphere Model version 5.1 (CAM5) has been implemented in the regional model Weather Research and Forecasting with chemistry (WRF-Chem). A downscaling modeling framework with consistent physics has also been established in which both global and regional simulations use the same emissions and surface fluxes. The WRF-Chem model with the CAM5 physics suite is run at multiple horizontal resolutions over a domain encompassing the northern Pacific Ocean, northeast Asia, and northwest North America for April 2008 when the ARCTAS, ARCPAC, and ISDAC field campaigns took place. These simulations are evaluated against field campaign measurements, satellite retrievals, and ground-based observations, and are compared with simulations that use a set of common WRF-Chem Parameterizations. This manuscript describes the implementation of the CAM5 physics suite in WRF-Chem provides an overview of the modeling framework and an initial evaluation of the simulated meteorology, clouds, and aerosols, and quantifies the resolution dependence of the cloud and aerosol parameterizations. We demonstrate that some of the CAM5 biases, such as high estimates of cloud susceptibility to aerosols and the underestimation of aerosol concentrations in the Arctic, can be reduced simply by increasing horizontal resolution. We also show that the CAM5 physics suite performs similarly to a set of parameterizations commonly used in WRF-Chem, but produces higher ice and liquid water condensate amounts and near-surface black carbon concentration. Further evaluations that use other mesoscale model parameterizations and perform other case studies are needed to infer whether one parameterization consistently produces results more consistent with observations.

  18. ON THE IMPACT OF SUPER RESOLUTION WSR-88D DOPPLER RADAR DATA ASSIMILATION ON HIGH RESOLUTION NUMERICAL MODEL FORECASTS

    SciTech Connect (OSTI)

    Chiswell, S

    2009-01-11

    Assimilation of radar velocity and precipitation fields into high-resolution model simulations can improve precipitation forecasts with decreased 'spin-up' time and improve short-term simulation of boundary layer winds (Benjamin, 2004 & 2007; Xiao, 2008) which is critical to improving plume transport forecasts. Accurate description of wind and turbulence fields is essential to useful atmospheric transport and dispersion results, and any improvement in the accuracy of these fields will make consequence assessment more valuable during both routine operation as well as potential emergency situations. During 2008, the United States National Weather Service (NWS) radars implemented a significant upgrade which increased the real-time level II data resolution to 8 times their previous 'legacy' resolution, from 1 km range gate and 1.0 degree azimuthal resolution to 'super resolution' 250 m range gate and 0.5 degree azimuthal resolution (Fig 1). These radar observations provide reflectivity, velocity and returned power spectra measurements at a range of up to 300 km (460 km for reflectivity) at a frequency of 4-5 minutes and yield up to 13.5 million point observations per level in super-resolution mode. The migration of National Weather Service (NWS) WSR-88D radars to super resolution is expected to improve warning lead times by detecting small scale features sooner with increased reliability; however, current operational mesoscale model domains utilize grid spacing several times larger than the legacy data resolution, and therefore the added resolution of radar data is not fully exploited. The assimilation of super resolution reflectivity and velocity data into high resolution numerical weather model forecasts where grid spacing is comparable to the radar data resolution is investigated here to determine the impact of the improved data resolution on model predictions.

  19. Phenomenological Modeling

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

    Phenomenological Modeling - 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 Advanced

  20. Criticality Model

    SciTech Connect (OSTI)

    A. Alsaed

    2004-09-14

    The ''Disposal Criticality Analysis Methodology Topical Report'' (YMP 2003) presents the methodology for evaluating potential criticality situations in the monitored geologic repository. As stated in the referenced Topical Report, the detailed methodology for performing the disposal criticality analyses will be documented in model reports. Many of the models developed in support of the Topical Report differ from the definition of models as given in the Office of Civilian Radioactive Waste Management procedure AP-SIII.10Q, ''Models'', in that they are procedural, rather than mathematical. These model reports document the detailed methodology necessary to implement the approach presented in the Disposal Criticality Analysis Methodology Topical Report and provide calculations utilizing the methodology. Thus, the governing procedure for this type of report is AP-3.12Q, ''Design Calculations and Analyses''. The ''Criticality Model'' is of this latter type, providing a process evaluating the criticality potential of in-package and external configurations. The purpose of this analysis is to layout the process for calculating the criticality potential for various in-package and external configurations and to calculate lower-bound tolerance limit (LBTL) values and determine range of applicability (ROA) parameters. The LBTL calculations and the ROA determinations are performed using selected benchmark experiments that are applicable to various waste forms and various in-package and external configurations. The waste forms considered in this calculation are pressurized water reactor (PWR), boiling water reactor (BWR), Fast Flux Test Facility (FFTF), Training Research Isotope General Atomic (TRIGA), Enrico Fermi, Shippingport pressurized water reactor, Shippingport light water breeder reactor (LWBR), N-Reactor, Melt and Dilute, and Fort Saint Vrain Reactor spent nuclear fuel (SNF). The scope of this analysis is to document the criticality computational method. The criticality

  1. scale model

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

    scale model - 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 Advanced Nuclear Energy

  2. Competency Models

    Broader source: Energy.gov [DOE]

    An industry-validated competency model is an excellent tool for identifying the skills needed to succeed in a particular job, developing curricula to teach them, and benchmarking their attainment. Particularly valuable in dynamic industries like solar energy, a competency framework is critical to any training program attempting to advance lower-skilled workers into navigable career pathways, or transition higher skilled workers into new industry sectors.

  3. Systems Modeling

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

    Modeling - 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 Advanced Nuclear Energy

  4. Nuclear Models

    SciTech Connect (OSTI)

    Fossion, Ruben [Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico, Apartado Postal 70-543, Mexico D. F., C.P. 04510 (Mexico)

    2010-09-10

    The atomic nucleus is a typical example of a many-body problem. On the one hand, the number of nucleons (protons and neutrons) that constitute the nucleus is too large to allow for exact calculations. On the other hand, the number of constituent particles is too small for the individual nuclear excitation states to be explained by statistical methods. Another problem, particular for the atomic nucleus, is that the nucleon-nucleon (n-n) interaction is not one of the fundamental forces of Nature, and is hard to put in a single closed equation. The nucleon-nucleon interaction also behaves differently between two free nucleons (bare interaction) and between two nucleons in the nuclear medium (dressed interaction).Because of the above reasons, specific nuclear many-body models have been devised of which each one sheds light on some selected aspects of nuclear structure. Only combining the viewpoints of different models, a global insight of the atomic nucleus can be gained. In this chapter, we revise the the Nuclear Shell Model as an example of the microscopic approach, and the Collective Model as an example of the geometric approach. Finally, we study the statistical properties of nuclear spectra, basing on symmetry principles, to find out whether there is quantum chaos in the atomic nucleus. All three major approaches have been rewarded with the Nobel Prize of Physics. In the text, we will stress how each approach introduces its own series of approximations to reduce the prohibitingly large number of degrees of freedom of the full many-body problem to a smaller manageable number of effective degrees of freedom.

  5. Modeling the thermal deformation of TATB-based explosives. Part 1: Thermal expansion of neat-pressed polycrystalline TATB

    SciTech Connect (OSTI)

    Luscher, Darby J.

    2014-05-08

    We detail a modeling approach to simulate the anisotropic thermal expansion of polycrystalline (1,3,5-triamino-2,4,6-trinitrobenzene) TATB-based explosives that utilizes microstructural information including porosity, crystal aspect ratio, and processing-induced texture. This report, the first in a series, focuses on nonlinear thermal expansion of neat-pressed polycrystalline TATB specimens which do not contain any binder; additional complexities related to polymeric binder and irreversible ratcheting behavior are briefly discussed, however detailed investigation of these aspects are deferred to subsequent reports. In this work we have, for the first time, developed a mesoscale continuum model relating the thermal expansion of polycrystal TATB specimens to their microstructural characteristics. A self-consistent homogenization procedure is used to relate macroscopic thermoelastic response to the constitutive behavior of single-crystal TATB. The model includes a representation of grain aspect ratio, porosity, and crystallographic texture attributed to the consolidation process. A quantitative model is proposed to describe the evolution of preferred orientation of graphitic planes in TATB during consolidation and an algorithm constructed to develop a discrete representation of the associated orientation distribution function. Analytical and numerical solutions using this model are shown to produce textures consistent with previous measurements and characterization for isostatic and uniaxial die-pressed specimens. Predicted thermal strain versus temperature for textured specimens are shown to be in agreement with corresponding experimental measurements. Using the developed modeling approach, several simulations have been run to investigate the influence of microstructure on macroscopic thermal expansion behavior. Results from these simulations are used to identify qualitative trends. Implications of the identified trends are discussed in the context of thermal

  6. High-Resolution Modeling to Assess Tropical Cyclone Activity in Future Climate Regimes

    SciTech Connect (OSTI)

    Lackmann, Gary

    2013-06-10

    Applied research is proposed with the following objectives: (i) to determine the most likely level of tropical cyclone intensity and frequency in future climate regimes, (ii) to provide a quantitative measure of uncertainty in these predictions, and (iii) to improve understanding of the linkage between tropical cyclones and the planetary-scale circulation. Current mesoscale weather forecasting models, such as the Weather Research and Forecasting (WRF) model, are capable of simulating the full intensity of tropical cyclones (TC) with realistic structures. However, in order to accurately represent both the primary and secondary circulations in these systems, model simulations must be configured with sufficient resolution to explicitly represent convection (omitting the convective parameterization scheme). Most previous numerical studies of TC activity at seasonal and longer time scales have not utilized such explicit convection (EC) model runs. Here, we propose to employ the moving nest capability of WRF to optimally represent TC activity on a seasonal scale using a downscaling approach. The statistical results of a suite of these high-resolution TC simulations will yield a realistic representation of TC intensity on a seasonal basis, while at the same time allowing analysis of the feedback that TCs exert on the larger-scale climate system. Experiments will be driven with analyzed lateral boundary conditions for several recent Atlantic seasons, spanning a range of activity levels and TC track patterns. Results of the ensemble of WRF simulations will then be compared to analyzed TC data in order to determine the extent to which this modeling setup can reproduce recent levels of TC activity. Next, the boundary conditions (sea-surface temperature, tropopause height, and thermal/moisture profiles) from the recent seasons will be altered in a manner consistent with various future GCM/RCM scenarios, but that preserves the large-scale shear and incipient disturbance

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

    SciTech Connect (OSTI)

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

    2010-11-07

    Chemical and energy conversion systems based on microchannel process technology (MPT) demonstrate high performance in applications in which rates are controlled by diffusive heat and mass transfer flux. The performance of MPT-based heat exchangers, absorbers/desorbers and chemical reactors all benefit from process intensification and have been used in a variety of mobile energy conversion systems including fuel reformers/converters, heat pumps and waste heat scavenging technologies. The service environments typical of MPTs often require the devices to be fabricated from metals such as aluminum, titanium, stainless steel or high temperature super alloys. Flow channels and associated critical dimensions in these devices can be as small as 50 um, but generally range from 100 to 1000 um in width and height with characteristic flow channel lengths normally in the mm to cm range. High surface area architectures (e.g. wicks or textured surfaces) are often included in the flow channels as well for enhanced mass transfer and/or catalytic functionality. Fabrication of MPT devices has historically been performed using a stacked-shim approach in which individual metal sheets are first patterned with micro- and meso-scale flow channels and subsequently bonded in a stack to create an array of miniaturized, parallel flow paths. Typical proof-of-concept fabrication efforts have utilized photo chemical machining (PCM) for shim patterning and diffusion bonding or diffusion brazing for joining of shim stacks. While flexible and capable of supporting technology demonstration, however, these techniques can be expensive at prototyping volumes. The high fabrication cost associated with these prototyping processes has contributed to a perception that MPT technology is expensive and will be relegated to a small application space. Recent work at the Microproducts Breakthrough Institute (MBI) has focused on exploring the cost structure of high volume manufacturing of MPT devices in effort to

  8. I&C Modeling in SPAR Models

    SciTech Connect (OSTI)

    John A. Schroeder

    2012-06-01

    The Standardized Plant Analysis Risk (SPAR) models for the U.S. commercial nuclear power plants currently have very limited instrumentation and control (I&C) modeling [1]. Most of the I&C components in the operating plant SPAR models are related to the reactor protection system. This was identified as a finding during the industry peer review of SPAR models. While the Emergency Safeguard Features (ESF) actuation and control system was incorporated into the Peach Bottom Unit 2 SPAR model in a recent effort [2], various approaches to expend resources for detailed I&C modeling in other SPAR models are investigated.

  9. Modeling natural gas reservoirs - a simple model

    SciTech Connect (OSTI)

    Collier, R.S.

    1981-10-01

    A mathematical model is developed and tested for the production of natural gas with water encroachment and gas entrapment. The model is built on the material and volumetric balance relations, the Schilthuis water drive model, and a gas entrapment mechanism which assumes that the rate of gas entrapment is proportional to the volumetric rate of water influx. This model represents an alternative to the large grid models because of its low computer, maintenance, and manpower costs. 13 refs.

  10. Evaluation of Cloud-resolving and Limited Area Model Intercomparison Simulations using TWP-ICE Observations. Part 1: Deep Convective Updraft Properties

    SciTech Connect (OSTI)

    Varble, A. C.; Zipser, Edward J.; Fridlind, Ann; Zhu, Ping; Ackerman, Andrew; Chaboureau, Jean-Pierre; Collis, Scott M.; Fan, Jiwen; Hill, Adrian; Shipway, Ben

    2014-12-27

    Ten 3D cloud-resolving model (CRM) simulations and four 3D limited area model (LAM) simulations of an intense mesoscale convective system observed on January 23-24, 2006 during the Tropical Warm Pool International Cloud Experiment (TWP-ICE) are compared with each other and with observed radar reflectivity fields and dual-Doppler retrievals of vertical wind speeds in an attempt to explain published results showing a high bias in simulated convective radar reflectivity aloft. This high bias results from ice water content being large, which is a product of large, strong convective updrafts, although hydrometeor size distribution assumptions modulate the size of this bias. Snow reflectivity can exceed 40 dBZ in a two-moment scheme when a constant bulk density of 100 kg m-3 is used. Making snow mass more realistically proportional to area rather than volume should somewhat alleviate this problem. Graupel, unlike snow, produces high biased reflectivity in all simulations. This is associated with large amounts of liquid water above the freezing level in updraft cores. Peak vertical velocities in deep convective updrafts are greater than dual-Doppler retrieved values, especially in the upper troposphere. Freezing of large rainwater contents lofted above the freezing level in simulated updraft cores greatly contributes to these excessive upper tropospheric vertical velocities. Strong simulated updraft cores are nearly undiluted, with some showing supercell characteristics. Decreasing horizontal grid spacing from 900 meters to 100 meters weakens strong updrafts, but not enough to match observational retrievals. Therefore, overly intense simulated updrafts may partly be a product of interactions between convective dynamics, parameterized microphysics, and large-scale environmental biases that promote different convective modes and strengths than observed.

  11. Sandia Modeling Tool Webinar

    Broader source: Energy.gov [DOE]

    Webinar attendees will learn what collaborative, stakeholder-driven modeling is, how the models developed have been and could be used, and how specifically this process and resulting models might...

  12. Hydrogen Delivery Analysis Models

    Broader source: Energy.gov [DOE]

    DOE H2A Delivery Models: Components Model (delivery system component costs and performance) and Scenario Model (for urban and rural/interstate markets and demand levels, market penetration)

  13. Macro System Model (MSM)

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

    Macro System Model (MSM) (National Renewable Energy Laboratory) Objectives Perform rapid cross-cutting analysis that utilizes and links other models. Ensure all aspects of hydrogen pathway and cost analysis is included such as hydrogen purity, leakage, etc. Key Attributes & Strengths Easily and rapidly links modeling experts with DOE's other models that are included in the MSM. Platform, Requirements & Availability MSM is a static, cross-cutting model which links models from various

  14. Modeling of geothermal systems

    SciTech Connect (OSTI)

    Bodvarsson, G.S.; Pruess, K.; Lippmann, M.J.

    1985-03-01

    During the last decade the use of numerical modeling for geothermal resource evaluation has grown significantly, and new modeling approaches have been developed. In this paper we present a summary of the present status in numerical modeling of geothermal systems, emphasizing recent developments. Different modeling approaches are described and their applicability discussed. The various modeling tasks, including natural-state, exploitation, injection, multi-component and subsidence modeling, are illustrated with geothermal field examples. 99 refs., 14 figs.

  15. Hydrogen Delivery Analysis Models

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

    Models Amgad Elgowainy (ANL), Marianne Mintz (ANL), Jerry Gillette (ANL), Matt Ringer (NREL), Bruce Kelly (Nexant), Matt Hooks (TIAX), Daryl Brown (PNNL), and Mark Paster (DOE) September, 2007 DOE H2A Delivery Models Spreadsheet model for delivery system component costs and performance: Components Model Delivery scenario model for Urban and Rural /Interstate markets and demand levels (Mkt. Penetration) Scenario Model Estimates the cost of H 2 ($/kg) (and V2: energy and GHG) Assumes 2005 delivery

  16. Modeling and Analysis

    Broader source: Energy.gov [DOE]

    DOE modeling and analysis activities focus on reducing uncertainties and improving transparency in photovoltaics (PV) and concentrating solar power (CSP) performance modeling. The overall goal of...

  17. CAMPUS ENERGY MODEL

    Energy Science and Technology Software Center (OSTI)

    003655IBMPC00 Campus Energy Model for Control and Performance Validation https://github.com/NREL/CampusEnergyModeling/releases/tag/v0.2.1

  18. Fuel Model | NISAC

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

    Fuels Model This model informs analyses of the availability of transportation fuel in the event the fuel supply chain is disrupted. The portion of the fuel supply system...

  19. Multiscale Subsurface Biogeochemical Modeling

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

    Biogeochemical Modeling Multiscale Subsurface Biogeochemical Modeling ScheibeSmaller.jpg Simulation of flow inside an experimental packed bed, performed on Franklin Key...

  20. Building Energy Modeling Library

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

    Modeling (BEM) Library TDM - Amir Roth Ellen Franconi Rocky Mountain Institute ... Project Overview Building Energy Modeling (BEM) Library * Define and develop a ...

  1. PV Reliability & Performance Model

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

    Reliability & Performance Model - Sandia Energy Energy Search Icon Sandia Home Locations ... Twitter Google + Vimeo GovDelivery SlideShare PV Reliability & Performance Model Home...

  2. The characteristics of local atmospheric circulation around the Wolsung NPP in Korea

    SciTech Connect (OSTI)

    Lee, G.B.; Lee, M.C.; Song, Y.I.

    1998-12-31

    The transport of air pollutants in coastal regions has been known to be strongly affected by the mesoscale atmospheric circulations such as sea-land breezes. These mesoscale atmospheric circulations depend on synoptic weather conditions. In this study, a three-dimensional sea-land breeze model was developed to evaluate the effects of the sea and land breezes on the atmospheric dispersion of radioactive materials released from nuclear power plants in Korea. In the model, the hydrostatic primitive equations in the terrain-following coordinate system were used. The mesoscale atmospheric circulation simulation were carried out under various synoptic weather conditions for all seasons around the Wolsung nuclear power plant site.

  3. Section 10

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

    Impact of Environmental Conditions on the Mesoscale Characteristics of Squall-Line Systems: Toward the Development of Anvil Cirrus Parameterization for General Circulation Models H.-N. S. Chin and M. M. Bradley Atmospheric Sciences Division Lawrence Livermore National Laboratory Livermore, California Introduction Model and Initialization Our earlier studies (Chin 1994; Chin et al. 1995) indicated The model used is an extension of Chin and Ogura's (1989) that in the mesoscale convective systems

  4. dudhia-99.PDF

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

    Mesoscale Model Coupled to a Land-Surface Model to Simulate Surface Fluxes at High Resolution J. Dudhia Mesoscale and Microscale Meteorology Division National Center for Atmospheric Research Boulder, Colorado F. Chen Research Applications Program National Center for Atmospheric Research Boulder, Colorado Overview One goal of the Atmospheric Radiation Measurement (ARM) Program is to improve general circulation models (GCMs) by obtaining detailed meteorological information in limited areas of

  5. Biomass Scenario Model

    SciTech Connect (OSTI)

    2015-09-01

    The Biomass Scenario Model (BSM) is a unique, carefully validated, state-of-the-art dynamic model of the domestic biofuels supply chain which explicitly focuses on policy issues, their feasibility, and potential side effects. It integrates resource availability, physical/technological/economic constraints, behavior, and policy. The model uses a system dynamics simulation (not optimization) to model dynamic interactions across the supply chain.

  6. modeling-sediment-html

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

    Modeling of Sediment Transport and Porous Medium Response Under Current ad Waves

  7. Dynamic cable analysis models

    SciTech Connect (OSTI)

    Palo, P.A.; Meggitt, D.J.; Nordell, W.J.

    1983-05-01

    This paper presents a summary of the development and validation of undersea cable dynamics computer models by the Naval Civil Engineering Laboratory (NCEL) under the sponsorship of the Naval Facilities Engineering Command. These models allow for the analysis of both small displacement (strumming) and large displacement (static and dynamic) deformations of arbitrarily configured cable structures. All of the large displacement models described in this paper are available to the public. This paper does not emphasize the theoretical development of the models (this information is available in other references) but emphasizes the various features of the models, the comparisons between model output and experimental data, and applications for which the models have been used.

  8. Accounting for Model Error in the Calibration of Physical Models...

    Office of Scientific and Technical Information (OSTI)

    Accounting for Model Error in the Calibration of Physical Models. Citation Details In-Document Search Title: Accounting for Model Error in the Calibration of Physical Models. ...

  9. Modeling Fluid Flow in Natural Systems, Model Validation and...

    Energy Savers [EERE]

    Modeling Fluid Flow in Natural Systems, Model Validation and Demonstration Modeling Fluid Flow in Natural Systems, Model Validation and Demonstration Clay and granitic units are ...

  10. Hydrologic Modeling Capabilities

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

    Understanding complex hydrologic systems requires the ability to develop, utilize, and interpret both numerical and analytical models. The Defense Waste Management Programs has both experience and technical knowledge to use and develop Earth systems models. Hydrological Modeling Models are simplified representations of reality, which we accept do not capture every detail of reality. Mathematical and numerical models can be used to rigorously test geologic and hydrologic assumptions, determine

  11. Microsoft Word - Modeling Summary

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

    Estimated Onsite worker and offsite public dose Modeling has been done to estimate onsite worker and offsite public dose that may have resulted from the February 14, 2014, event. The results of the modeling indicate that all potential doses were well below the applicable regulatory limits (see results below). The modeling results are consistent with actual worker bioassay results. For modeling data see: (http://www.wipp.energy.gov/Special/Modeling Results.pdf) Estimated Dose Applicable

  12. Computational Modeling | Bioenergy | NREL

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

    Computational Modeling NREL uses computational modeling to increase the efficiency of biomass conversion by rational design using multiscale modeling, applying theoretical approaches, and testing scientific hypotheses. model of enzymes wrapping on cellulose; colorful circular structures entwined through blue strands Cellulosomes are complexes of protein scaffolds and enzymes that are highly effective in decomposing biomass. This is a snapshot of a coarse-grain model of complex cellulosome

  13. "Title","Creator/Author","Publication Date","OSTI Identifier...

    Office of Scientific and Technical Information (OSTI)

    Mesoscale Modeling Framework Design: Subcontract Report","Chen, L Q; Tang, M; Heo, T W; Wood, B C","2014-01-09T05:00:00Z",1116973,"10.21721116973","LLNL-SR-648484","W-7405-ENG-48"...

  14. X:\\ARM_19~1\\P273-281.WPD

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

    1. Simulation at 1800 GMT, +6 hrs. A Shallow Convection Parameterization for the Non-Hydrostatic MM5 Mesoscale Model N. L. Seaman, J. S. Kain, and A. Deng Pennsylvania State...

  15. splitt(2)-98.pdf

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

    9 Continued Assessment of WSR-88D Wind Data to Support ARM Single-Column Model IOPs M. E. Splitt Cooperative Institute for Mesoscale Meteorological Studies University of Oklahoma ...

  16. "Title","Creator/Author","Publication Date","OSTI Identifier...

    Office of Scientific and Technical Information (OSTI)

    STATISTICAL MECHANICS MODELING OF MESOSCALE DEFORMATION IN METALS","Anter El-Azab","2013-04-08T04:00:00Z",1073049,"10.21721073049","DOE-ER46494","FG02-08ER46494",,"Technical...

  17. Ensemble Atmospheric Dispersion Modeling

    SciTech Connect (OSTI)

    Addis, R.P.

    2002-06-24

    Prognostic atmospheric dispersion models are used to generate consequence assessments, which assist decision-makers in the event of a release from a nuclear facility. Differences in the forecast wind fields generated by various meteorological agencies, differences in the transport and diffusion models, as well as differences in the way these models treat the release source term, result in differences in the resulting plumes. Even dispersion models using the same wind fields may produce substantially different plumes. This talk will address how ensemble techniques may be used to enable atmospheric modelers to provide decision-makers with a more realistic understanding of how both the atmosphere and the models behave.

  18. Modeling EERE deployment programs

    SciTech Connect (OSTI)

    Cort, K. A.; Hostick, D. J.; Belzer, D. B.; Livingston, O. V.

    2007-11-01

    The purpose of the project was to identify and characterize the modeling of deployment programs within the EERE Technology Development (TD) programs, address possible improvements to the modeling process, and note gaps in knowledge for future research.

  19. System Advisor Model

    Energy Science and Technology Software Center (OSTI)

    2010-03-01

    The System Advisor Model (SAM) is a performance and economic model designed to facilitate decision making for people involved in the renewable energy industry, ranging from project managers and engineers to incentive program designers, technology developers, and researchers.

  20. Power Sector Modeling 101

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

    Erin Boyd Department of Energy - Office of Energy Policy and Systems Analysis erin.boyd@hq.doe.gov DOE's Technical Assistance Website www.energy.gov/ta Power Sector Modeling 101 2 Presentation Description - DOE Power Sector Modeling 101 With increased energy planning needs and new regulations, environmental agencies, state energy offices and others have expressed more of an interest in electric power sector models, both for (a) interpreting the results and potential applications of modeling from

  1. X:\ARM_19~1\P273-281.WPD

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

    RH c ) RH c RH c RH c Session Papers 273 Evaluation of Cloud Prediction and Determination of Critical Relative Humidity for a Mesoscale Numerical Weather Prediction Model N. L. Seaman, Z. Guo, and T. P. Ackerman Pennsylvania State University, Department of Meteorology University Park, Pennsylvania Predictions of cloud occurrence and vertical location from the Pennsylvania State University/National Center for Atmospheric Research nonhydrostatic mesoscale model (MM5) were evaluated statistically

  2. P:\JODI\PGS77-91.WPD

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

    Data Assimilation of a Ten-Day Period During June 1993 Over the Southern Great Plains Site Using a Nested Mesoscale Model J. Dudhia and Y.-R. Guo Mesoscale and Microscale Meteorology Division National Center for Atmospheric Research Boulder, Colorado Introduction A goal of the Atmospheric Radiation Measurement (ARM) Program has been to obtain a complete representation of physical processes on the scale of a general circulation model (GCM) grid box in order to better parameterize radiative

  3. Impact-GMI Model

    Energy Science and Technology Software Center (OSTI)

    2007-03-22

    IMPACT-GMI is an atmospheric chemical transport model designed to run on massively parallel computers. It is designed to model trace pollutants in the atmosphere. It includes models for emission, chemistry and deposition of pollutants. It can be used to assess air quality and its impact on future climate change.

  4. Model Fire Protection Program

    Broader source: Energy.gov [DOE]

    To facilitate conformance with its fire safety directives and the implementation of a comprehensive fire protection program, DOE has developed a number of "model" program documents. These include a comprehensive model fire protection program, model fire hazards analyses and assessments, fire protection system inspection and testing procedures, and related material.

  5. Modeling EERE Deployment Programs

    SciTech Connect (OSTI)

    Cort, K. A.; Hostick, D. J.; Belzer, D. B.; Livingston, O. V.

    2007-11-01

    This report compiles information and conclusions gathered as part of the “Modeling EERE Deployment Programs” project. The purpose of the project was to identify and characterize the modeling of deployment programs within the EERE Technology Development (TD) programs, address possible improvements to the modeling process, and note gaps in knowledge in which future research is needed.

  6. Transportation Systems Modeling

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

    TRACC RESEARCH Computational Fluid Dynamics Computational Structural Mechanics Transportation Systems Modeling TRANSPORTATION SYSTEMS MODELING Overview of TSM Transportation systems modeling research at TRACC uses the TRANSIMS (Transportation Analysis SIMulation System) traffic micro simulation code developed by the U.S. Department of Transportation (USDOT). The TRANSIMS code represents the latest generation of traffic simulation codes developed jointly under multiyear programs by USDOT, the

  7. Campus Energy Modeling Platform

    Energy Science and Technology Software Center (OSTI)

    2014-09-19

    NREL's Campus Energy Modeling project provides a suite of simulation tools for integrated, data driven energy modeling of commercial buildings and campuses using Simulink. The tools enable development of fully interconnected models for commercial campus energy infrastructure, including electrical distribution systems, district heating and cooling, onsite generation (both conventional and renewable), building loads, energy storage, and control systems.

  8. IR DIAL performance modeling

    SciTech Connect (OSTI)

    Sharlemann, E.T.

    1994-07-01

    We are developing a DIAL performance model for CALIOPE at LLNL. The intent of the model is to provide quick and interactive parameter sensitivity calculations with immediate graphical output. A brief overview of the features of the performance model is given, along with an example of performance calculations for a non-CALIOPE application.

  9. CONTENT MODEL HOW-TO

    Energy Science and Technology Software Center (OSTI)

    003241MLTPL00 Content Model Guidelines https://github.com/usgin/usginspecs/wiki/Content-Model-Guidelines

  10. The Inforum LIFT Model

    U.S. Energy Information Administration (EIA) Indexed Site

    Inforum LIFT Model U.S. Energy and Economic Outlook Douglas S. Meade 2011 EIA Energy Conference Overview  The Inforum LIFT Model  Treatment of energy flows and emissions in LIFT.  Calibrating to AEO  Model extensions  U.S. Energy and Macroeconomic Outlook  Modeling of energy and environmental regulation April 26, 2011 2 2011 EIA Energy Conference LIFT: An Interindustry Macro (IM) Model  Input-Output (IO) relationships form the core of LIFT, both for output and price

  11. UZ Colloid Transport Model

    SciTech Connect (OSTI)

    M. McGraw

    2000-04-13

    The UZ Colloid Transport model development plan states that the objective of this Analysis/Model Report (AMR) is to document the development of a model for simulating unsaturated colloid transport. This objective includes the following: (1) use of a process level model to evaluate the potential mechanisms for colloid transport at Yucca Mountain; (2) Provide ranges of parameters for significant colloid transport processes to Performance Assessment (PA) for the unsaturated zone (UZ); (3) Provide a basis for development of an abstracted model for use in PA calculations.

  12. Foam process models.

    SciTech Connect (OSTI)

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

    2008-09-01

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

  13. Ventilation Model Report

    SciTech Connect (OSTI)

    V. Chipman; J. Case

    2002-12-20

    The purpose of the Ventilation Model is to simulate the heat transfer processes in and around waste emplacement drifts during periods of forced ventilation. The model evaluates the effects of emplacement drift ventilation on the thermal conditions in the emplacement drifts and surrounding rock mass, and calculates the heat removal by ventilation as a measure of the viability of ventilation to delay the onset of peak repository temperature and reduce its magnitude. The heat removal by ventilation is temporally and spatially dependent, and is expressed as the fraction of heat carried away by the ventilation air compared to the fraction of heat produced by radionuclide decay. One minus the heat removal is called the wall heat fraction, or the remaining amount of heat that is transferred via conduction to the surrounding rock mass. Downstream models, such as the ''Multiscale Thermohydrologic Model'' (BSC 2001), use the wall heat fractions as outputted from the Ventilation Model to initialize their post-closure analyses. The Ventilation Model report was initially developed to analyze the effects of preclosure continuous ventilation in the Engineered Barrier System (EBS) emplacement drifts, and to provide heat removal data to support EBS design. Revision 00 of the Ventilation Model included documentation of the modeling results from the ANSYS-based heat transfer model. Revision 01 ICN 01 included the results of the unqualified software code MULTIFLUX to assess the influence of moisture on the ventilation efficiency. The purposes of Revision 02 of the Ventilation Model are: (1) To validate the conceptual model for preclosure ventilation of emplacement drifts and verify its numerical application in accordance with new procedural requirements as outlined in AP-SIII-10Q, Models (Section 7.0). (2) To satisfy technical issues posed in KTI agreement RDTME 3.14 (Reamer and Williams 2001a). Specifically to demonstrate, with respect to the ANSYS ventilation model, the adequacy of

  14. Estimating a model discrepancy term for the Community Land Model...

    Office of Scientific and Technical Information (OSTI)

    ... month - The final fitted polynomial model has 10% - 20% errors - not good enough * Regression kriging - Used quadratic as a meantrend model and stationary Gaussian Process model ...

  15. Microstructure and mesh sensitivities of mesoscale surrogate driving force measures for transgranular fatigue cracks in polycrystals

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

    Castelluccio, Gustavo M.; McDowell, David L.

    2015-05-22

    The number of cycles required to form and grow microstructurally small fatigue cracks in metals exhibits substantial variability, particularly for low applied strain amplitudes. This variability is commonly attributed to the heterogeneity of cyclic plastic deformation within the microstructure, and presents a challenge to minimum life design of fatigue resistant components. Our paper analyzes sources of variability that contribute to the driving force of transgranular fatigue cracks within nucleant grains. We also employ crystal plasticity finite element simulations that explicitly render the polycrystalline microstructure and Fatigue Indicator Parameters (FIPs) averaged over different volume sizes and shapes relative to the anticipatedmore » fatigue damage process zone. Volume averaging is necessary to both achieve description of a finite fatigue damage process zone and to regularize mesh dependence in simulations. Furthermore, results from constant amplitude remote applied straining are characterized in terms of the extreme value distributions of volume averaged FIPs. Grain averaged FIP values effectively mitigate mesh sensitivity, but they smear out variability within grains. Furthermore, volume averaging over bands that encompass critical transgranular slip planes appear to present the most attractive approach to mitigate mesh sensitivity while preserving variability within grains.« less

  16. Microstructure and Mesh Sensitivities of Mesoscale Surrogate Driving Force Measures for Transgranular Fatigue Cracks in Polycrystals

    SciTech Connect (OSTI)

    Castelluccio, Gustavo M.; McDowell, David L.

    2015-05-22

    The number of cycles required to form and grow microstructurally small fatigue cracks in metals exhibits substantial variability, particularly for low applied strain amplitudes. This variability is commonly attributed to the heterogeneity of cyclic plastic deformation within the microstructure, and presents a challenge to minimum life design of fatigue resistant components. Our paper analyzes sources of variability that contribute to the driving force of transgranular fatigue cracks within nucleant grains. We also employ crystal plasticity finite element simulations that explicitly render the polycrystalline microstructure and Fatigue Indicator Parameters (FIPs) averaged over different volume sizes and shapes relative to the anticipated fatigue damage process zone. Volume averaging is necessary to both achieve description of a finite fatigue damage process zone and to regularize mesh dependence in simulations. Furthermore, results from constant amplitude remote applied straining are characterized in terms of the extreme value distributions of volume averaged FIPs. Grain averaged FIP values effectively mitigate mesh sensitivity, but they smear out variability within grains. Volume averaging over bands that encompass critical transgranular slip planes appear to present the most attractive approach to mitigate mesh sensitivity while preserving variability within grains.

  17. Spatial organization and correlation properties quantify structural changes on mesoscale of parenchymatous plant tissue

    SciTech Connect (OSTI)

    Valous, N. A.; Delgado, A.; Sun, D.-W.; Drakakis, K.

    2014-02-14

    The study of plant tissue parenchyma's intercellular air spaces contributes to the understanding of anatomy and physiology. This is challenging due to difficulty in making direct measurements of the pore space and the complex mosaic of parenchymatous tissue. The architectural complexity of pore space has shown that single geometrical measurements are not sufficient for characterization. The inhomogeneity of distribution depends not only on the percentage content of phase, but also on how the phase fills the space. The lacunarity morphometric, as multiscale measure, provides information about the distribution of gaps that correspond to degree of spatial organization in parenchyma. Additionally, modern theories have suggested strategies, where the focus has shifted from the study of averages and histograms to the study of patterns in data fluctuations. Detrended fluctuation analysis provides information on the correlation properties of the parenchyma at different spatial scales. The aim is to quantify (with the aid of the aforementioned metrics), the mesostructural changes—that occur from one cycle of freezing and thawing—in the void phase of pome fruit parenchymatous tissue, acquired with X-ray microcomputed tomography. Complex systems methods provide numerical indices and detailed insights regarding the freezing-induced modifications upon the arrangement of cells and voids. These structural changes have the potential to lead to physiological disorders. The work can further stimulate interest for the analysis of internal plant tissue structures coupled with other physico-chemical processes or phenomena.

  18. Microstructure and mesh sensitivities of mesoscale surrogate driving force measures for transgranular fatigue cracks in polycrystals

    SciTech Connect (OSTI)

    Castelluccio, Gustavo M.; McDowell, David L.

    2015-05-22

    The number of cycles required to form and grow microstructurally small fatigue cracks in metals exhibits substantial variability, particularly for low applied strain amplitudes. This variability is commonly attributed to the heterogeneity of cyclic plastic deformation within the microstructure, and presents a challenge to minimum life design of fatigue resistant components. Our paper analyzes sources of variability that contribute to the driving force of transgranular fatigue cracks within nucleant grains. We also employ crystal plasticity finite element simulations that explicitly render the polycrystalline microstructure and Fatigue Indicator Parameters (FIPs) averaged over different volume sizes and shapes relative to the anticipated fatigue damage process zone. Volume averaging is necessary to both achieve description of a finite fatigue damage process zone and to regularize mesh dependence in simulations. Furthermore, results from constant amplitude remote applied straining are characterized in terms of the extreme value distributions of volume averaged FIPs. Grain averaged FIP values effectively mitigate mesh sensitivity, but they smear out variability within grains. Furthermore, volume averaging over bands that encompass critical transgranular slip planes appear to present the most attractive approach to mitigate mesh sensitivity while preserving variability within grains.

  19. Electric-field-induced local and mesoscale structural changes in polycrystalline dielectrics and ferroelectrics

    SciTech Connect (OSTI)

    Usher, Tedi -Marie; Levin, Igor; Daniels, John E.; Jones, Jacob L.

    2015-10-01

    In this study, the atomic-scale response of dielectrics/ferroelectrics to electric fields is central to their functionality. Here we introduce an in situ characterization method that reveals changes in the local atomic structure in polycrystalline materials under fields. The method employs atomic pair distribution functions (PDFs), determined from X-ray total scattering that depends on orientation relative to the applied field, to probe structural changes over length scales from sub-Ångstrom to several nanometres. The PDF is sensitive to local ionic displacements and their short-range order, a key uniqueness relative to other techniques. The method is applied to representative ferroelectrics, BaTiO3 and Na½Bi½TiO3, and dielectric SrTiO3. For Na½Bi½TiO3, the results reveal an abrupt field-induced monoclinic to rhombohedral phase transition, accompanied by ordering of the local Bi displacements and reorientation of the nanoscale ferroelectric domains. For BaTiO3 and SrTiO3, the local/nanoscale structural changes observed in the PDFs are dominated by piezoelectric lattice strain and ionic polarizability, respectively.

  20. Electric-field-induced local and mesoscale structural changes in polycrystalline dielectrics and ferroelectrics

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

    Usher, Tedi -Marie; Levin, Igor; Daniels, John E.; Jones, Jacob L.

    2015-10-01

    In this study, the atomic-scale response of dielectrics/ferroelectrics to electric fields is central to their functionality. Here we introduce an in situ characterization method that reveals changes in the local atomic structure in polycrystalline materials under fields. The method employs atomic pair distribution functions (PDFs), determined from X-ray total scattering that depends on orientation relative to the applied field, to probe structural changes over length scales from sub-Ångstrom to several nanometres. The PDF is sensitive to local ionic displacements and their short-range order, a key uniqueness relative to other techniques. The method is applied to representative ferroelectrics, BaTiO3 and Na½Bi½TiO3,more » and dielectric SrTiO3. For Na½Bi½TiO3, the results reveal an abrupt field-induced monoclinic to rhombohedral phase transition, accompanied by ordering of the local Bi displacements and reorientation of the nanoscale ferroelectric domains. For BaTiO3 and SrTiO3, the local/nanoscale structural changes observed in the PDFs are dominated by piezoelectric lattice strain and ionic polarizability, respectively.« less

  1. ARM - Events Article

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

    July 31, 2007 [Events] Second International African Monsoon Multidisciplinary Analyses (AMMA) Conference Abstracts Due August 15 Bookmark and Share The Second International AMMA Conference will take place in Karlsruhe, Germany, November 26-30. Abstracts will be accepted in English and French until August 15. The conference aims to bring together researchers from around the world working on the Western African monsoon and its impacts, to review ongoing research and modeling activities, and to

  2. Predictive Maturity of Multi-Scale Simulation Models for Fuel Performance

    SciTech Connect (OSTI)

    Atamturktur, Sez; Unal, Cetin; Hemez, Francois; Williams, Brian; Tome, Carlos

    2015-03-16

    The project proposed to provide a Predictive Maturity Framework with its companion metrics that (1) introduce a formalized, quantitative means to communicate information between interested parties, (2) provide scientifically dependable means to claim completion of Validation and Uncertainty Quantification (VU) activities, and (3) guide the decision makers in the allocation of Nuclear Energy’s resources for code development and physical experiments. The project team proposed to develop this framework based on two complimentary criteria: (1) the extent of experimental evidence available for the calibration of simulation models and (2) the sophistication of the physics incorporated in simulation models. The proposed framework is capable of quantifying the interaction between the required number of physical experiments and degree of physics sophistication. The project team has developed this framework and implemented it with a multi-scale model for simulating creep of a core reactor cladding. The multi-scale model is composed of the viscoplastic self-consistent (VPSC) code at the meso-scale, which represents the visco-plastic behavior and changing properties of a highly anisotropic material and a Finite Element (FE) code at the macro-scale to represent the elastic behavior and apply the loading. The framework developed takes advantage of the transparency provided by partitioned analysis, where independent constituent codes are coupled in an iterative manner. This transparency allows model developers to better understand and remedy the source of biases and uncertainties, whether they stem from the constituents or the coupling interface by exploiting separate-effect experiments conducted within the constituent domain and integral-effect experiments conducted within the full-system domain. The project team has implemented this procedure with the multi- scale VPSC-FE model and demonstrated its ability to improve the predictive capability of the model. Within this

  3. Load Model Data Tool

    SciTech Connect (OSTI)

    David Chassin, Pavel Etingov

    2013-04-30

    The LMDT software automates the process of the load composite model data preparation in the format supported by the major power system software vendors (GE and Siemens). Proper representation of the load composite model in power system dynamic analysis is very important. Software tools for power system simulation like GE PSLF and Siemens PSSE already include algorithms for the load composite modeling. However, these tools require that the input information on composite load to be provided in custom formats. Preparation of this data is time consuming and requires multiple manual operations. The LMDT software enables to automate this process. Software is designed to generate composite load model data. It uses the default load composition data, motor information, and bus information as an input. Software processes the input information and produces load composition model. Generated model can be stored in .dyd format supported by GE PSLF package or .dyr format supported by Siemens PSSE package.

  4. The model coupling toolkit.

    SciTech Connect (OSTI)

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

    2001-04-13

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

  5. Load Model Data Tool

    Energy Science and Technology Software Center (OSTI)

    2013-04-30

    The LMDT software automates the process of the load composite model data preparation in the format supported by the major power system software vendors (GE and Siemens). Proper representation of the load composite model in power system dynamic analysis is very important. Software tools for power system simulation like GE PSLF and Siemens PSSE already include algorithms for the load composite modeling. However, these tools require that the input information on composite load to bemore » provided in custom formats. Preparation of this data is time consuming and requires multiple manual operations. The LMDT software enables to automate this process. Software is designed to generate composite load model data. It uses the default load composition data, motor information, and bus information as an input. Software processes the input information and produces load composition model. Generated model can be stored in .dyd format supported by GE PSLF package or .dyr format supported by Siemens PSSE package.« less

  6. AREST model description

    SciTech Connect (OSTI)

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

    1993-11-01

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

  7. Modeling & Simulation publications

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

    Modeling and Simulation in the Chemical Sciences » Modeling & Simulation Publications Modeling & Simulation publications Research into alternative forms of energy, especially energy security, is one of the major national security imperatives of this century. Get Expertise David Harradine Physical Chemistry and Applied Spectroscopy Email Josh Smith Chemistry Email The inherent knowledge of transformation has beguiled sorcerers and scientists alike. D.A. Horner, F. Lambert, J.D. Kress,

  8. Liftoff Model for MELCOR.

    SciTech Connect (OSTI)

    Young, Michael F.

    2015-07-01

    Aerosol particles that deposit on surfaces may be subsequently resuspended by air flowing over the surface. A review of models for this liftoff process is presented and compared to available data. Based on this review, a model that agrees with existing data and is readily computed is presented for incorporation into a system level code such as MELCOR. Liftoff Model for MELCOR July 2015 4 This page is intentionally blank

  9. Theory, Modeling and Computation

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

    Theory, Modeling and Computation Theory, Modeling and Computation The sophistication of modeling and simulation will be enhanced not only by the wealth of data available from MaRIE but by the increased computational capacity made possible by the advent of extreme computing. CONTACT Jack Shlachter (505) 665-1888 Email Extreme Computing to Power Accurate Atomistic Simulations Advances in high-performance computing and theory allow longer and larger atomistic simulations than currently possible.

  10. Advanced Target Effects Modeling

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

    Advanced Target Effects Modeling for Ion Accelerators and other High-Energy-Density ... ature effects, e.g., surface tension and target fragmentation, that are not generally ...

  11. Sandia Energy Modeling

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

    ?p34831 http:energy.sandia.govwave-energy-device-modeling-developing-a-117-scaled-modelfeed 0 New Small Business Voucher Pilot Opens http:energy.sandia.gov...

  12. The Standard Model

    ScienceCinema (OSTI)

    Lincoln, Don

    2014-08-12

    Fermilab scientist Don Lincoln describes the Standard Model of particle physics, covering both the particles that make up the subatomic realm and the forces that govern them.

  13. EIN Cash Flow Model

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

    EIN Cash Flow Model Energy Independence Now (EIN) Objectives Identify financial risks in early hydrogen infrastructure systems and illustrate hydrogen station cash flows under a ...

  14. Sandia Energy - Modeling

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

    systems. The engine combustion modeling is focused on developing Large Eddy Simulation (LES). LES is being used with closely coupled key target experiments to reveal new...

  15. Global Climate Models

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

    Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable ... Climate & Earth Systems Climate Measurement & Modeling Arctic Climate Measurements Global ...

  16. Scale Models & Wind Turbines

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

    Turbines * Readings about Cape Wind and other offshore and onshore siting debates for wind farms * Student Worksheet * A number of scale model items: Ken, Barbie or other dolls...

  17. Photovoltaics Business Models

    SciTech Connect (OSTI)

    Frantzis, L.; Graham, S.; Katofsky, R.; Sawyer, H.

    2008-02-01

    This report summarizes work to better understand the structure of future photovoltaics business models and the research, development, and demonstration required to support their deployment.

  18. Multifamily Envelope Leakage Model

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

    a solution Steven Winter Associates, Inc. 2013 Collect data Find significant variables Analyze patterns in the data Create a final model NEW YORK, NY | WASHINGTON, DC | ...

  19. Model Arbitration Provision

    Broader source: Energy.gov [DOE]

    The attached "GC Guidance: Model Arbitration Provision" is issued for use by Contracting Officers for M&O contracts as needed.

  20. Multifamily Envelope Leakage Model

    SciTech Connect (OSTI)

    Faakye, O.; Griffiths, D.

    2015-05-01

    The objective of the 2013 research project was to develop the model for predicting fully guarded test results (FGT), using unguarded test data and specific building features of apartment units. The model developed has a coefficient of determination R2 value of 0.53 with a root mean square error (RMSE) of 0.13. Both statistical metrics indicate that the model is relatively strong. When tested against data that was not included in the development of the model, prediction accuracy was within 19%, which is reasonable given that seasonal differences in blower door measurements can vary by as much as 25%.

  1. integrated-transportation-models

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

    support a wider application of integrated transportation models, especially focusing on travel demand and network ... irrevocable worldwide license in said article to ...

  2. Project Evaluation Models

    Office of Environmental Management (EM)

    ... to evaluate its performance and lowest cost of energy * Uses hourly resource data for wind and solar Renewable Energy Options * Models existing generation (Grid, backup ...

  3. Market Allocation (MARKAL) Model

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

    Key Attributes & Strengths Analysis is conducted in the context of overall U.S. energy supply and demand. The model incorporates learning curves and scale economies for cost ...

  4. The Standard Model

    SciTech Connect (OSTI)

    Lincoln, Don

    2012-10-02

    Fermilab scientist Don Lincoln describes the Standard Model of particle physics, covering both the particles that make up the subatomic realm and the forces that govern them.

  5. VISION Model: Description

    SciTech Connect (OSTI)

    2009-01-18

    Description of VISION model, which is used to estimate the impact of highway vehicle technologies and fuels on energy use and carbon emissions to 2050.

  6. HTL Model Development

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

    Northwest National Laboratory This presentation does not contain any proprietary, confidential, or otherwise restricted information Goal Statement for HTL Model 2 GOAL: Enable ...

  7. Reference Model Project (RMP)

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

    ... Reference Model 5: Oscillating Surge Wave Energy Converter. NRELTP-5000-62861. Golden, CO, National Renewable Energy Laboratory (NREL). January 2015. Power Conversion Chain Design ...

  8. Mixed Solvent Electrolyte Model

    Broader source: Energy.gov [DOE]

    With assistance from AMO, OLI Systems, Inc., developed the mixed-solvent electrolyte model, a comprehensive physical property package that can predict the properties of electrolyte systems ranging...

  9. Sandia Energy - Reference Model Documents

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

    Documents Home Stationary Power Energy Conversion Efficiency Water Power Reference Model Project (RMP) Reference Model Documents Reference Model DocumentsTara Camacho-Lopez2015-05-...

  10. WEC Model Development at Sandia

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

    ... Designs WEC Farm Hydrodynamic Modeling WEC Farm Environmental Modeling WEC Farm Power Modeling Wave Energy Development Roadmap: WEC Farm TRL 56, 78 & 9 Note: All specified flows ...

  11. Biosphere Process Model Report

    SciTech Connect (OSTI)

    J. Schmitt

    2000-05-25

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

  12. Canister Model, Systems Analysis

    Energy Science and Technology Software Center (OSTI)

    1993-09-29

    This packges provides a computer simulation of a systems model for packaging nuclear waste and spent nuclear fuel in canisters. The canister model calculates overall programmatic cost, number of canisters, and fuel and waste inventories for the Idaho Chemical Processing Plant (other initial conditions can be entered).

  13. Stereolithography models. Final report

    SciTech Connect (OSTI)

    Smith, R.E.

    1995-03-01

    This report describes the first stereolithographic models made, which proved in a new release of ProEngineer software (Parametric Technologies, or PTC) and 3D Systems (Valencia, California) software for the SLA 250 machine. They are a model of benzene and the {alpha}-carbon backbone of the variable region of an antibody.

  14. Modeling for Insights

    SciTech Connect (OSTI)

    Jacob J. Jacobson; Gretchen Matthern

    2007-04-01

    System Dynamics is a computer-aided approach to evaluating the interrelationships of different components and activities within complex systems. Recently, System Dynamics models have been developed in areas such as policy design, biological and medical modeling, energy and the environmental analysis, and in various other areas in the natural and social sciences. The real power of System Dynamic modeling is gaining insights into total system behavior as time, and system parameters are adjusted and the effects are visualized in real time. System Dynamic models allow decision makers and stakeholders to explore long-term behavior and performance of complex systems, especially in the context of dynamic processes and changing scenarios without having to wait decades to obtain field data or risk failure if a poor management or design approach is used. The Idaho National Laboratory recently has been developing a System Dynamic model of the US Nuclear Fuel Cycle. The model is intended to be used to identify and understand interactions throughout the entire nuclear fuel cycle and suggest sustainable development strategies. This paper describes the basic framework of the current model and presents examples of useful insights gained from the model thus far with respect to sustainable development of nuclear power.

  15. VENTILATION MODEL REPORT

    SciTech Connect (OSTI)

    V. Chipman

    2002-10-31

    The purpose of the Ventilation Model is to simulate the heat transfer processes in and around waste emplacement drifts during periods of forced ventilation. The model evaluates the effects of emplacement drift ventilation on the thermal conditions in the emplacement drifts and surrounding rock mass, and calculates the heat removal by ventilation as a measure of the viability of ventilation to delay the onset of peak repository temperature and reduce its magnitude. The heat removal by ventilation is temporally and spatially dependent, and is expressed as the fraction of heat carried away by the ventilation air compared to the fraction of heat produced by radionuclide decay. One minus the heat removal is called the wall heat fraction, or the remaining amount of heat that is transferred via conduction to the surrounding rock mass. Downstream models, such as the ''Multiscale Thermohydrologic Model'' (BSC 2001), use the wall heat fractions as outputted from the Ventilation Model to initialize their postclosure analyses.

  16. Integrated Environmental Control Model

    Energy Science and Technology Software Center (OSTI)

    1999-09-03

    IECM is a powerful multimedia engineering software program for simulating an integrated coal-fired power plant. It provides a capability to model various conventional and advanced processes for controlling air pollutant emissions from coal-fired power plants before, during, or after combustion. The principal purpose of the model is to calculate the performance, emissions, and cost of power plant configurations employing alternative environmental control methods. The model consists of various control technology modules, which may be integratedmore » into a complete utility plant in any desired combination. In contrast to conventional deterministic models, the IECM offers the unique capability to assign probabilistic values to all model input parameters, and to obtain probabilistic outputs in the form of cumulative distribution functions indicating the likelihood of dofferent costs and performance results. A Graphical Use Interface (GUI) facilitates the configuration of the technologies, entry of data, and retrieval of results.« less

  17. XAFS Model Compound Library

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

    Newville, Matthew

    The XAFS Model Compound Library contains XAFS data on model compounds. The term "model" compounds refers to compounds of homogeneous and well-known crystallographic or molecular structure. Each data file in this library has an associated atoms.inp file that can be converted to a feff.inp file using the program ATOMS. (See the related Searchable Atoms.inp Archive at http://cars9.uchicago.edu/~newville/adb/) This Library exists because XAFS data on model compounds is useful for several reasons, including comparing to unknown data for "fingerprinting" and testing calculations and analysis methods. The collection here is currently limited, but is growing. The focus to date has been on inorganic compounds and minerals of interest to the geochemical community. [Copied, with editing, from http://cars9.uchicago.edu/~newville/ModelLib/

  18. Varicella infection modeling.

    SciTech Connect (OSTI)

    Jones, Katherine A.; Finley, Patrick D.; Moore, Thomas W.; Nozick, Linda Karen; Martin, Nathaniel; Bandlow, Alisa; Detry, Richard Joseph; Evans, Leland B.; Berger, Taylor Eugen

    2013-09-01

    Infectious diseases can spread rapidly through healthcare facilities, resulting in widespread illness among vulnerable patients. Computational models of disease spread are useful for evaluating mitigation strategies under different scenarios. This report describes two infectious disease models built for the US Department of Veteran Affairs (VA) motivated by a Varicella outbreak in a VA facility. The first model simulates disease spread within a notional contact network representing staff and patients. Several interventions, along with initial infection counts and intervention delay, were evaluated for effectiveness at preventing disease spread. The second model adds staff categories, location, scheduling, and variable contact rates to improve resolution. This model achieved more accurate infection counts and enabled a more rigorous evaluation of comparative effectiveness of interventions.

  19. Criticality Model Report

    SciTech Connect (OSTI)

    J.M. Scaglione

    2003-03-12

    The purpose of the ''Criticality Model Report'' is to validate the MCNP (CRWMS M&O 1998h) code's ability to accurately predict the effective neutron multiplication factor (k{sub eff}) for a range of conditions spanned by various critical configurations representative of the potential configurations commercial reactor assemblies stored in a waste package may take. Results of this work are an indication of the accuracy of MCNP for calculating eigenvalues, which will be used as input for criticality analyses for spent nuclear fuel (SNF) storage at the proposed Monitored Geologic Repository. The scope of this report is to document the development and validation of the criticality model. The scope of the criticality model is only applicable to commercial pressurized water reactor fuel. Valid ranges are established as part of the validation of the criticality model. This model activity follows the description in BSC (2002a).

  20. 1

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

    the Cloud Droplet Effective Radius Profile in Stratiform Clouds M. Ovtchinnikov and Y. L. Kogan Cooperative Institute for Mesoscale Meteorological Studies Norman, Oklahoma Introduction The droplet effective radius r e defined as ( ) ( ) ∫ ∫ = dr r n r dr r n r r 2 3 e , (1) where n(r) is the droplet size distribution (DSD). r e is an important parameter in cloud-radiation parameterizations in mesoscale and general circulation models. Although it is recognized that the vertical variations of

  1. Posters

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

    5 Posters Explicit Simulation of a Tropical Mesoscale Convective System G. D. Alexander and W. R. Cotton Colorado State University Fort Collins, Colorado Introduction We have used Colorado State University's Regional Atmospheric Modeling System (RAMS) to simulate the MCS observed during the ninth flight mission of the Equatorial Mesoscale Experiment (EMEX9). Research aircraft probed EMEX9 on 2-3 February 1987. Mapes and Houze (1992) and Mapes and Houze (1993) provided a detailed view of the

  2. Section 61

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

    Improved Treatment of Surface Evapotranspiration in a Mesoscale Numerical Model C-R Chen and P. J. Lamb Cooperative Institute for Mesoscale Meteorological Studies and School of Meteorology The University of Oklahoma Norman, Oklahoma Surface evapotranspiration can affect the formation processes overestimated or underestimated by the PM method is mainly of low-level clouds and even precipitation. Accordingly, in controlled by the setting of stomatal resistance. Less surface daily short- and

  3. SPAR Model Structural Efficiencies

    SciTech Connect (OSTI)

    John Schroeder; Dan Henry

    2013-04-01

    The Nuclear Regulatory Commission (NRC) and the Electric Power Research Institute (EPRI) are supporting initiatives aimed at improving the quality of probabilistic risk assessments (PRAs). Included in these initiatives are the resolution of key technical issues that are have been judged to have the most significant influence on the baseline core damage frequency of the NRC’s Standardized Plant Analysis Risk (SPAR) models and licensee PRA models. Previous work addressed issues associated with support system initiating event analysis and loss of off-site power/station blackout analysis. The key technical issues were: • Development of a standard methodology and implementation of support system initiating events • Treatment of loss of offsite power • Development of standard approach for emergency core cooling following containment failure Some of the related issues were not fully resolved. This project continues the effort to resolve outstanding issues. The work scope was intended to include substantial collaboration with EPRI; however, EPRI has had other higher priority initiatives to support. Therefore this project has addressed SPAR modeling issues. The issues addressed are • SPAR model transparency • Common cause failure modeling deficiencies and approaches • Ac and dc modeling deficiencies and approaches • Instrumentation and control system modeling deficiencies and approaches

  4. Sandia Material Model Driver

    Energy Science and Technology Software Center (OSTI)

    2005-09-28

    The Sandia Material Model Driver (MMD) software package allows users to run material models from a variety of different Finite Element Model (FEM) codes in a standalone fashion, independent of the host codes. The MMD software is designed to be run on a variety of different operating system platforms as a console application. Initial development efforts have resulted in a package that has been shown to be fast, convenient, and easy to use, with substantialmore » growth potential.« less

  5. Perspectives on multifield models

    SciTech Connect (OSTI)

    Banerjee, S.

    1997-07-01

    Multifield models for prediction of nuclear reactor thermalhydraulics are reviewed from the viewpoint of their structure and requirements for closure relationships. Their strengths and weaknesses are illustrated with examples, indicating that they are effective in predicting separated and distributed flow regimes, but have problems for flows with large oscillations. Needs for multifield models are also discussed in the context of reactor operations and accident simulations. The highest priorities for future developments appear to relate to closure relationships for three-dimensional multifield models with emphasis on those needed for calculations of phase separation and entrainment/de-entrainment in complex geometries.

  6. Modeling EERE Deployment Programs

    SciTech Connect (OSTI)

    Cort, Katherine A.; Hostick, Donna J.; Belzer, David B.; Livingston, Olga V.

    2007-11-08

    The purpose of this report is to compile information and conclusions gathered as part of three separate tasks undertaken as part of the overall project, “Modeling EERE Deployment Programs,” sponsored by the Planning, Analysis, and Evaluation office within the Department of Energy’s Office of Energy Efficiency and Renewable Energy (EERE). The purpose of the project was to identify and characterize the modeling of deployment programs within the EERE Technology Development (TD) programs, address improvements to modeling in the near term, and note gaps in knowledge where future research is needed.

  7. Model Wind Ordinance

    Broader source: Energy.gov [DOE]

    In July, 2008 the North Carolina Wind Working Group, a coalition of state government, non-profit and wind industry organizations, published a model wind ordinance to provide guidance for...

  8. Community Atmosphere Model

    Energy Science and Technology Software Center (OSTI)

    2004-10-18

    The Community Atmosphere Model (CAM) is an atmospheric general circulation model that solves equations for atmospheric dynamics and physics. CAM is an outgrowth of the Community Climate Model at the National Center for Atmospheric Research (NCAR) and was developed as a joint collaborative effort between NCAR and several DOE laboratories, including LLNL. CAM contains several alternative approaches for advancing the atmospheric dynamics. One of these approaches uses a finite-volume method originally developed by personnel atmore » NASNGSFC, We have developed a scalable version of the finite-volume solver for massively parallel computing systems. FV-CAM is meant to be used in conjunction with the Community Atmosphere Model. It is not stand-alone.« less

  9. Models and Datasets

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

    iteration by iteration. RevSim is an Excel 2010 based model. Much of the logic is VBA code (Visual Basic for Applications); the user does not need to know VBA to run the...

  10. Refining climate models

    ScienceCinema (OSTI)

    Warren, Jeff; Iversen, Colleen; Brooks, Jonathan; Ricciuto, Daniel

    2014-06-26

    Using dogwood trees, Oak Ridge National Laboratory researchers are gaining a better understanding of the role photosynthesis and respiration play in the atmospheric carbon dioxide cycle. Their findings will aid computer modelers in improving the accuracy of climate simulations.

  11. HOMER® Energy Modeling Software

    Energy Science and Technology Software Center (OSTI)

    2000-12-31

    The HOMER® energy modeling software is a tool for designing and analyzing hybrid power systems, which contain a mix of conventional generators, cogeneration, wind turbines, solar photovoltaic, hydropower, batteries, fuel cells, hydropower, biomass and other inputs.

  12. System Dynamics Model | NISAC

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

    Dynamics Model content top Chemical Supply Chain Analysis Posted by Admin on Mar 1, 2012 in | Comments 0 comments Chemical Supply Chain Analysis NISAC has developed a range of...

  13. Battery Life Predictive Model

    Energy Science and Technology Software Center (OSTI)

    2009-12-31

    The Software consists of a model used to predict battery capacity fade and resistance growth for arbitrary cycling and temperature profiles. It allows the user to extrapolate from experimental data to predict actual life cycle.

  14. HyPRO Model

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

    static model based on Microsoft Excel and MatLab platforms, and links sub-modules of ... Analysis website (for downloading), but users must have Matlab for computing purposes

  15. Customer Prepay Impact Model

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

    Instructions for Use Inputs 1. To use this model, you will need to unprotect the workbook, by going to Select "Unprotect Workbook", and enter the password "bpa". 2. The Input...

  16. Economic Model | NISAC

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

    NISACEconomic Model content top Chemical Supply Chain Analysis Posted by Admin on Mar 1, 2012 in | Comments 0 comments Chemical Supply Chain Analysis NISAC has developed a range of ...

  17. Renewable Model Documentation

    Gasoline and Diesel Fuel Update (EIA)

    sites is calculated by constructing a model of a representative 100-acre by 50-feet deep landfill site and by applying methane emission factors for high, low, and very low...

  18. Refining climate models

    SciTech Connect (OSTI)

    Warren, Jeff; Iversen, Colleen; Brooks, Jonathan; Ricciuto, Daniel

    2012-10-31

    Using dogwood trees, Oak Ridge National Laboratory researchers are gaining a better understanding of the role photosynthesis and respiration play in the atmospheric carbon dioxide cycle. Their findings will aid computer modelers in improving the accuracy of climate simulations.

  19. Enterprise Risk Management Model

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

    Model The Enterprise Risk Management (ERM) Model is a system used to analyze the cost and benefit of addressing risks inherent in the work performed by the Department of Energy. This system measures risk using a combination of qualitative and quantitative methods to set a standard method for analyzing risk across the many functions within the department. Risks generally fall within five categories regardless ofthe subject matter ofthe subsystem. These categories are (1) risks to people, (2)

  20. Distributed generation systems model

    SciTech Connect (OSTI)

    Barklund, C.R.

    1994-12-31

    A slide presentation is given on a distributed generation systems model developed at the Idaho National Engineering Laboratory, and its application to a situation within the Idaho Power Company`s service territory. The objectives of the work were to develop a screening model for distributed generation alternatives, to develop a better understanding of distributed generation as a utility resource, and to further INEL`s understanding of utility concerns in implementing technological change.

  1. OCH Strap Model Test

    SciTech Connect (OSTI)

    Weber, K.; /Fermilab

    1987-08-26

    The OCH Model was stacked using the appropriate spacers between each absorber plate. Steel bars measuring 3-inch wide by 1/4-inch thick were welded, using 1/8-inch fillet weld, along all the corner edges, except the outer radius edges. On the outer radius, the straps were bolted to the end plates and to plates 9 and 17. The straps on the outer radius were also set in towards the center by approximately 3-inches. The spacers were then knocked out. Twelve strain gauges were mounted on the model. See figure 1 and the OCH strap Model log book for locations. Each rosette was centered in the gap between two absorber plates. The finite element plate model can predict the primary deformations of the OH module in both the cantilever and crushing modes to within 11% of the measured values. The primary stresses away from the support plate for the cantilever mode can be predicted to within 13% by this model. Near the support plate where large shear stresses exists, ANSYS will overpredict the measured stresses substantially. This is probably due to the models inherent inability to allow for shear stress concentrations at the welds. The same over-prediction was seen in the side straps during the OH crush test comparison and is probably attributable to the high shear force in this mode. The simple finite element plate model will provide suitable model of OH module stiffness for use in the analysis of the module assembly. The calculation of shear stresses can be improved by applying the ANSYS calculated inter-element forces to traditional weld strength calculations

  2. Theory Modeling and Simulation

    SciTech Connect (OSTI)

    Shlachter, Jack

    2012-08-23

    Los Alamos has a long history in theory, modeling and simulation. We focus on multidisciplinary teams that tackle complex problems. Theory, modeling and simulation are tools to solve problems just like an NMR spectrometer, a gas chromatograph or an electron microscope. Problems should be used to define the theoretical tools needed and not the other way around. Best results occur when theory and experiments are working together in a team.

  3. Learning planar ising models

    SciTech Connect (OSTI)

    Johnson, Jason K; Chertkov, Michael; Netrapalli, Praneeth

    2010-11-12

    Inference and learning of graphical models are both well-studied problems in statistics and machine learning that have found many applications in science and engineering. However, exact inference is intractable in general graphical models, which suggests the problem of seeking the best approximation to a collection of random variables within some tractable family of graphical models. In this paper, we focus our attention on the class of planar Ising models, for which inference is tractable using techniques of statistical physics [Kac and Ward; Kasteleyn]. Based on these techniques and recent methods for planarity testing and planar embedding [Chrobak and Payne], we propose a simple greedy algorithm for learning the best planar Ising model to approximate an arbitrary collection of binary random variables (possibly from sample data). Given the set of all pairwise correlations among variables, we select a planar graph and optimal planar Ising model defined on this graph to best approximate that set of correlations. We present the results of numerical experiments evaluating the performance of our algorithm.

  4. Multiscale Thermohydrologic Model

    SciTech Connect (OSTI)

    T. Buscheck

    2004-10-12

    The purpose of the multiscale thermohydrologic model (MSTHM) is to predict the possible range of thermal-hydrologic conditions, resulting from uncertainty and variability, in the repository emplacement drifts, including the invert, and in the adjoining host rock for the repository at Yucca Mountain. Thus, the goal is to predict the range of possible thermal-hydrologic conditions across the repository; this is quite different from predicting a single expected thermal-hydrologic response. The MSTHM calculates the following thermal-hydrologic parameters: temperature, relative humidity, liquid-phase saturation, evaporation rate, air-mass fraction, gas-phase pressure, capillary pressure, and liquid- and gas-phase fluxes (Table 1-1). These thermal-hydrologic parameters are required to support ''Total System Performance Assessment (TSPA) Model/Analysis for the License Application'' (BSC 2004 [DIRS 168504]). The thermal-hydrologic parameters are determined as a function of position along each of the emplacement drifts and as a function of waste package type. These parameters are determined at various reference locations within the emplacement drifts, including the waste package and drip-shield surfaces and in the invert. The parameters are also determined at various defined locations in the adjoining host rock. The MSTHM uses data obtained from the data tracking numbers (DTNs) listed in Table 4.1-1. The majority of those DTNs were generated from the following analyses and model reports: (1) ''UZ Flow Model and Submodels'' (BSC 2004 [DIRS 169861]); (2) ''Development of Numerical Grids for UZ Flow and Transport Modeling'' (BSC 2004); (3) ''Calibrated Properties Model'' (BSC 2004 [DIRS 169857]); (4) ''Thermal Conductivity of the Potential Repository Horizon'' (BSC 2004 [DIRS 169854]); (5) ''Thermal Conductivity of the Non-Repository Lithostratigraphic Layers'' (BSC 2004 [DIRS 170033]); (6) ''Ventilation Model and Analysis Report'' (BSC 2004 [DIRS 169862]); (7) ''Heat Capacity

  5. Generic CSP Performance Model for NREL's System Advisor Model: Preprint

    SciTech Connect (OSTI)

    Wagner, M. J.; Zhu, G.

    2011-08-01

    The suite of concentrating solar power (CSP) modeling tools in NREL's System Advisor Model (SAM) includes technology performance models for parabolic troughs, power towers, and dish-Stirling systems. Each model provides the user with unique capabilities that are catered to typical design considerations seen in each technology. Since the scope of the various models is generally limited to common plant configurations, new CSP technologies, component geometries, and subsystem combinations can be difficult to model directly in the existing SAM technology models. To overcome the limitations imposed by representative CSP technology models, NREL has developed a 'Generic Solar System' (GSS) performance model for use in SAM. This paper discusses the formulation and performance considerations included in this model and verifies the model by comparing its results with more detailed models.

  6. Climate Model Output Rewriter

    Energy Science and Technology Software Center (OSTI)

    2004-06-21

    CMOR comprises a set of FORTRAN 90 dunctions that can be used to produce CF-compliant netCDF files. The structure of the files created by CMOR and the metadata they contain fulfill the requirements of many of the climate community’s standard model experiments (which are referred to here as "MIPS", which stands for "model intercomparison project", including, for example, AMIP, CMIP, CFMIP, PMIP, APE, and IPCC scenario runs), CMOR was not designed to serve as anmore » all-purpose wfiter of CF-compliant netCDF files, but simply to reduce the effort required to prepare and manage MIP data. Although MIPs encourage systematic analysis of results across models, this is only easy to do if the model output is written in a common format with files structured similarly and with sufficient metadata uniformly stored according to a common standard. Individual modeling groups store their data in different ways. but if a group can read its own data with FORTRAN, then it should easily be able to transform the data, using CMOR, into the common format required by the MIPs, The adoption of CMOR as a standard code for exchanging climate data will facilitate participation in MIPs because after learning how to satisfy the output requirements of one MIP, it will be easy to prepare output for the other MIPs.« less

  7. Techno Economic Model

    Energy Science and Technology Software Center (OSTI)

    2010-04-01

    The Technoeconomic model is a computational model of a lignocellulosic biorefinery that can be used by industry to establish benchmarks of performance and risk-benefit analysis in order to assess the potential impact of cutting edge technologies. The model can be used to evaluate, guide, and optimize research efforts, biorefinery design, and process operation. The model will help to reduce the risk of commercial investment and development of biorefineries and help steer future research to thosemore » parts of the refining process in need of further developments for biofuels to be cost competitive. We have now aded modules for the following sections: feed handling, pretreatment, fermentation, product and water recovery, waste treatment, and steam/electricity generation. We have incorporated a kinetic model for microorganism growth and production of ethanol, inclouding toxin inhibition. For example, the feed handling section incorporates information regarding feedstock transport distance-dependent costs. The steam and electricity generation section now includes a turbogenerator that supplies power to be used by other unit operations and contains equations for efficiency calculations.« less

  8. Models for geothermal wells

    SciTech Connect (OSTI)

    Michaelides, E.E.

    1980-06-01

    The problem of two-phase flow pressure loss is examined in order to give an answer to the problem of determination of the wellhead conditions. For this purpose two models have been developed, the first based on the pattern structure of the flow and the second on the mixing length theory. The void fraction correlations and the transition conditions are presented in the first model as a means of estimating the pressure loss. Heat losses, and the effect of impurities are examined in detail. An expression for the critical flow conditions is also derived. The model is used to predict the available power at the wellhead under various conditions and an answer to the problem of well pumping is given. For the second model an outline of the mixing length theory and the boundary layer coordinates is given; a density distribution in the geothermal well is assumed and the equations for the pressure loss are derived by means of the entropy production function. Finally a comparison of the two models is made and their predictive power is tested against known well data. A brief comparison with the Denver Research Institute is also made.

  9. NREL: dGen: Distributed Generation Market Demand Model - Model...

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

    All technologies modeled within the dGen framework leverage a core database of highly resolved geospatial information and share algorithms for modeling DER economics, customer ...

  10. Turning Bayesian model averaging into Bayesian model combination...

    Office of Scientific and Technical Information (OSTI)

    Title: Turning Bayesian model averaging into Bayesian model combination Authors: Carroll, James 1 ; Monteith, Kristine 2 ; Seppi, Kevin 2 ; Martinez, Tony 2 + Show Author ...

  11. Accounting for Model Error in the Calibration of Physical Models

    Office of Scientific and Technical Information (OSTI)

    ... model error term in locations where key modeling assumptions and approximations are made ... to represent the truth o In this context, the data has no noise o Discrepancy ...

  12. Handling Model Error in the Calibration of Physical Models

    Office of Scientific and Technical Information (OSTI)

    ... model error term in locations where key modeling assumptions and approximations are made ... to represent the truth o In this context, the data has no noise o Discrepancy ...

  13. Critical Infrastructure Modeling System

    Energy Science and Technology Software Center (OSTI)

    2004-10-01

    The Critical Infrastructure Modeling System (CIMS) is a 3D modeling and simulation environment designed to assist users in the analysis of dependencies within individual infrastructure and also interdependencies between multiple infrastructures. Through visual cuing and textual displays, a use can evaluate the effect of system perturbation and identify the emergent patterns that evolve. These patterns include possible outage areas from a loss of power, denial of service or access, and disruption of operations. Method ofmore » Solution: CIMS allows the user to model a system, create an overlay of information, and create 3D representative images to illustrate key infrastructure elements. A geo-referenced scene, satellite, aerial images or technical drawings can be incorporated into the scene. Scenarios of events can be scripted, and the user can also interact during run time to alter system characteristics. CIMS operates as a discrete event simulation engine feeding a 3D visualization.« less

  14. Parametric Explosion Spectral Model

    SciTech Connect (OSTI)

    Ford, S R; Walter, W R

    2012-01-19

    Small underground nuclear explosions need to be confidently detected, identified, and characterized in regions of the world where they have never before occurred. We develop a parametric model of the nuclear explosion seismic source spectrum derived from regional phases that is compatible with earthquake-based geometrical spreading and attenuation. Earthquake spectra are fit with a generalized version of the Brune spectrum, which is a three-parameter model that describes the long-period level, corner-frequency, and spectral slope at high-frequencies. Explosion spectra can be fit with similar spectral models whose parameters are then correlated with near-source geology and containment conditions. We observe a correlation of high gas-porosity (low-strength) with increased spectral slope. The relationship between the parametric equations and the geologic and containment conditions will assist in our physical understanding of the nuclear explosion source.

  15. DEM Particle Fracture Model

    SciTech Connect (OSTI)

    Zhang, Boning; Herbold, Eric B.; Homel, Michael A.; Regueiro, Richard A.

    2015-12-01

    An adaptive particle fracture model in poly-ellipsoidal Discrete Element Method is developed. The poly-ellipsoidal particle will break into several sub-poly-ellipsoids by Hoek-Brown fracture criterion based on continuum stress and the maximum tensile stress in contacts. Also Weibull theory is introduced to consider the statistics and size effects on particle strength. Finally, high strain-rate split Hopkinson pressure bar experiment of silica sand is simulated using this newly developed model. Comparisons with experiments show that our particle fracture model can capture the mechanical behavior of this experiment very well, both in stress-strain response and particle size redistribution. The effects of density and packings o the samples are also studied in numerical examples.

  16. Progress in Initiator Modeling

    SciTech Connect (OSTI)

    Hrousis, C A; Christensen, J S

    2009-05-04

    There is great interest in applying magnetohydrodynamic (MHD) simulation techniques to the designs of electrical high explosive (HE) initiators, for the purpose of better understanding a design's sensitivities, optimizing its performance, and/or predicting its useful lifetime. Two MHD-capable LLNL codes, CALE and ALE3D, are being used to simulate the process of ohmic heating, vaporization, and plasma formation in the bridge of an initiator, be it an exploding bridgewire (EBW), exploding bridgefoil (EBF) or slapper type initiator. The initiation of the HE is simulated using Tarver Ignition & Growth reactive flow models. 1-D, 2-D and 3-D models have been constructed and studied. The models provide some intuitive explanation of the initiation process and are useful for evaluating the potential impact of identified aging mechanisms (such as the growth of intermetallic compounds or powder sintering). The end product of this work is a simulation capability for evaluating margin in proposed, modified or aged initiation system designs.

  17. 2-Stage Classification Modeling

    Energy Science and Technology Software Center (OSTI)

    1994-11-01

    CIRCUIT2.4 is used to design optimum two-stage classification configurations and operating conditions for energy conservation. It permits simulation of five basic grinding-classification circuits, including one single-stage and four two-stage classification arrangements. Hydrocyclones, spiral classifiers, and sieve band screens can be simulated, and the user may choose the combination of devices for the flowsheet simulation. In addition, the user may select from four classification modeling methods to achieve the goals of a simulation project using themore » most familiar concepts. Circuit performance is modeled based on classification parameters or equipment operating conditions. A modular approach was taken in designing the program, which allows future addition of other models with relatively minor changes.« less

  18. 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

    , we discuss the possible transition from traditional mean-field-type bistability and reaction kinetics for lower-pressure to multistability and enhanced fluctuation effects for moderate- or higher-pressure. Behavior in the latter regime reflects a stronger influence of adspecies interactions and also lower diffusivity in the higher-coverage mixed adlayer. We also analyze mesoscale spatiotemporal behavior including the propagation of reaction diffusion fronts between bistable reactive and inactive states, and associated nucleation-mediated transitions between these states. This behavior is controlled by complex surface mass transport processes, specifically chemical diffusion in mixed reactant adlayers for which we provide a precise theoretical formulation. The msLG models together with an appropriate treatment of chemical diffusivity enable equation-free heterogeneous coupled lattice-gas (HCLG) simulations of spatiotemporal behavior. In addition, msLG + HCLG modeling can describe coverage variations across polycrystalline catalysts surfaces, pressure variations across catalyst surfaces in microreactors, and could be incorporated into a multiphysics framework to describe mass and heat transfer limitations for high-pressure catalysis. (C) 2013 Elsevier Ltd. All rights reserved.

  19. Simple Modular LED Cost Model

    Broader source: Energy.gov [DOE]

    The LED Cost Model, developed by the DOE Cost Modeling Working Group, provides a simplified method for analyzing the manufacturing costs of an LED package. The model focuses on the major cost...

  20. Sandia Energy - PV Modeling & Analysis

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

    PV Modeling & Analysis Home Stationary Power Energy Conversion Efficiency Solar Energy Photovoltaics PV Modeling & Analysis PV Modeling & AnalysisTara Camacho-Lopez2015-05-11T20:03...

  1. On Reflexive Data Models

    SciTech Connect (OSTI)

    Petrov, S.

    2000-08-20

    An information system is reflexive if it stores a description of its current structure in the body of stored information and is acting on the base of this information. A data model is reflexive, if its language is meta-closed and can be used to build such a system. The need for reflexive data models in new areas of information technology applications is argued. An attempt to express basic notions related to information systems is made in the case when the system supports and uses meta-closed representation of the data.

  2. Macro-System Model Overview

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

    Macro System Model (MSM) (National Renewable Energy Laboratory) Objectives Perform rapid cross-cutting analysis that utilizes and links other models. Ensure all aspects of hydrogen pathway and cost analysis is included such as hydrogen purity, leakage, etc. Key Attributes & Strengths Easily and rapidly links modeling experts with DOE's other models that are included in the MSM. Platform, Requirements & Availability MSM is a static, cross-cutting model which links models from various

  3. Physics Beyond the Standard Model

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

    Physics Beyond the Standard Model 1663 Los Alamos science and technology magazine Latest Issue:October 2015 past issues All Issues submit Physics Beyond the Standard Model...

  4. Improved MK42 Melting Model

    SciTech Connect (OSTI)

    Tudor, A.A.

    2001-09-19

    An improved Mark 42 melting model has been defined for establishing confinement protection limits (CPLs). This report describes the new melting model and its application in computing CPLs.

  5. Reservoir Modeling Working Group Meeting

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

    Reservoir Modeling Working Group Meeting 2012 GEOTHERMAL TECHNOLOGIES PROGRAM PEER REVIEW ... History Past Meetings: March 2010 IPGT Modeling Working Group Meeting May 2010 GTP Peer ...

  6. Advanced Modeling for Particle Accelerators

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

    multiphysics, multi-bunch modeling of injectors, boosters, and debunchers for performance optimization. These applications include large-scale electromagnetic modeling of...

  7. COMMUTER Model | Open Energy Information

    Open Energy Info (EERE)

    computer model that estimates the travel and emissions impacts of transportation air quality programs focused on commuting. The model is particularly useful for programs...

  8. Simple ocean carbon cycle models

    SciTech Connect (OSTI)

    Caldeira, K.; Hoffert, M.I.; Siegenthaler, U.

    1994-02-01

    Simple ocean carbon cycle models can be used to calculate the rate at which the oceans are likely to absorb CO{sub 2} from the atmosphere. For problems involving steady-state ocean circulation, well calibrated ocean models produce results that are very similar to results obtained using general circulation models. Hence, simple ocean carbon cycle models may be appropriate for use in studies in which the time or expense of running large scale general circulation models would be prohibitive. Simple ocean models have the advantage of being based on a small number of explicit assumptions. The simplicity of these ocean models facilitates the understanding of model results.

  9. Beyond the Standard Model Theory

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

    Beyond the Standard Model Theory Beyond the Standard Model Understanding discoveries at the Energy, Intensity, and Cosmic Frontiers Get Expertise Rajan Gupta (505) 667-7664 Email ...

  10. Reference Model Development

    SciTech Connect (OSTI)

    Jepsen, Richard

    2011-11-02

    Presentation from the 2011 Water Peer Review in which principal investigator discusses project progress to develop a representative set of Reference Models (RM) for the MHK industry to develop baseline cost of energy (COE) and evaluate key cost component/system reduction pathways.

  11. Modeling the earth system

    SciTech Connect (OSTI)

    Ojima, D.

    1992-12-31

    The 1990 Global Change Institute (GCI) on Earth System Modeling is the third of a series organized by the Office for Interdisciplinary Earth Studies to look in depth at particular issues critical to developing a better understanding of the earth system. The 1990 GCI on Earth System Modeling was organized around three themes: defining critical gaps in the knowledge of the earth system, developing simplified working models, and validating comprehensive system models. This book is divided into three sections that reflect these themes. Each section begins with a set of background papers offering a brief tutorial on the subject, followed by working group reports developed during the institute. These reports summarize the joint ideas and recommendations of the participants and bring to bear the interdisciplinary perspective that imbued the institute. Since the conclusion of the 1990 Global Change Institute, research programs, nationally and internationally, have moved forward to implement a number of the recommendations made at the institute, and many of the participants have maintained collegial interactions to develop research projects addressing the needs identified during the two weeks in Snowmass.

  12. Wear-mechanism modelling

    SciTech Connect (OSTI)

    Ashby, M.F. . Dept. of Engineering)

    1993-03-01

    Goals of the program are to calculate the surface temperatures in dry sliding, develop a soft wear tester for ceramics, survey the wear mechanisms in brittle solids, and couple the temperature calculations with models to give wear maps for brittle solids. (DLC)

  13. Hawaii Gravity Model

    SciTech Connect (OSTI)

    Nicole Lautze

    2015-12-15

    Gravity model for the state of Hawaii. Data is from the following source: Flinders, A.F., Ito, G., Garcia, M.O., Sinton, J.M., Kauahikaua, J.P., and Taylor, B., 2013, Intrusive dike complexes, cumulate cores, and the extrusive growth of Hawaiian volcanoes: Geophysical Research Letters, v. 40, p. 3367–3373, doi:10.1002/grl.50633.

  14. Modeling the Hall Thruster

    SciTech Connect (OSTI)

    Fisch, N.J.; Fruchtman, A.

    1998-08-01

    The acceleration of the plasma in the Hall thruster to supersonic velocities is examined by the use of a steady state model. Flows that are smooth across the sonic transition plane are found. The possibility of generating flows in which the acceleration across the sonic plane is abrupt, is also studied.

  15. World Natural Gas Model

    Energy Science and Technology Software Center (OSTI)

    1994-12-01

    RAMSGAS, the Research and Development Analysis Modeling System World Natural Gas Model, was developed to support planning of unconventional gaseoues fuels research and development. The model is a scenario analysis tool that can simulate the penetration of unconventional gas into world markets for oil and gas. Given a set of parameter values, the model estimates the natural gas supply and demand for the world for the period from 1980 to 2030. RAMSGAS is based onmore » a supply/demand framwork and also accounts for the non-renewable nature of gas resources. The model has three fundamental components: a demand module, a wellhead production cost module, and a supply/demand interface module. The demand for gas is a product of total demand for oil and gas in each of 9 demand regions and the gas share. Demand for oil and gas is forecast from the base year of 1980 through 2030 for each demand region, based on energy growth rates and price-induced conservation. For each of 11 conventional and 19 unconventional gas supply regions, wellhead production costs are calculated. To these are added transportation and distribution costs estimates associated with moving gas from the supply region to each of the demand regions and any economic rents. Based on a weighted average of these costs and the world price of oil, fuel shares for gas and oil are computed for each demand region. The gas demand is the gas fuel share multiplied by the total demand for oil plus gas. This demand is then met from the available supply regions in inverse proportion to the cost of gas from each region. The user has almost complete control over the cost estimates for each unconventional gas source in each year and thus can compare contributions from unconventional resources under different cost/price/demand scenarios.« less

  16. DRI Model of the U.S. Economy -- Model Documentation:

    Reports and Publications (EIA)

    1993-01-01

    Provides documentation on Data Resources, Inc., DRI Model of the U.S. Economy and the DRI Personal Computer Input/Output Model. It also describes the theoretical basis, structure and functions of both DRI models; and contains brief descriptions of the models and their equations.

  17. GROUT HOPPER MODELING STUDY

    SciTech Connect (OSTI)

    Lee, S.

    2011-08-30

    The Saltstone facility has a grout hopper tank to provide agitator stirring of the Saltstone feed materials. The tank has about 300 gallon capacity to provide a larger working volume for the grout slurry to be held in case of a process upset, and it is equipped with a mechanical agitator, which is intended to keep the grout in motion and agitated so that it won't start to set up. The dry feeds and the salt solution are already mixed in the mixer prior to being transferred to the hopper tank. The hopper modeling study through this work will focus on fluid stirring and agitation, instead of traditional mixing in the literature, in order to keep the tank contents in motion during their residence time so that they will not be upset or solidified prior to transferring the grout to the Saltstone disposal facility. The primary objective of the work is to evaluate the flow performance for mechanical agitators to prevent vortex pull-through for an adequate stirring of the feed materials and to estimate an agitator speed which provides acceptable flow performance with a 45{sup o} pitched four-blade agitator. In addition, the power consumption required for the agitator operation was estimated. The modeling calculations were performed by taking two steps of the Computational Fluid Dynamics (CFD) modeling approach. As a first step, a simple single-stage agitator model with 45{sup o} pitched propeller blades was developed for the initial scoping analysis of the flow pattern behaviors for a range of different operating conditions. Based on the initial phase-1 results, the phase-2 model with a two-stage agitator was developed for the final performance evaluations. A series of sensitivity calculations for different designs of agitators and operating conditions have been performed to investigate the impact of key parameters on the grout hydraulic performance in a 300-gallon hopper tank. For the analysis, viscous shear was modeled by using the Bingham plastic approximation. Steady

  18. Drift Scale THM Model

    SciTech Connect (OSTI)

    J. Rutqvist

    2004-10-07

    This model report documents the drift scale coupled thermal-hydrological-mechanical (THM) processes model development and presents simulations of the THM behavior in fractured rock close to emplacement drifts. The modeling and analyses are used to evaluate the impact of THM processes on permeability and flow in the near-field of the emplacement drifts. The results from this report are used to assess the importance of THM processes on seepage and support in the model reports ''Seepage Model for PA Including Drift Collapse'' and ''Abstraction of Drift Seepage'', and to support arguments for exclusion of features, events, and processes (FEPs) in the analysis reports ''Features, Events, and Processes in Unsaturated Zone Flow and Transport and Features, Events, and Processes: Disruptive Events''. The total system performance assessment (TSPA) calculations do not use any output from this report. Specifically, the coupled THM process model is applied to simulate the impact of THM processes on hydrologic properties (permeability and capillary strength) and flow in the near-field rock around a heat-releasing emplacement drift. The heat generated by the decay of radioactive waste results in elevated rock temperatures for thousands of years after waste emplacement. Depending on the thermal load, these temperatures are high enough to cause boiling conditions in the rock, resulting in water redistribution and altered flow paths. These temperatures will also cause thermal expansion of the rock, with the potential of opening or closing fractures and thus changing fracture permeability in the near-field. Understanding the THM coupled processes is important for the performance of the repository because the thermally induced permeability changes potentially effect the magnitude and spatial distribution of percolation flux in the vicinity of the drift, and hence the seepage of water into the drift. This is important because a sufficient amount of water must be available within a

  19. 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

  20. Simplified tritium permeation model

    SciTech Connect (OSTI)

    Longhurst, G.R.

    1993-09-17

    In this model I seek to provide a simplified approach to solving permeation problems addressed by TMAP4. I will assume that there are m one-dimensional segments with thickness L{sub i}, i = 1, 2, {hor_ellipsis}, m, joined in series with an implantation flux, J{sub i}, implanting at the single depth, {delta}, in the first segment. From material properties and heat transfer considerations, I calculate temperatures at each face of each segment, and from those temperatures I find local diffusivities and solubilities. I assume recombination coefficients K{sub r}{sub 1} and K{sub r}{sub 2} are known at the upstream and downstream faces, respectively, but the model will generate Baskes recombination coefficient values on demand. Here I first develop the steady-state concentration equations and then show how trapping considerations can lead to good estimates of permeation transient times.

  1. SDI CFD MODELING ANALYSIS

    SciTech Connect (OSTI)

    Lee, S.

    2011-05-05

    The Savannah River Remediation (SRR) Organization requested that Savannah River National Laboratory (SRNL) develop a Computational Fluid Dynamics (CFD) method to mix and blend the miscible contents of the blend tanks to ensure the contents are properly blended before they are transferred from the blend tank; such as, Tank 50H, to the Salt Waste Processing Facility (SWPF) feed tank. The work described here consists of two modeling areas. They are the mixing modeling analysis during miscible liquid blending operation, and the flow pattern analysis during transfer operation of the blended liquid. The transient CFD governing equations consisting of three momentum equations, one mass balance, two turbulence transport equations for kinetic energy and dissipation rate, and one species transport were solved by an iterative technique until the species concentrations of tank fluid were in equilibrium. The steady-state flow solutions for the entire tank fluid were used for flow pattern analysis, for velocity scaling analysis, and the initial conditions for transient blending calculations. A series of the modeling calculations were performed to estimate the blending times for various jet flow conditions, and to investigate the impact of the cooling coils on the blending time of the tank contents. The modeling results were benchmarked against the pilot scale test results. All of the flow and mixing models were performed with the nozzles installed at the mid-elevation, and parallel to the tank wall. From the CFD modeling calculations, the main results are summarized as follows: (1) The benchmark analyses for the CFD flow velocity and blending models demonstrate their consistency with Engineering Development Laboratory (EDL) and literature test results in terms of local velocity measurements and experimental observations. Thus, an application of the established criterion to SRS full scale tank will provide a better, physically-based estimate of the required mixing time, and

  2. Model Analysis ToolKit

    Energy Science and Technology Software Center (OSTI)

    2015-05-15

    MATK provides basic functionality to facilitate model analysis within the Python computational environment. Model analysis setup within MATK includes: - define parameters - define observations - define model (python function) - define samplesets (sets of parameter combinations) Currently supported functionality includes: - forward model runs - Latin-Hypercube sampling of parameters - multi-dimensional parameter studies - parallel execution of parameter samples - model calibration using internal Levenberg-Marquardt algorithm - model calibration using lmfit package - modelmore » calibration using levmar package - Markov Chain Monte Carlo using pymc package MATK facilitates model analysis using: - scipy - calibration (scipy.optimize) - rpy2 - Python interface to R« less

  3. Extreme Conditions Modeling

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

    Conditions Modeling - 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 Advanced Nuclear

  4. Reference Model Project (RMP)

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

    Reference Model Project (RMP) - 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

  5. Modeling & Simulation | NISAC

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

    NISACModeling & Simulation content top Overview Posted by Admin on Feb 13, 2012 in | Comments 0 comments NISAC experts analyze-using modeling and simulation capabilities-critical infrastructure, along with their interdependencies, vulnerabilities, and complexities. Their analyses are used to aid decisionmakers with policy assessment, mitigation planning, education, and training and provide near-real-time assistance to crisis-response organizations. Infrastructure systems are large, complex,

  6. Climate Measurement & Modeling

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

    Measurement & Modeling - 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 Advanced

  7. Severe Accident Modeling

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

    Severe Accident Modeling - 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 Advanced

  8. High-fidelity Modeling

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

    fidelity Modeling of Local Effects of Damage for Derated Offshore Wind Turbines Phillip W. Richards Graduate Research Assistant, Daniel Guggenheim School of Aerospace Engineering. Georgia Institute of Technology, Atlanta, Georgia 30332-0150 E-mail: phillip@gatech.edu D. Todd Griffith Principal Member of the Technical Staff. Associate Fellow, AIAA. Sandia National Laboratories, Albuquerque, New Mexico 87123 Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia

  9. travel-demand-modeling

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

    Travel Demand Modeling for a Small sized MPO Using TRANSIMS Mohammad Sharif Ullah Champaign County Regional Planning Commission 1776 E Washington Street, Urbana, IL 61802 Phone: 217 328 3313 Ext 124 Email: This email address is being protected from spambots. You need JavaScript enabled to view it. List of Authors ================ Mohammad Sharif Ullah, Senior Transportation Engineer, CCRPC, Urbana, IL Asadur Rahman, PhD student, IIT, Chicago, IL Rita Morocoima-Black, Planning & Comm.

  10. Strategic Analysis and Modeling

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

    NREL is a national laboratory of the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, operated by the Alliance for Sustainable Energy, LLC. Strategic Analysis and Modeling Mary J. Biddy, Ling Tao, Eric Tan, Yimin Zhang National Renewable Energy Laboratory March 24, 2015 Analysis and Sustainability Peer Review 2015 DOE Bioenergy Technologies Office (BETO) Project Peer Review 2 Goal Statement * Develop tools and perform analyses to address key questions in support of

  11. Combustion and Emissions Modeling

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

    Combustion and Emissions Modeling This email address is being protected from spambots. You need JavaScript enabled to view it. - Computational Fluid Dynamics Project Leader Background Modern transportation engines are designed to use the available fuel resources efficiently and minimize harmful emissions. Optimization of these designs is based on a wealth of practical design, construction and operating experiences, and use of modern testing facilities and sophisticated analyses of the combustion

  12. Theory & Modeling

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

    & Modeling - 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 Advanced Nuclear

  13. CEC Array Modeling

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

    CEC Array Modeling - 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 Advanced Nuclear

  14. Molecular model generator toolkit

    SciTech Connect (OSTI)

    Schneider, R.D.

    1994-07-01

    This report is a user manual for an ASCII file of Fortran source code which must be compiled before use. The software will assist in creating plastic models of molecules whose specifications are described in the Brookhaven Protein Databank. Other data files can be used if they are in the same format as the files in the databank. The output file is a program for a 3-D Systems Stereolithography Apparatus and the program is run on a SGI Indigo workstation.

  15. Electricity Portfolio Simulation Model

    Energy Science and Technology Software Center (OSTI)

    2005-09-01

    Stakeholders often have competing interests when selecting or planning new power plants. The purpose of developing this preliminary Electricity Portfolio Simulation Model (EPSim) is to provide a first cut, dynamic methodology and approach to this problem, that can subsequently be refined and validated, that may help energy planners, policy makers, and energy students better understand the tradeoffs associated with competing electricity portfolios. EPSim allows the user to explore competing electricity portfolios annually from 2002 tomore » 2025 in terms of five different criteria: cost, environmental impacts, energy dependence, health and safety, and sustainability. Four additional criteria (infrastructure vulnerability, service limitations, policy needs and science and technology needs) may be added in future versions of the model. Using an analytic hierarchy process (AHP) approach, users or groups of users apply weights to each of the criteria. The default energy assumptions of the model mimic Department of Energy’s (DOE) electricity portfolio to 2025 (EIA, 2005). At any time, the user can compare alternative portfolios to this reference case portfolio.« less

  16. Radiolysis Process Model

    SciTech Connect (OSTI)

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

    2012-07-17

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

  17. Borehole Fluid Conductivity Model

    Energy Science and Technology Software Center (OSTI)

    2004-03-15

    Dynamic wellbore electrical conductivity logs provide a valuable means to determine the flow characteristics of fractures intersectin a wellbore, in order to study the hydrologic behavior of fractured rocks. To expedite the analysis of log data, a computer program called BORE II has been deveoloped that considers multiple inflow or outflow points along the wellbore, including the case of horizontal flow across the wellbore, BORE II calculates the evolution of fluid electrical conducivity (FEC) profilesmorein a wellbore or wellbore section, which may be pumped at a low rate, and compares model results to log data in a variety of ways. FEC variations may arise from inflow under natural-state conditions or due to tracer injected in a neighboring well (interference tests). BORE II has an interactive, graphical user interface and runs on a personal computer under the Windows operating system. BORE II is a modification and extension of older codes called BORE and BOREXT, which considered inflow points only. Finite difference solution of the one-dimensional advection-diffusion equation with explicit time stepping; feed points treated as prescribed-mass sources or sinks; assume quadratic relationship between fluid electrical conductivity and ion consentration. Graphical user interface; interactive modification of model parameters and graphical display of model results and filed data in a variety of ways. Can examine horizontal flow or arbitarily complicated combination of upflow, downflow, and horizontal flow. Feed point flow rate and/or concentration may vary in time.less

  18. Modeling volcanic ash dispersal

    ScienceCinema (OSTI)

    None

    2011-10-06

    Explosive volcanic eruptions inject into the atmosphere large amounts of volcanic material (ash, blocks and lapilli). Blocks and larger lapilli follow ballistic and non-ballistic trajectories and fall rapidly close to the volcano. In contrast, very fine ashes can remain entrapped in the atmosphere for months to years, and may affect the global climate in the case of large eruptions. Particles having sizes between these two end-members remain airborne from hours to days and can cover wide areas downwind. Such volcanic fallout entails a serious threat to aircraft safety and can create many undesirable effects to the communities located around the volcano. The assessment of volcanic fallout hazard is an important scientific, economic, and political issue, especially in densely populated areas. From a scientific point of view, considerable progress has been made during the last two decades through the use of increasingly powerful computational models and capabilities. Nowadays, models are used to quantify hazard scenarios and/or to give short-term forecasts during emergency situations. This talk will be focused on the main aspects related to modeling volcanic ash dispersal and fallout with application to the well known problem created by the Eyjafjöll volcano in Iceland. Moreover, a short description of the main volcanic monitoring techniques is presented.

  19. LLNL Chemical Kinetics Modeling Group

    SciTech Connect (OSTI)

    Pitz, W J; Westbrook, C K; Mehl, M; Herbinet, O; Curran, H J; Silke, E J

    2008-09-24

    The LLNL chemical kinetics modeling group has been responsible for much progress in the development of chemical kinetic models for practical fuels. The group began its work in the early 1970s, developing chemical kinetic models for methane, ethane, ethanol and halogenated inhibitors. Most recently, it has been developing chemical kinetic models for large n-alkanes, cycloalkanes, hexenes, and large methyl esters. These component models are needed to represent gasoline, diesel, jet, and oil-sand-derived fuels.

  20. Modifications improve waterflood performance model

    SciTech Connect (OSTI)

    El-Banbi, A.H.; Abdel Wally, A.; Abd-el Fattah, K.A.; Sayyouh, M.H.

    1996-01-01

    Modifications to the Craig-Geffen-Morse (CGM) waterflooding model improve reservoir performance predictions and allow for the inclusion of pressure drop variations with time. The modified model was validated against numerical simulation results. The paper describes the CGM model, the hypothetical data set, the simulation technique, comparisons between the CGM model and the simulation, and modifications to the CGM model relating to pressure drop variation and water production.

  1. Category:Modeling Techniques | Open Energy Information

    Open Energy Info (EERE)

    Analytical Modeling 1 pages C Conceptual Model 1 pages M Modeling-Computer Simulations 1 pages N Numerical Modeling 1 pages P Portfolio Risk...

  2. Better Buildings Neighborhood Program Business Models Guide:...

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

    Business Models Guide: HVAC Contractor Business Model Better Buildings Neighborhood Program Business Models Guide: HVAC Contractor Business Model Better Buildings Neighborhood ...

  3. Sequence modelling and an extensible data model for genomic database

    SciTech Connect (OSTI)

    Li, Peter Wei-Der Lawrence Berkeley Lab., CA )

    1992-01-01

    The Human Genome Project (HGP) plans to sequence the human genome by the beginning of the next century. It will generate DNA sequences of more than 10 billion bases and complex marker sequences (maps) of more than 100 million markers. All of these information will be stored in database management systems (DBMSs). However, existing data models do not have the abstraction mechanism for modelling sequences and existing DBMS's do not have operations for complex sequences. This work addresses the problem of sequence modelling in the context of the HGP and the more general problem of an extensible object data model that can incorporate the sequence model as well as existing and future data constructs and operators. First, we proposed a general sequence model that is application and implementation independent. This model is used to capture the sequence information found in the HGP at the conceptual level. In addition, abstract and biological sequence operators are defined for manipulating the modelled sequences. Second, we combined many features of semantic and object oriented data models into an extensible framework, which we called the Extensible Object Model'', to address the need of a modelling framework for incorporating the sequence data model with other types of data constructs and operators. This framework is based on the conceptual separation between constructors and constraints. We then used this modelling framework to integrate the constructs for the conceptual sequence model. The Extensible Object Model is also defined with a graphical representation, which is useful as a tool for database designers. Finally, we defined a query language to support this model and implement the query processor to demonstrate the feasibility of the extensible framework and the usefulness of the conceptual sequence model.

  4. Sequence modelling and an extensible data model for genomic database

    SciTech Connect (OSTI)

    Li, Peter Wei-Der |

    1992-01-01

    The Human Genome Project (HGP) plans to sequence the human genome by the beginning of the next century. It will generate DNA sequences of more than 10 billion bases and complex marker sequences (maps) of more than 100 million markers. All of these information will be stored in database management systems (DBMSs). However, existing data models do not have the abstraction mechanism for modelling sequences and existing DBMS`s do not have operations for complex sequences. This work addresses the problem of sequence modelling in the context of the HGP and the more general problem of an extensible object data model that can incorporate the sequence model as well as existing and future data constructs and operators. First, we proposed a general sequence model that is application and implementation independent. This model is used to capture the sequence information found in the HGP at the conceptual level. In addition, abstract and biological sequence operators are defined for manipulating the modelled sequences. Second, we combined many features of semantic and object oriented data models into an extensible framework, which we called the ``Extensible Object Model``, to address the need of a modelling framework for incorporating the sequence data model with other types of data constructs and operators. This framework is based on the conceptual separation between constructors and constraints. We then used this modelling framework to integrate the constructs for the conceptual sequence model. The Extensible Object Model is also defined with a graphical representation, which is useful as a tool for database designers. Finally, we defined a query language to support this model and implement the query processor to demonstrate the feasibility of the extensible framework and the usefulness of the conceptual sequence model.

  5. Ranking and Sequencing Model

    Energy Science and Technology Software Center (OSTI)

    2009-08-13

    This database application (commonly called the Supermodel) provides a repository for managing critical facility/project information, allows the user to subjectively an objectively assess key criteria , quantify project risks, develop ROM cost estimates, determine facility/project end states, ultimately performing risk-based modeling to rank facilities/project based on risk, sequencing project schedules and provides an optimized recommended sequencing/scheduling of these projects which maximize the S&M cost savings to perform closure projects which benefit all stakeholders.

  6. Chemical kinetics modeling

    SciTech Connect (OSTI)

    Westbrook, C.K.; Pitz, W.J.

    1993-12-01

    This project emphasizes numerical modeling of chemical kinetics of combustion, including applications in both practical combustion systems and in controlled laboratory experiments. Elementary reaction rate parameters are combined into mechanisms which then describe the overall reaction of the fuels being studied. Detailed sensitivity analyses are used to identify those reaction rates and product species distributions to which the results are most sensitive and therefore warrant the greatest attention from other experimental and theoretical research programs. Experimental data from a variety of environments are combined together to validate the reaction mechanisms, including results from laminar flames, shock tubes, flow systems, detonations, and even internal combustion engines.

  7. Chemical Kinetic Modelling

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

    Kinetic Modelling for Combustion Prof. Henry Curran 1 Copyright ©2016 by Prof Henry Curran. This material is not to be sold, reproduced or distributed without prior written permission of the owner, Prof Henry Curran. 2 Overview/Aims 5 days / 15 lectures Day 1 (1-3) Basic thermodynamic principles Day 2 (4) Basic kinetic principles (5,6) Experimental JSR, FR, RCM & ST contribution to kinetics Day 3 (7-9) Small species mechanism development 3 Overview/Aims 5 days /

  8. Model for mapping settlements

    DOE Patents [OSTI]

    Vatsavai, Ranga Raju; Graesser, Jordan B.; Bhaduri, Budhendra L.

    2016-07-05

    A programmable media includes a graphical processing unit in communication with a memory element. The graphical processing unit is configured to detect one or more settlement regions from a high resolution remote sensed image based on the execution of programming code. The graphical processing unit identifies one or more settlements through the execution of the programming code that executes a multi-instance learning algorithm that models portions of the high resolution remote sensed image. The identification is based on spectral bands transmitted by a satellite and on selected designations of the image patches.

  9. World Energy Projection System Plus Model Documentation: Refinery Model

    Reports and Publications (EIA)

    2016-01-01

    This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) Refinery Model. It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

  10. Nacelle Systems Engineering Model and Hub Systems Engineering Model

    Energy Science and Technology Software Center (OSTI)

    2012-09-30

    nacelleSE and hubSE are a set of models that size wind turbine hub system and drivetrain components based on key turbine design parameters and load inputs from a rotor model.

  11. World Energy Projection System Plus Model Documentation: District Heat Model

    Reports and Publications (EIA)

    2011-01-01

    This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) District Heat Model. It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

  12. World Energy Projection System Plus Model Documentation: Coal Model

    Reports and Publications (EIA)

    2011-01-01

    This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) Coal Model. It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

  13. World Energy Projection System Plus Model Documentation: Commercial Model

    Reports and Publications (EIA)

    2011-01-01

    This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) Commercial Model. It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

  14. World Energy Projection System Plus Model Documentation: Natural Gas Model

    Reports and Publications (EIA)

    2011-01-01

    This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) Natural Gas Model. It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

  15. World Energy Projection System Plus Model Documentation: Main Model

    Reports and Publications (EIA)

    2011-01-01

    This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) Main Model. It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

  16. World Energy Projection System Plus Model Documentation: Industrial Model

    Reports and Publications (EIA)

    2011-01-01

    This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) World Industrial Model (WIM). It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

  17. World Energy Projection System Plus Model Documentation: Refinery Model

    Reports and Publications (EIA)

    2011-01-01

    This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) Refinery Model. It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

  18. International Natural Gas Model 2011, Model Documentation Report

    Reports and Publications (EIA)

    2013-01-01

    This report documents the objectives, analytical approach and development of the International Natural Gas Model (INGM). It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

  19. World Energy Projection System Plus Model Documentation: World Electricity Model

    Reports and Publications (EIA)

    2011-01-01

    This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) World Electricity Model. It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

  20. World Energy Projection System Plus Model Documentation: Transportation Model

    Reports and Publications (EIA)

    2011-01-01

    This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) International Transportation model. It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

  1. World Energy Projection System Plus Model Documentation: Greenhouse Gases Model

    Reports and Publications (EIA)

    2011-01-01

    This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) Greenhouse Gases Model. It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

  2. World Energy Projection System Plus Model Documentation: Residential Model

    Reports and Publications (EIA)

    2011-01-01

    This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) Residential Model. It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

  3. Integration of EBS Models with Generic Disposal System Models

    Office of Energy Efficiency and Renewable Energy (EERE)

    This report summarizes research activities on engineered barrier system (EBS) model integration with the generic disposal system model (GDSM), and used fuel degradation and radionuclide mobilization (RM) in support of the EBS evaluation and tool development within the UFD campaign.

  4. Comparison of Photovoltaic Models in the System Advisor Model: Preprint

    SciTech Connect (OSTI)

    Blair, N. J.; Dobos, A. P.; Gilman, P.

    2013-08-01

    The System Advisor Model (SAM) is free software developed by the National Renewable Energy Laboratory (NREL) for predicting the performance of renewable energy systems and analyzing the financial feasibility of residential, commercial, and utility-scale grid-connected projects. SAM offers several options for predicting the performance of photovoltaic (PV) systems. The model requires that the analyst choose from three PV system models, and depending on that choice, possibly choose from three module and two inverter component models. To obtain meaningful results from SAM, the analyst must be aware of the differences between the model options and their applicability to different modeling scenarios. This paper presents an overview the different PV model options and presents a comparison of results for a 200-kW system using different model options.

  5. Determining Reduced Order Models for Optimal Stochastic Reduced Order Models

    SciTech Connect (OSTI)

    Bonney, Matthew S.; Brake, Matthew R.W.

    2015-08-01

    The use of parameterized reduced order models(PROMs) within the stochastic reduced order model (SROM) framework is a logical progression for both methods. In this report, five different parameterized reduced order models are selected and critiqued against the other models along with truth model for the example of the Brake-Reuss beam. The models are: a Taylor series using finite difference, a proper orthogonal decomposition of the the output, a Craig-Bampton representation of the model, a method that uses Hyper-Dual numbers to determine the sensitivities, and a Meta-Model method that uses the Hyper-Dual results and constructs a polynomial curve to better represent the output data. The methods are compared against a parameter sweep and a distribution propagation where the first four statistical moments are used as a comparison. Each method produces very accurate results with the Craig-Bampton reduction having the least accurate results. The models are also compared based on time requirements for the evaluation of each model where the Meta- Model requires the least amount of time for computation by a significant amount. Each of the five models provided accurate results in a reasonable time frame. The determination of which model to use is dependent on the availability of the high-fidelity model and how many evaluations can be performed. Analysis of the output distribution is examined by using a large Monte-Carlo simulation along with a reduced simulation using Latin Hypercube and the stochastic reduced order model sampling technique. Both techniques produced accurate results. The stochastic reduced order modeling technique produced less error when compared to an exhaustive sampling for the majority of methods.

  6. Generalized Environment for Modeling Systems

    Energy Science and Technology Software Center (OSTI)

    2012-02-07

    GEMS is an integrated environment that allows technical analysts, modelers, researchers, etc. to integrate and deploy models and/or decision tools with associated data to the internet for direct use by customers. GEMS does not require that the model developer know how to code or script and therefore delivers this capability to a large group of technical specialists. Customers gain the benefit of being able to execute their own scenarios directly without need for technical support.more » GEMS is a process that leverages commercial software products with specialized codes that add connectivity and unique functions to support the overall capability. Users integrate pre-existing models with a commercial product and store parameters and input trajectories in a companion commercial database. The model is then exposed into a commercial web environment and a graphical user interface (GUI) is applied by the model developer. Users execute the model through the web based GUI and GEMS manages supply of proper inputs, execution of models, routing of data to models and display of results back to users. GEMS works in layers, the following description is from the bottom up. Modelers create models in the modeling tool of their choice such as Excel, Matlab, or Fortran. They can also use models from a library of previously wrapped legacy codes (models). Modelers integrate the models (or a single model) by wrapping and connecting the models using the Phoenix Integration tool entitled ModelCenter. Using a ModelCenter/SAS plugin (DOE copyright CW-10-08) the modeler gets data from either an SAS or SQL database and sends results back to SAS or SQL. Once the model is working properly, the ModelCenter file is saved and stored in a folder location to which a SharePoint server tool created at INL is pointed. This enables the ModelCenter model to be run from SharePoint. The modeler then goes into Microsoft SharePoint and creates a graphical user interface (GUI) using the ModelCenter Web

  7. Factory Cost Model

    Energy Science and Technology Software Center (OSTI)

    1996-12-17

    The Factory Cost Model (FCM) is an economic analysis tool intended to provide flat panel display (FPD) and other similar discrete component manufacturers with the ability to make first-order estimates of the cost of unit production. This software has several intended uses. Primary among these is the ability to provide first-order economic analysis for future factories. Consequently, the model requires a minimal level of input detail, and accomodates situations where actual production data are notmore » available. This software is designed to be activity based such that most of the calculated direct costs are associated with the steps of a manufacturibg process. The FCM architecture has the ability to accomodate the analysis of existing manufacturing facilities. The FCM can provide assistance with strategic economic decisions surrounding production related matters. For instance, the program can project the effect on costs and resources of a new product''s introduction, or it can assess the potential cost reduction produced by step yield improvements in the manufacturing process.« less

  8. Global Energy Futures Model

    Energy Science and Technology Software Center (OSTI)

    2004-01-01

    The Global Energy Futures Model (GEFM) is a demand-based, gross domestic product (GDP)-driven, dynamic simulation tool that provides an integrated framework to model key aspects of energy, nuclear-materials storage and disposition, environmental effluents from fossil and non fossil energy and global nuclear-materials management. Based entirely on public source data, it links oil, natural gas, coal, nuclear and renewable energy dynamically to greenhouse-gas emissions and 13 other measures of environmental impact. It includes historical data frommore » 1990 to 2000, is benchmarked to the DOE/EIA/IEO 2002 [5] Reference Case for 2000 to 2020, and extrapolates energy demand through the year 2050. The GEFM is globally integrated, and breaks out five regions of the world: United States of America (USA), the Peoples Republic of China (China), the former Soviet Union (FSU), the Organization for Economic Cooperation and Development (OECD) nations excluding the USA (other industrialized countries), and the rest of the world (ROW) (essentially the developing world). The GEFM allows the user to examine a very wide range of what ir scenarios through 2050 and to view the potential effects across widely dispersed, but interrelated areas. The authors believe that this high-level learning tool will help to stimulate public policy debate on energy, environment, economic and national security issues.« less

  9. Operation Periods: Single Column Model

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

    2 Fall 2002 Intensive Operation Periods: Single Column Model and Unmanned Aerospace Vehicle In an Intensive Operation Period (IOP) on November 3-23, 2002, researchers at the SGP CART site are collecting a detailed data set for use in improving the Single Column Model (SCM), a scaled- down climate model. The SCM represents one vertical column of air above Earth's surface and requires less computation time than a full-scale global climate model. Researchers first use the SCM to efficiently improve

  10. 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

  11. Business Model Guide Executive Summary

    Broader source: Energy.gov [DOE]

    The Business Model Guide Executive Summary by the U.S. Department of Energy's Better Buildings Neighborhood Program.

  12. Regions in Energy Market Models

    SciTech Connect (OSTI)

    2009-01-18

    This report explores the different options for spatial resolution of an energy market model and the advantages and disadvantages of models with fine spatial resolution. It examines different options for capturing spatial variations, considers the tradeoffs between them, and presents a few examples from one particular model that has been run at different levels of spatial resolution.

  13. Regions in Energy Market Models

    SciTech Connect (OSTI)

    Short, W.

    2007-02-01

    This report explores the different options for spatial resolution of an energy market model--and the advantages and disadvantages of models with fine spatial resolution. It examines different options for capturing spatial variations, considers the tradeoffs between them, and presents a few examples from one particular model that has been run at different levels of spatial resolution.

  14. Nattoh model for cold fusion

    SciTech Connect (OSTI)

    Matsumoto, T. . Dept. of Nuclear Engineering)

    1989-12-01

    A hypothetical model, the Nattoh model, is proposed to answer the questions that result from cold fusion experiments. This model proposes the formation of a small cluster of deuterons and examines the feasibility of many-body fusion reactions. The gamma-ray spectrum, heat production, neutron emissions, and fusion products are discussed.

  15. 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

  16. Kauai Groundwater Flow Model

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

    Nicole Lautze

    2015-01-01

    Groundwater flow model for Kauai. Data is from the following sources: Whittier, R. and A.I. El-Kadi. 2014. Human and Environmental Risk Ranking of Onsite Sewage Disposal Systems For the Hawaiian Islands of Kauai, Molokai, Maui, and Hawaii – Final. Prepared by the University of Hawaii, Dept. of Geology and Geophysics for the State of Hawaii Dept. of Health, Safe Drinking Water Branch. September 2014.; and Whittier, R.B., K. Rotzoll, S. Dhal, A.I. El-Kadi, C. Ray, G. Chen, and D. Chang. 2004. Hawaii Source Water Assessment Program Report – Volume IV – Island of Kauai Source Water Assessment Program Report. Prepared for the Hawaii Department of Health, Safe Drinking Water Branch. University of Hawaii, Water Resources Research Center. Updated 2015.

  17. Oahu Groundwater Flow Model

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

    Nicole Lautze

    2015-01-01

    Groundwater flow model for the island of Oahu. Data is from the following sources: Rotzoll, K., A.I. El-Kadi. 2007. Numerical Ground-Water Flow Simulation for Red Hill Fuel Storage Facilities, NAVFAC Pacific, Oahu, Hawaii - Prepared TEC, Inc. Water Resources Research Center, University of Hawaii, Honolulu.; Whittier, R.B., K. Rotzoll, S. Dhal, A.I. El-Kadi, C. Ray, G. Chen, and D. Chang. 2004. Hawaii Source Water Assessment Program Report – Volume VII – Island of Oahu Source Water Assessment Program Report. Prepared for the Hawaii Department of Health, Safe Drinking Water Branch. University of Hawaii, Water Resources Research Center. Updated 2008.; and Whittier, R. and A.I. El-Kadi. 2009. Human and Environmental Risk Ranking of Onsite Sewage Disposal Systems – Final. Prepared by the University of Hawaii, Dept. of Geology and Geophysics for the State of Hawaii Dept. of Health, Safe Drinking Water Branch. December 2009.

  18. MULTISCALE THERMOHYDROLOGIC MODEL

    SciTech Connect (OSTI)

    T. Buscheck

    2005-07-07

    The intended purpose of the multiscale thermohydrologic model (MSTHM) is to predict the possible range of thermal-hydrologic conditions, resulting from uncertainty and variability, in the repository emplacement drifts, including the invert, and in the adjoining host rock for the repository at Yucca Mountain. The goal of the MSTHM is to predict a reasonable range of possible thermal-hydrologic conditions within the emplacement drift. To be reasonable, this range includes the influence of waste-package-to-waste-package heat output variability relevant to the license application design, as well as the influence of uncertainty and variability in the geologic and hydrologic conditions relevant to predicting the thermal-hydrologic response in emplacement drifts. This goal is quite different from the goal of a model to predict a single expected thermal-hydrologic response. As a result, the development and validation of the MSTHM and the associated analyses using this model are focused on the goal of predicting a reasonable range of thermal-hydrologic conditions resulting from parametric uncertainty and waste-package-to-waste-package heat-output variability. Thermal-hydrologic conditions within emplacement drifts depend primarily on thermal-hydrologic conditions in the host rock at the drift wall and on the temperature difference between the drift wall and the drip-shield and waste-package surfaces. Thus, the ability to predict a reasonable range of relevant in-drift MSTHM output parameters (e.g., temperature and relative humidity) is based on valid predictions of thermal-hydrologic processes in the host rock, as well as valid predictions of heat-transfer processes between the drift wall and the drip-shield and waste-package surfaces. Because the invert contains crushed gravel derived from the host rock, the invert is, in effect, an extension of the host rock, with thermal and hydrologic properties that have been modified by virtue of the crushing (and the resulting

  19. Kauai Groundwater Flow Model

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

    Nicole Lautze

    2015-01-01

    Groundwater flow model for Kauai. Data is from the following sources: Whittier, R. and A.I. El-Kadi. 2014. Human and Environmental Risk Ranking of Onsite Sewage Disposal Systems For the Hawaiian Islands of Kauai, Molokai, Maui, and Hawaii Final. Prepared by the University of Hawaii, Dept. of Geology and Geophysics for the State of Hawaii Dept. of Health, Safe Drinking Water Branch. September 2014.; and Whittier, R.B., K. Rotzoll, S. Dhal, A.I. El-Kadi, C. Ray, G. Chen, and D. Chang. 2004. Hawaii Source Water Assessment Program Report Volume IV Island of Kauai Source Water Assessment Program Report. Prepared for the Hawaii Department of Health, Safe Drinking Water Branch. University of Hawaii, Water Resources Research Center. Updated 2015.

  20. Modeling cortical circuits.

    SciTech Connect (OSTI)

    Rohrer, Brandon Robinson; Rothganger, Fredrick H.; Verzi, Stephen J.; Xavier, Patrick Gordon

    2010-09-01

    The neocortex is perhaps the highest region of the human brain, where audio and visual perception takes place along with many important cognitive functions. An important research goal is to describe the mechanisms implemented by the neocortex. There is an apparent regularity in the structure of the neocortex [Brodmann 1909, Mountcastle 1957] which may help simplify this task. The work reported here addresses the problem of how to describe the putative repeated units ('cortical circuits') in a manner that is easily understood and manipulated, with the long-term goal of developing a mathematical and algorithmic description of their function. The approach is to reduce each algorithm to an enhanced perceptron-like structure and describe its computation using difference equations. We organize this algorithmic processing into larger structures based on physiological observations, and implement key modeling concepts in software which runs on parallel computing hardware.