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Sample records for mesoscale modeling finite

  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. STATISTICAL MECHANICS MODELING OF MESOSCALE DEFORMATION IN METALS

    Office of Scientific and Technical Information (OSTI)

    (Technical Report) | SciTech Connect Technical Report: STATISTICAL MECHANICS MODELING OF MESOSCALE DEFORMATION IN METALS Citation Details In-Document Search Title: STATISTICAL MECHANICS MODELING OF MESOSCALE DEFORMATION IN METALS The research under this project focused on a theoretical and computational modeling of dislocation dynamics of mesoscale deformation of metal single crystals. Specifically, the work aimed to implement a continuum statistical theory of dislocations to understand

  4. 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 ...

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

    Office of Scientific and Technical Information (OSTI)

    | SciTech Connect Technical Report: 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

  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. 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.

  8. 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.

  9. 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.

  10. 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.

  11. Integrating Meshfree Peridynamic Models with Classical Finite...

    Office of Scientific and Technical Information (OSTI)

    Title: Integrating Meshfree Peridynamic Models with Classical Finite Element Analysis. Abstract not provided. Authors: Littlewood, David John ; Silling, Stewart Andrew ; Seleson, ...

  12. 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.

  13. Finite element modeling of lightning

    SciTech Connect (OSTI)

    Hwang, C.C.; Huang, S.R.; Bor, S.S.

    1995-12-31

    In this paper the transmission line equation which describes the transient voltage and current distributions of a lightning stroke is employed. Finite element method is used to derive the element equations and one-dimensional linear elements are used to discretize the field region. The implicit Newmark time integration technique is used to convert the resulting second-order ordinary differential equations into a set of recurrence equations which are then solved at each time step. Numerical example is included and discussed.

  14. Chiral random matrix model at finite chemical potential: Characteristi...

    Office of Scientific and Technical Information (OSTI)

    model at finite chemical potential: Characteristic determinant and edge universality Prev Next Title: Chiral random matrix model at finite chemical potential: ...

  15. 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.

  16. ExodusII Finite Element Data Model

    Energy Science and Technology Software Center (OSTI)

    2005-05-14

    EXODUS II is a model developed to store and retrieve data for finite element analyses. It is used for preprocessing (problem definition), postprocessing (results visualization), as well as code to code data transfer. An EXODUS II data file is a random access, machine independent, binary file that is written and read via C, C++, or Fortran library routines which comprise the Application Programming Interface. (exodus II is based on netcdf)

  17. 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.

  18. 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

  19. Modeling dislocations in a polycrystal using the generalized finite element

    Office of Scientific and Technical Information (OSTI)

    method. (Conference) | SciTech Connect Modeling dislocations in a polycrystal using the generalized finite element method. Citation Details In-Document Search Title: Modeling dislocations in a polycrystal using the generalized finite element method. Modeling the interaction of dislocations with internal boundaries and free surfaces is essential to understanding the effect of material microstructure on dislocation motion. However, discrete dislocation dynamics methods rely on infinite domain

  20. Integrating Meshfree Peridynamic Models with Classical Finite Element

    Office of Scientific and Technical Information (OSTI)

    Analysis. (Conference) | SciTech Connect Integrating Meshfree Peridynamic Models with Classical Finite Element Analysis. Citation Details In-Document Search Title: Integrating Meshfree Peridynamic Models with Classical Finite Element Analysis. Abstract not provided. Authors: Littlewood, David John ; Silling, Stewart Andrew ; Seleson, Pablo D ; Mitchell, John Anthony Publication Date: 2014-10-01 OSTI Identifier: 1242046 Report Number(s): SAND2014-19109C 540715 DOE Contract Number:

  1. Finite element model for heat conduction in jointed rock masses

    SciTech Connect (OSTI)

    Gartling, D.K.; Thomas, R.K.

    1981-01-01

    A computatonal procedure for simulating heat conduction in a fractured rock mass is proposed and illustrated in the present paper. The method makes use of a simple local model for conduction in the vicinity of a single open fracture. The distributions of fractures and fracture properties within the finite element model are based on a statistical representation of geologic field data. Fracture behavior is included in the finite element computation by locating local, discrete fractures at the element integration points.

  2. Chiral random matrix model at finite chemical potential: Characteristic

    Office of Scientific and Technical Information (OSTI)

    determinant and edge universality (Journal Article) | DOE PAGES Published Article: Chiral random matrix model at finite chemical potential: Characteristic determinant and edge universality « Prev Next » Title: Chiral random matrix model at finite chemical potential: Characteristic determinant and edge universality Authors: Liu, Yizhuang ; Nowak, Maciej A. ; Zahed, Ismail Publication Date: 2016-08-01 OSTI Identifier: 1250302 Grant/Contract Number: DEC-2011/02/A/ST1/00119; FG-88ER40388 Type:

  3. 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.

  4. Experimentally validated finite element model of electrocaloric multilayer ceramic structures

    SciTech Connect (OSTI)

    Smith, N. A. S. E-mail: maciej.rokosz@npl.co.uk Correia, T. M. E-mail: maciej.rokosz@npl.co.uk; Rokosz, M. K. E-mail: maciej.rokosz@npl.co.uk

    2014-07-28

    A novel finite element model to simulate the electrocaloric response of a multilayer ceramic capacitor (MLCC) under real environment and operational conditions has been developed. The two-dimensional transient conductive heat transfer model presented includes the electrocaloric effect as a source term, as well as accounting for radiative and convective effects. The model has been validated with experimental data obtained from the direct imaging of MLCC transient temperature variation under application of an electric field. The good agreement between simulated and experimental data, suggests that the novel experimental direct measurement methodology and the finite element model could be used to support the design of optimised electrocaloric units and operating conditions.

  5. 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.

  6. 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:...

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. Insider Models with Finite Utility in Markets with Jumps

    SciTech Connect (OSTI)

    Kohatsu-Higa, Arturo; Yamazato, Makoto

    2011-10-15

    In this article we consider, under a Levy process model for the stock price, the utility optimization problem for an insider agent whose additional information is the final price of the stock blurred with an additional independent noise which vanishes as the final time approaches. Our main interest is establishing conditions under which the utility of the insider is finite. Mathematically, the problem entails the study of a 'progressive' enlargement of filtration with respect to random measures. We study the jump structure of the process which leads to the conclusion that in most cases the utility of the insider is finite and his optimal portfolio is bounded. This can be explained financially by the high risks involved in models with jumps.

  12. 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.

  13. Finite driving rate and anisotropy effects in landslide modeling

    SciTech Connect (OSTI)

    Piegari, E.; Cataudella, V.; Di Maio, R.; Milano, L.; Nicodemi, M.

    2006-02-15

    In order to characterize landslide frequency-size distributions and individuate hazard scenarios and their possible precursors, we investigate a cellular automaton where the effects of a finite driving rate and the anisotropy are taken into account. The model is able to reproduce observed features of landslide events, such as power-law distributions, as experimentally reported. We analyze the key role of the driving rate and show that, as it is increased, a crossover from power-law to non-power-law behaviors occurs. Finally, a systematic investigation of the model on varying its anisotropy factors is performed and the full diagram of its dynamical behaviors is presented.

  14. Progress in Developing Finite Element Models Replicating Flexural Graphite Testing

    SciTech Connect (OSTI)

    Robert Bratton

    2010-06-01

    This report documents the status of flexural strength evaluations from current ASTM procedures and of developing finite element models predicting the probability of failure. This work is covered under QLD REC-00030. Flexural testing procedures of the American Society for Testing and Materials (ASTM) assume a linear elastic material that has the same moduli for tension and compression. Contrary to this assumption, graphite is known to have different moduli for tension and compression. A finite element model was developed and demonstrated that accounts for the difference in moduli tension and compression. Brittle materials such as graphite exhibit significant scatter in tensile strength, so probabilistic design approaches must be used when designing components fabricated from brittle materials. ASTM procedures predicting probability of failure in ceramics were compared to methods from the current version of the ASME graphite core components rules predicting probability of failure. Using the ASTM procedures yields failure curves at lower applied forces than the ASME rules. A journal paper was published in the Journal of Nuclear Engineering and Design exploring the statistical models of fracture in graphite.

  15. A Finite Element Model for Simulation of Carbon Dioxide Sequestration

    SciTech Connect (OSTI)

    Bao, Jie; Xu, Zhijie; Fang, Yilin

    2013-11-02

    We present a hydro-mechanical model, followed by stress, deformation, and shear-slip failure analysis for geological sequestration of carbon dioxide (CO2). The model considers the poroelastic effects by taking into account of the two-way coupling between the geomechanical response and the fluid flow process. Analytical solutions for pressure and deformation fields were derived for a typical geological sequestration scenario in our previous work. A finite element approach is introduced here for numerically solving the hydro-mechanical model with arbitrary boundary conditions. The numerical approach was built on an open-source finite element code Elmer, and results were compared to the analytical solutions. The shear-slip failure analysis was presented based on the numerical results, where the potential failure zone is identified. Information is relevant to the prediction of the maximum sustainable injection rate or pressure. The effects of caprock permeability on the fluid pressure, deformation, stress, and the shear-slip failure zone were also quantitatively studied. It was shown that a larger permeability in caprock and base rock leads to a larger uplift but a smaller shear-slip failure zone.

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

    SciTech Connect (OSTI)

    Donnelly, Christine

    2012-03-01

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

  17. NUMERICAL MODELING OF CONTAMINANT TRANSPORT IN FRACTURED POROUS MEDIA USING MIXED FINITE ELEMENT AND FINITE VOLUME METHODS

    SciTech Connect (OSTI)

    Taylor, G.; Dong, C.; Sun, S.

    2010-03-18

    A mathematical model for contaminant species passing through fractured porous media is presented. In the numerical model, we combine two locally conservative methods, i.e. mixed finite element (MFE) and the finite volume methods. Adaptive triangle mesh is used for effective treatment of the fractures. A hybrid MFE method is employed to provide an accurate approximation of velocities field for both the fractures and matrix which are crucial to the convection part of the transport equation. The finite volume method and the standard MFE method are used to approximate the convection and dispersion terms respectively. The model is used to investigate the interaction of adsorption with transport and to extract information on effective adsorption distribution coefficients. Numerical examples in different fractured media illustrate the robustness and efficiency of the proposed numerical model.

  18. 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.

  19. 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.

  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. 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 characterized by well-developed drainage circulations. Simulations with and without vertical motions in the particle model produced large differences in the tracer concentrations at specific locations and times; however, the overall ventilation of the valley atmosphere differed by only 5% or less. Despite the atmospheric stability, turbulence produced by vertical wind shears mixed particles well above the surface stable layer for the particle model simulation without vertical motions.

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

    Office of Scientific and Technical Information (OSTI)

    Optically Directed Assembly of Continuous Mesoscale Filaments Title: Optically Directed Assembly of Continuous Mesoscale Filaments Authors: Bahns, J. T. ; Sankaranarayanan, S. K. ...

  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 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...

  5. 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

  6. FINITE ELEMENT MODELS FOR COMPUTING SEISMIC INDUCED SOIL PRESSURES ON DEEPLY EMBEDDED NUCLEAR POWER PLANT STRUCTURES.

    SciTech Connect (OSTI)

    XU, J.; COSTANTINO, C.; HOFMAYER, C.

    2006-06-26

    PAPER DISCUSSES COMPUTATIONS OF SEISMIC INDUCED SOIL PRESSURES USING FINITE ELEMENT MODELS FOR DEEPLY EMBEDDED AND OR BURIED STIFF STRUCTURES SUCH AS THOSE APPEARING IN THE CONCEPTUAL DESIGNS OF STRUCTURES FOR ADVANCED REACTORS.

  7. Time-dependent finite-element models of phase-change problems with moving heat sources

    SciTech Connect (OSTI)

    Westerberg, K.W. ); Wiklof, C. ); Finlayson, B.A. . Dept. of Chemical Engineering)

    1994-03-01

    A mathematical model is developed for melting of a multilayered medium while a heat source traverses one boundary. The finite-element method uses moving meshes, front-tracking using spines, an automatic time-step algorithm, and an efficient solution of the linearized equations. A novel solution method allows the fixed-mesh code to work unchanged but allows a moving mesh in other problems. The finite-element method is applied when the heater mesh moves with respect to the multilayered medium mesh. The same technique allows parallel processing for finite-element codes. The model is applied to several test problems and then to the title problem.

  8. A Finite Element Model Of Self-Resonating Bimorph Microcantilever For Fast

    Office of Scientific and Technical Information (OSTI)

    Temperature Cycling In A Pyroelectric Energy Harvester (Conference) | SciTech Connect A Finite Element Model Of Self-Resonating Bimorph Microcantilever For Fast Temperature Cycling In A Pyroelectric Energy Harvester Citation Details In-Document Search Title: A Finite Element Model Of Self-Resonating Bimorph Microcantilever For Fast Temperature Cycling In A Pyroelectric Energy Harvester A self resonating bimorph cantilever structure for fast temperature cycling in a pyroelectric energy

  9. 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.

  10. 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 observations to evaluate model simulations In cooperation with Profs. Bob Houze at University of Washington and Steven Rutledge at Colorado State University, numerical model results were evaluated with observations from W- and C-band radars and CloudSat/TRMM satellites. These studies exhibited some shortcomings of current numerical models, such as too little of thin anvil clouds, directing the future improvement of cloud microphysics parameterization in CRMs. Two papers of Powell et al (2012) and Zeng et al. (2013), summarizing these studies, were published in the Journal of the Atmospheric Sciences. 4. Analyzed the water budgets of MCSs Using ARM data from TWP-ICE, ARM-SGP and other field campaigns, the Goddard CRM simulations were carried out to analyze the water budgets of clouds from TWP-ICE and AMMA. The simulations generated a set of datasets on clouds and radiation, which are available http://cloud.gsfc.nasa.gov/. The cloud datasets were available for modelers and other researchers aiming to improve the representation of cloud processes in multi-scale modeling frameworks, GCMs and climate models. Special datasets, such as 3D cloud distributions every six minutes for TWP-ICE, were requested and generated for ARM/ASR investigators. Data server records show that 86,206 datasets were downloaded by 120 users between April of 2010 and January of 2012. 5. MMF simulations The Goddard MMF (multi-scale modeling framework) has been improved by coupling with the Goddard Land Information System (LIS) and the Goddard Earth Observing System Model, Version 5 (GOES5). It has also been optimized on NASA HEC supercomputers and can be run over 4000 CPUs. The improved MMF with high horizontal resolution (1 x 1 degree) is currently being applied to cases covering 2005 and 2006. The results show that the spatial distribution pattern of precipitation rate is well simulated by the MMF through comparisons with satellite retrievals from the CMOPRH and GPCP data sets. In addition, the MMF results were compared with three reanalyses (MERRA, ERA-Interim and CFSR). Although the MMF tends to produce a higher precipitation rate over some topical regions, it actually well captures the variations in the zonal and meridional means. Among the three reanalyses, ERA-Interim seems to have values close to those of the satellite retrievals especially for GPCP. It is interesting to note that the MMF obtained the best results in the rain forest of Africa even better than those of CFSR and ERA-Interim, when compared to CMORPH. MERRA fails to capture the precipitation in this region. We are now collaborating with Steve Rutledge (CSU) to validate the model results for AMMA 6. MC3E and the diurnal variation of precipitation processes The Midlatitude Continental Convective Clouds Experiment (MC3E) was a joint field campaign between the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Climate Research Facility and the NASA Global Precipitation Measurement (GPM) mission Ground Validation (GV) program. It took place in central Oklahoma during the period April 22 _ June 6, 2011. Some of its major objectives involve the use of CRMs in precipitation science such as: (1) testing the fidelity of CRM simulations via intensive statistical comparisons between simulated and observed cloud properties and latent heating fields for a variety of case types, (2) establishing the limits of CRM space-time integration capabilities for quantitative precipitation estimates, and (3) supporting the development and refinement of physically-based GMI, DPR, and DPR-GMI combined retrieval algorithms using ground-based GPM GV Ku-Ka band radar and CRM simulations. The NASA unified WRF model (nu-WRF) was used for real time forecasts during the field campaign, and ten precipitation events were selected for post mission simulations. These events include well-organized squall lines, scattered storms and quasi-linear storms. A paper focused on the diurnal variation of precipitation will be submitted in September 2012. The major highlights are as follows: a. The results indicate that NU-WRF model could capture observed diurnal variation of rainfall (composite not individual); b. NU-WRF model could simulate two different types (propagating and local type) of the diurnal variation of rainfall; c. NU-WRF model simulation show very good agreement with observation in terms of precipitation pattern (linear MCS), radar reflectivity (a second low peak – shallow convection); d. NU-WRF model simulation indicates that the cool-pool dynamic is the main physical process for MCS propagation speed; e. Surface heat fluxes (including land surface model and initial surface condition) do not play a major role in phase of diurnal variation (change rainfall amount slightly); f. Terrain effect is important for initial stage of MCS (rainfall is increased and close to observation by increasing the terrain height that is also close to observed); g. Diurnal variation of radiation is not important for the simulated variation of rainfall. Publications: Zeng, X., W.-K. Tao, S. Powell, R. Houze, Jr., P. Ciesielski, N. Guy, H. Pierce and T. Matsui, 2012: A comparison of the water budgets between clouds from AMMA and TWP-ICE. J. Atmos. Sci., 70, 487-503. Powell, S. W., R. A. Houze, Jr., A. Kumar, and S. A. McFarlane, 2012: Comparison of simulated and observed continental tropical anvil clouds and their radiative heating profiles. J. Atmos. Sci., 69, 2662-2681. Zeng, X., W.-K. Tao, T. Matsui, S. Xie, S. Lang, M. Zhang, D. Starr, and X. Li, 2011: Estimating the Ice Crystal Enhancement Factor in the Tropics. J. Atmos. Sci., 68, 1424-1434. Conferences: Zeng, X., W.-K. Tao, S. Powell, R. Houze, Jr., P. Ciesielski, N. Guy, H. Pierce and T. Matsui, 2012: Comparison of water budget between AMMA and TWP-ICE clouds. The 3rd Annual ASR Science Team Meeting. Arlington, Virginia, Mar. 12-16, 2012. Zeng, X., W.-K. Tao, S. Powell, R. A. Houze Jr., and P. Ciesielski, 2011: Comparing the water budgets between AMMA and TWP-ICE clouds. Fall 2011 ASR Working Group Meeting. Annapolis, September 12-16, 2011. Zeng, X. et al., 2011: Introducing ice nuclei into turbulence parameterizations in CRMs. Fall 2011 ASR Working Group Meeting. Annapolis, September 12-16, 2011.

  11. 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.

  12. Integrated Mesoscale Architectures for Sustainable Catalysis...

    Office of Science (SC) Website

    Integrated Mesoscale Architectures for Sustainable Catalysis (IMASC) Energy Frontier ... science, molecular dynamics (MD), density functional theory (DFT), quantum ...

  13. A Finite-Element Model for Simulation of Carbon Dioxide Sequestration

    SciTech Connect (OSTI)

    Bao, Jie; Xu, Zhijie; Fang, Yilin

    2014-09-01

    Herein, we present a coupled thermal-hydro-mechanical model for geological sequestration of carbon dioxide followed by the stress, deformation, and shear-slip failure analysis. This fully coupled model considers the geomechanical response, fluid flow, and thermal transport relevant to geological sequestration. Both analytical solutions and numerical approach via finite element model are introduced for solving the thermal-hydro-mechanical model. Analytical solutions for pressure, temperature, deformation, and stress field were obtained for a simplified typical geological sequestration scenario. The finite element model is more general and can be used for arbitrary geometry. It was built on an open-source finite element code, Elmer, and was designed to simulate the entire period of CO2 injection (up to decades) both stably and accuratelyeven for large time steps. The shear-slip failure analysis was implemented based on the numerical results from the finite element model. The analysis reveals the potential failure zone caused by the fluid injection and thermal effect. From the simulation results, the thermal effect is shown to enhance well injectivity, especially at the early time of the injection. However, it also causes some side effects, such as the appearance of a small failure zone in the caprock. The coupled thermal-hydro-mechanical model improves prediction of displacement, stress distribution, and potential failure zone compared to the model that neglects non-isothermal effects, especially in an area with high geothermal gradient.

  14. Grid Generator for Two, Three-dimensional Finite Element Subsurface Flow Models

    Energy Science and Technology Software Center (OSTI)

    1993-04-28

    GRIDMAKER serves as a preprocessor for finite element models in solving two- and three-dimensional subsurface flow and pollutant transport problems. It is designed to generate three-point triangular or four-point quadrilateral elements for two-dimensional domains and eight-point hexahedron elements for three-dimensional domains. A two-dimensional domain of an aquifer with a variable depth layer is treated as a special case for depth-integrated two-dimensional, finite element subsurface flow models. The program accommodates the need for aquifers with heterogeneousmore » systems by identifying the type of material in each element.« less

  15. Alfven-wave particle interaction in finite-dimensional self-consistent field model

    SciTech Connect (OSTI)

    Padhye, N.; Horton, W.

    1998-10-09

    A low-dimensional Hamiltonian model is derived for the acceleration of ions in finite amplitude Alfven waves in a finite pressure plasma sheet. The reduced low-dimensional wave-particle Hamiltonian is useful for describing the reaction of the accelerated ions on the wave amplitudes and phases through the self-consistent fields within the envelope approximation. As an example, the authors show for a single Alfven wave in the central plasma sheet of the Earth`s geotail, modeled by the linear pinch geometry called the Harris sheet, the time variation of the wave amplitude during the acceleration of fast protons.

  16. 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.

  17. 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.

  18. Meson properties in a nonlocal SU(3) chiral quark model at finite temperature

    SciTech Connect (OSTI)

    Contrera, G. A.; Gomez Dumm, D.; Scoccola, N. N.

    2010-11-12

    Finite temperature meson properties are studied in the context of a nonlocal SU(3) quark model which includes flavor mixing and the coupling of quarks to the Polyakov loop (PL). We analyze the behavior of scalar and pseudoscalar meson masses and mixing angles, as well as quark-meson couplings and pseudoscalar meson decay constants.

  19. Quark matter and meson properties in a Nonlocal SU(3) chiral quark model at finite temperature

    SciTech Connect (OSTI)

    Gomez Dumm, D.; Contrera, G. A.

    2012-06-15

    We study the finite temperature behavior of light scalar and pseudoscalar meson properties in the context of a three-flavor nonlocal chiral quark model. The model includes mixing with active strangeness degrees of freedom, and takes care of the effect of gauge interactions by coupling the quarks with a background color field. We analyze the chiral restoration and deconfinement transitions, as well as the temperature dependence of meson masses, mixing angles, and decay constants.

  20. Mesoscale hybrid calibration artifact (Patent) | DOEPatents

    Office of Scientific and Technical Information (OSTI)

    Mesoscale hybrid calibration artifact Title: Mesoscale hybrid calibration artifact 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

  1. The finite and large-N behaviors of independent-value matrix models

    SciTech Connect (OSTI)

    Ben Geloun, Joseph; Klauder, John R.

    2014-03-15

    We investigate the finite and large N behaviors of independent-value O(N)-invariant matrix models. These are models defined with matrix-type fields and with no gradient term in their action. They are generically nonrenormalizable but can be handled by nonperturbative techniques. We find that the functional integral of any O(N) matrix trace invariant may be expressed in terms of an O(N)-invariant measure. Based on this result, we prove that, in the limit that all interaction coupling constants go to zero, any interacting theory is continuously connected to a pseudo-free theory. This theory differs radically from the familiar free theory consisting in putting the coupling constants to zero in the initial action. The proof is given for generic, finite-size matrix models, whereas, in the limiting case N ? ?, we succeed in showing this behavior for restricted types of actions using a particular scaling of the parameters.

  2. 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...

  3. Mixed-RKDG Finite Element Methods for the 2-D Hydrodynamic Model for Semiconductor Device Simulation

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

    Chen, Zhangxin; Cockburn, Bernardo; Jerome, Joseph W.; Shu, Chi-Wang

    1995-01-01

    In this paper we introduce a new method for numerically solving the equations of the hydrodynamic model for semiconductor devices in two space dimensions. The method combines a standard mixed finite element method, used to obtain directly an approximation to the electric field, with the so-called Runge-Kutta Discontinuous Galerkin (RKDG) method, originally devised for numerically solving multi-dimensional hyperbolic systems of conservation laws, which is applied here to the convective part of the equations. Numerical simulations showing the performance of the new method are displayed, and the results compared with those obtained by using Essentially Nonoscillatory (ENO) finite difference schemes. Frommore » the perspective of device modeling, these methods are robust, since they are capable of encompassing broad parameter ranges, including those for which shock formation is possible. The simulations presented here are for Gallium Arsenide at room temperature, but we have tested them much more generally with considerable success.« less

  4. 2D numerical simulation of the MEP energy-transport model with a finite difference scheme

    SciTech Connect (OSTI)

    Romano, V. . E-mail: romano@dmi.unict.it

    2007-02-10

    A finite difference scheme of Scharfetter-Gummel type is used to simulate a consistent energy-transport model for electron transport in semiconductors devices, free of any fitting parameters, formulated on the basis of the maximum entropy principle. Simulations of silicon n{sup +}-n-n{sup +} diodes, 2D-MESFET and 2D-MOSFET and comparisons with the results obtained by a direct simulation of the Boltzmann transport equation and with other energy-transport models, known in the literature, show the validity of the model and the robustness of the numerical scheme.

  5. An enriched finite element model with q-refinement for radiative boundary layers in glass cooling

    SciTech Connect (OSTI)

    Mohamed, M. Shadi; Seaid, Mohammed; Trevelyan, Jon; Laghrouche, Omar

    2014-02-01

    Radiative cooling in glass manufacturing is simulated using the partition of unity finite element method. The governing equations consist of a semi-linear transient heat equation for the temperature field and a stationary simplified P{sub 1} approximation for the radiation in non-grey semitransparent media. To integrate the coupled equations in time we consider a linearly implicit scheme in the finite element framework. A class of hyperbolic enrichment functions is proposed to resolve boundary layers near the enclosure walls. Using an industrial electromagnetic spectrum, the proposed method shows an immense reduction in the number of degrees of freedom required to achieve a certain accuracy compared to the conventional h-version finite element method. Furthermore the method shows a stable behaviour in treating the boundary layers which is shown by studying the solution close to the domain boundaries. The time integration choice is essential to implement a q-refinement procedure introduced in the current study. The enrichment is refined with respect to the steepness of the solution gradient near the domain boundary in the first few time steps and is shown to lead to a further significant reduction on top of what is already achieved with the enrichment. The performance of the proposed method is analysed for glass annealing in two enclosures where the simplified P{sub 1} approximation solution with the partition of unity method, the conventional finite element method and the finite difference method are compared to each other and to the full radiative heat transfer as well as the canonical Rosseland model.

  6. 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.

  7. 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 methods used in this study.

  8. Efficient Computation of Info-Gap Robustness for Finite Element Models

    SciTech Connect (OSTI)

    Stull, Christopher J.; Hemez, Francois M.; Williams, Brian J.

    2012-07-05

    A recent research effort at LANL proposed info-gap decision theory as a framework by which to measure the predictive maturity of numerical models. Info-gap theory explores the trade-offs between accuracy, that is, the extent to which predictions reproduce the physical measurements, and robustness, that is, the extent to which predictions are insensitive to modeling assumptions. Both accuracy and robustness are necessary to demonstrate predictive maturity. However, conducting an info-gap analysis can present a formidable challenge, from the standpoint of the required computational resources. This is because a robustness function requires the resolution of multiple optimization problems. This report offers an alternative, adjoint methodology to assess the info-gap robustness of Ax = b-like numerical models solved for a solution x. Two situations that can arise in structural analysis and design are briefly described and contextualized within the info-gap decision theory framework. The treatments of the info-gap problems, using the adjoint methodology are outlined in detail, and the latter problem is solved for four separate finite element models. As compared to statistical sampling, the proposed methodology offers highly accurate approximations of info-gap robustness functions for the finite element models considered in the report, at a small fraction of the computational cost. It is noted that this report considers only linear systems; a natural follow-on study would extend the methodologies described herein to include nonlinear systems.

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

    SciTech Connect (OSTI)

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

    2014-04-23

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

  10. Finite-Element Modeling of Electrostatic Sensors for the Flow Measurement of Particles in Pneumatic Pipelines

    SciTech Connect (OSTI)

    Krabicka, J.; Yan, Y.

    2009-08-15

    Electrostatic sensors are used in certain industries for the flow measurement of pneumatically conveyed solids. However, despite various advances that have been made in recent years, relatively little information is known about the exact nature of the electrostatic charge induced onto the sensor electrode due to moving particles, which is dependent on electrode geometry, particle distribution, and particle velocity. This paper presents a novel approach to the study of the charge induced onto electrostatic sensors based on fitting a Lorentzian curve to the results of a finite-element model of the electrostatic sensor and pipeline. The modeling method is validated by comparing the modeling results of a nonintrusive circular electrode with an established analytical solution. The modeling results are used for in-depth analysis and informed design of a particular sensor configuration.

  11. Finite Element Modeling of the Deformation of a Thin Magnetoelastic Film Compared to a Membrane Model

    SciTech Connect (OSTI)

    Barham, M; White, D; Steigmann, D; Rudd, R

    2009-04-08

    Recently a new class of biocompatible elastic polymers loaded with small ferrous particles (magnetoelastomer) was developed at Lawrence Livermore National Laboratory. This new material was formed as a thin film using spin casting. The deformation of this material using a magnetic field has many possible applications to microfluidics. Two methods will be used to calculate the deformation of a circular magneto-elastomeric film subjected to a magnetic field. The first method is an arbitrary Lagrangian-Eulerian (ALE) finite element method (FEM) and the second is based on nonlinear continuum electromagnetism and continuum elasticity in the membrane limit. The comparison of these two methods is used to test/validate the finite element method.

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

    SciTech Connect (OSTI)

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

    2014-03-14

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

  13. A new class of finite element variational multiscale turbulence models for incompressible magnetohydrodynamics

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

    Sondak, D.; Shadid, J. N.; Oberai, A. A.; Pawlowski, R. P.; Cyr, E. C.; Smith, T. M.

    2015-04-29

    New large eddy simulation (LES) turbulence models for incompressible magnetohydrodynamics (MHD) derived from the variational multiscale (VMS) formulation for finite element simulations are introduced. The new models include the variational multiscale formulation, a residual-based eddy viscosity model, and a mixed model that combines both of these component models. Each model contains terms that are proportional to the residual of the incompressible MHD equations and is therefore numerically consistent. Moreover, each model is also dynamic, in that its effect vanishes when this residual is small. The new models are tested on the decaying MHD Taylor Green vortex at low and highmore » Reynolds numbers. The evaluation of the models is based on comparisons with available data from direct numerical simulations (DNS) of the time evolution of energies as well as energy spectra at various discrete times. Thus a numerical study, on a sequence of meshes, is presented that demonstrates that the large eddy simulation approaches the DNS solution for these quantities with spatial mesh refinement.« less

  14. A new class of finite element variational multiscale turbulence models for incompressible magnetohydrodynamics

    SciTech Connect (OSTI)

    Sondak, D.; Shadid, J. N.; Oberai, A. A.; Pawlowski, R. P.; Cyr, E. C.; Smith, T. M.

    2015-04-29

    New large eddy simulation (LES) turbulence models for incompressible magnetohydrodynamics (MHD) derived from the variational multiscale (VMS) formulation for finite element simulations are introduced. The new models include the variational multiscale formulation, a residual-based eddy viscosity model, and a mixed model that combines both of these component models. Each model contains terms that are proportional to the residual of the incompressible MHD equations and is therefore numerically consistent. Moreover, each model is also dynamic, in that its effect vanishes when this residual is small. The new models are tested on the decaying MHD Taylor Green vortex at low and high Reynolds numbers. The evaluation of the models is based on comparisons with available data from direct numerical simulations (DNS) of the time evolution of energies as well as energy spectra at various discrete times. Thus a numerical study, on a sequence of meshes, is presented that demonstrates that the large eddy simulation approaches the DNS solution for these quantities with spatial mesh refinement.

  15. 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.

  16. 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 ; Schultheiß, Helmut Publication Date: 2015-08-01 OSTI Identifier: 1251245 Type: Publisher's Accepted Manuscript Journal Name: Current Opinion in Solid State and Materials Science Additional Journal Information: Journal Volume: 19; Journal Issue: 4; Journal ID: ISSN 1359-0286 Publisher: Elsevier Sponsoring Org: USDOE Country of Publication: United

  17. Implementation of the nonlocal microplane concrete model within an explicit dynamic finite element program

    SciTech Connect (OSTI)

    Cofer, W.F.

    1992-03-01

    The microplane concrete material model is based upon assumptions regarding the behavior of the material components. At any point, the response to the strain tensor on arbitrarily oriented surfaces is considered. Simple, softening stress-strain relationships are assumed in directions perpendicular and parallel to the surfaces. The macroscopic material behavior is then composed of the sum of the effects. The implementation of this model into the explicit, nonlinear, dynamic finite element program, DYNA3D, is described. To avoid the spurious mesh sensitivity that accompanies material failure, a weighted integral strain averaging approach is used to ensure that softening is nonlocal. This method is shown to be effective for limiting the failure zone in a concrete rod subjected to an impulse loading. 36 refs., 7 figs.

  18. 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.

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

    SciTech Connect (OSTI)

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

    2015-06-15

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

  20. 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

  1. Shock compression modeling of metallic single crystals: comparison of finite difference, steady wave, and analytical solutions

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

    Lloyd, Jeffrey T.; Clayton, John D.; Austin, Ryan A.; McDowell, David L.

    2015-07-10

    Background: The shock response of metallic single crystals can be captured using a micro-mechanical description of the thermoelastic-viscoplastic material response; however, using a such a description within the context of traditional numerical methods may introduce a physical artifacts. Advantages and disadvantages of complex material descriptions, in particular the viscoplastic response, must be framed within approximations introduced by numerical methods. Methods: Three methods of modeling the shock response of metallic single crystals are summarized: finite difference simulations, steady wave simulations, and algebraic solutions of the Rankine-Hugoniot jump conditions. For the former two numerical techniques, a dislocation density based framework describes themore » rate- and temperature-dependent shear strength on each slip system. For the latter analytical technique, a simple (two-parameter) rate- and temperature-independent linear hardening description is necessarily invoked to enable simultaneous solution of the governing equations. For all models, the same nonlinear thermoelastic energy potential incorporating elastic constants of up to order 3 is applied. Results: Solutions are compared for plate impact of highly symmetric orientations (all three methods) and low symmetry orientations (numerical methods only) of aluminum single crystals shocked to 5 GPa (weak shock regime) and 25 GPa (overdriven regime). Conclusions: For weak shocks, results of the two numerical methods are very similar, regardless of crystallographic orientation. For strong shocks, artificial viscosity affects the finite difference solution, and effects of transverse waves for the lower symmetry orientations not captured by the steady wave method become important. The analytical solution, which can only be applied to highly symmetric orientations, provides reasonable accuracy with regards to prediction of most variables in the final shocked state but, by construction, does not provide insight into the shock structure afforded by the numerical methods.« less

  2. 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.

  3. Finite element modeling of concentrating solar collectors for evauation of gravity loads, bending, and optical characterization.

    SciTech Connect (OSTI)

    Christian, Joshua M.; Ho, Clifford Kuofei

    2010-04-01

    Understanding the effects of gravity and wind loads on concentrating solar power (CSP) collectors is critical for performance calculations and developing more accurate alignment procedures and techniques. This paper presents a rigorous finite-element model of a parabolic trough collector that is used to determine the impact of gravity loads on bending and displacements of the mirror facets and support structure. The geometry of the LUZ LS-2 parabolic trough collector was modeled using SolidWorks, and gravity-induced loading and displacements were simulated in SolidWorks Simulation. The model of the trough collector was evaluated in two positions: the 90{sup o} position (mirrors facing upward) and the 0{sup o} position (mirrors facing horizontally). The slope errors of the mirror facet reflective surfaces were found by evaluating simulated angular displacements of node-connected segments along the mirror surface. The ideal (undeformed) shape of the mirror was compared to the shape of the deformed mirror after gravity loading. Also, slope errors were obtained by comparing the deformed shapes between the 90{sup o} and 0{sup o} positions. The slope errors resulting from comparison between the deformed vs. undeformed shape were as high as {approx}2 mrad, depending on the location of the mirror facet on the collector. The slope errors resulting from a change in orientation of the trough from the 90{sup o} position to the 0{sup o} position with gravity loading were as high as {approx}3 mrad, depending on the location of the facet.

  4. Electrical and thermal finite element modeling of arc faults in photovoltaic bypass diodes.

    SciTech Connect (OSTI)

    Bower, Ward Isaac; Quintana, Michael A.; Johnson, Jay

    2012-01-01

    Arc faults in photovoltaic (PV) modules have caused multiple rooftop fires. The arc generates a high-temperature plasma that ignites surrounding materials and subsequently spreads the fire to the building structure. While there are many possible locations in PV systems and PV modules where arcs could initiate, bypass diodes have been suspected of triggering arc faults in some modules. In order to understand the electrical and thermal phenomena associated with these events, a finite element model of a busbar and diode was created. Thermoelectrical simulations found Joule and internal diode heating from normal operation would not normally cause bypass diode or solder failures. However, if corrosion increased the contact resistance in the solder connection between the busbar and the diode leads, enough voltage potentially would be established to arc across micron-scale electrode gaps. Lastly, an analytical arc radiation model based on observed data was employed to predicted polymer ignition times. The model predicted polymer materials in the adjacent area of the diode and junction box ignite in less than 0.1 seconds.

  5. Meson properties at finite temperature in a three flavor nonlocal chiral quark model with Polyakov loop

    SciTech Connect (OSTI)

    Contrera, G. A.; Dumm, D. Gomez; Scoccola, Norberto N.

    2010-03-01

    We study the finite temperature behavior of light scalar and pseudoscalar meson properties in the context of a three-flavor nonlocal chiral quark model. The model includes mixing with active strangeness degrees of freedom, and takes care of the effect of gauge interactions by coupling the quarks with the Polyakov loop. We analyze the chiral restoration and deconfinement transitions, as well as the temperature dependence of meson masses, mixing angles and decay constants. The critical temperature is found to be T{sub c{approx_equal}}202 MeV, in better agreement with lattice results than the value recently obtained in the local SU(3) PNJL model. It is seen that above T{sub c} pseudoscalar meson masses get increased, becoming degenerate with the masses of their chiral partners. The temperatures at which this matching occurs depend on the strange quark composition of the corresponding mesons. The topological susceptibility shows a sharp decrease after the chiral transition, signalling the vanishing of the U(1){sub A} anomaly for large temperatures.

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

    Office of Scientific and Technical Information (OSTI)

    Subject: 42 ENGINEERING; DROPLETS; FLOWMETERS; MINIATURIZATION; DESIGN Microelectromechanical systems.; Fluidic devices.; Mesoscale-materials; Manufacturing processes. Word Cloud ...

  7. MODELING OF HIGH SPEED FRICTION STIR SPOT WELDING USING A LAGRANGIAN FINITE ELEMENT APPROACH

    SciTech Connect (OSTI)

    Miles, Michael; Karki, U.; Woodward, C.; Hovanski, Yuri

    2013-09-03

    Friction stir spot welding (FSSW) has been shown to be capable of joining steels of very high strength, while also being very flexible in terms of controlling the heat of welding and the resulting microstructure of the joint. This makes FSSW a potential alternative to resistance spot welding (RSW) if tool life is sufficiently high, and if machine spindle loads are sufficiently low so that the process can be implemented on an industrial robot. Robots for spot welding can typically sustain vertical loads of about 8kN, but FSSW at tool speeds of less than 3000 rpm cause loads that are too high, in the range of 11-14 kN. Therefore, in the current work tool speeds of 3000 rpm and higher were employed, in order to generate heat more quickly and to reduce welding loads to acceptable levels. The FSSW process was modeled using a finite element approach with the Forge® software package. An updated Lagrangian scheme with explicit time integration was employed to model the flow of the sheet material, subjected to boundary conditions of a rotating tool and a fixed backing plate [3]. The modeling approach can be described as two-dimensional, axisymmetric, but with an aspect of three dimensions in terms of thermal boundary conditions. Material flow was calculated from a velocity field which was two dimensional, but heat generated by friction was computed using a virtual rotational velocity component from the tool surface. An isotropic, viscoplastic Norton-Hoff law was used to model the evolution of material flow stress as a function of strain, strain rate, and temperature. The model predicted welding temperatures and the movement of the joint interface with reasonable accuracy for the welding of a dual phase 980 steel.

  8. Finite-size effects on the phase diagram of difermion condensates in two-dimensional four-fermion interaction models

    SciTech Connect (OSTI)

    Abreu, L. M.; Malbouisson, J. M. C.; Malbouisson, A. P. C.

    2011-01-15

    We investigate finite-size effects on the phase structure of chiral and difermion condensates at finite temperature and density in the framework of the two-dimensional large-N Nambu-Jona-Lasinio model. We take into account size-dependent effects by making use of zeta-function and compactification methods. The thermodynamic potential and the gap equations for the chiral and difermion condensed phases are then derived in the mean-field approximation. Size-dependent critical lines separating the different phases are obtained considering antiperiodic boundary conditions for the spatial coordinate.

  9. 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),...

  10. 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 ...

  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. FWAVE V1.0 a framework for finite difference wave equation modeling

    Energy Science and Technology Software Center (OSTI)

    2002-07-01

    FWAVE provides a computation framework for the rapid prototyping and efficient use of finite difference wave equation solutions. The user provides single grid Fortran solver components that are integrated using opaque handles to C++ distributed data structures. Permits the scientific researcher to make of clusters and parallel computers by concentrating only on the numerical schemes.

  13. A staggered-grid finite-difference scheme optimized in the timespace domain for modeling scalar-wave propagation in geophysical problems

    SciTech Connect (OSTI)

    Tan, Sirui; Huang, Lianjie

    2014-11-01

    For modeling scalar-wave propagation in geophysical problems using finite-difference schemes, optimizing the coefficients of the finite-difference operators can reduce numerical dispersion. Most optimized finite-difference schemes for modeling seismic-wave propagation suppress only spatial but not temporal dispersion errors. We develop a novel optimized finite-difference scheme for numerical scalar-wave modeling to control dispersion errors not only in space but also in time. Our optimized scheme is based on a new stencil that contains a few more grid points than the standard stencil. We design an objective function for minimizing relative errors of phase velocities of waves propagating in all directions within a given range of wavenumbers. Dispersion analysis and numerical examples demonstrate that our optimized finite-difference scheme is computationally up to 2.5 times faster than the optimized schemes using the standard stencil to achieve the similar modeling accuracy for a given 2D or 3D problem. Compared with the high-order finite-difference scheme using the same new stencil, our optimized scheme reduces 50 percent of the computational cost to achieve the similar modeling accuracy. This new optimized finite-difference scheme is particularly useful for large-scale 3D scalar-wave modeling and inversion.

  14. Moist multi-scale models for the hurricane embryo

    SciTech Connect (OSTI)

    Majda, Andrew J. [New York University; Xing, Yulong [ORNL; Mohammadian, Majid [University of Ottawa, Canada

    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.

  15. Inflection points of microcanonical entropy: Monte Carlo simulation of q state Potts model on a finite square lattice

    SciTech Connect (OSTI)

    Praveen, E. Satyanarayana, S. V. M.

    2014-04-24

    Traditional definition of phase transition involves an infinitely large system in thermodynamic limit. Finite systems such as biological proteins exhibit cooperative behavior similar to phase transitions. We employ recently discovered analysis of inflection points of microcanonical entropy to estimate the transition temperature of the phase transition in q state Potts model on a finite two dimensional square lattice for q=3 (second order) and q=8 (first order). The difference of energy density of states (DOS) ? ln g(E) = ln g(E+ ?E) ?ln g(E) exhibits a point of inflexion at a value corresponding to inverse transition temperature. This feature is common to systems exhibiting both first as well as second order transitions. While the difference of DOS registers a monotonic variation around the point of inflexion for systems exhibiting second order transition, it has an S-shape with a minimum and maximum around the point of inflexion for the case of first order transition.

  16. 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 ...

  17. 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. ...

  18. 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...

  19. 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....

  20. 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...

  1. 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;...

  2. Nonlocal Polyakov-Nambu-Jona-Lasinio model with wave function renormalization at finite temperature and chemical potential

    SciTech Connect (OSTI)

    Contrera, G. A.; Orsaria, M.; Scoccola, N. N.

    2010-09-01

    We study the phase diagram of strongly interacting matter in the framework of a nonlocal SU(2) chiral quark model which includes wave function renormalization and coupling to the Polyakov loop. Both nonlocal interactions based on the frequently used exponential form factor, and on fits to the quark mass and renormalization functions obtained in lattice calculations are considered. Special attention is paid to the determination of the critical points, both in the chiral limit and at finite quark mass. In particular, we study the position of the critical end point as well as the value of the associated critical exponents for different model parametrizations.

  3. Generating meshes for finite-difference analysis using a solid modeler

    SciTech Connect (OSTI)

    Laguna, G.W.; White, W.T.; Cabral, B.K.

    1987-09-01

    One tool used by the Engineering Research Division of LLNL to help analyze the behavior of electronic systems in hostile environments is 3D finite-difference time-domain (FDTD) computation. FDTD codes solve Maxwell's equations,the differential equations of electromagnetism, on a uniform lattice of points. It is this uniform lattice, or ''mesh,'' that distinguishes finite-difference codes from other codes. The simple mesh makes FDTD codes computationally more efficient than other codes, which enables them to run larger problems and to run faster (up to thirty times faster than finite-element codes, for example). Therefore, within the Engineering Department at LLNL, Electronics Engineering (EE) has initiated a project to develop a mesh generator that will provide meshes suitable for FDTD analysis. This report describes the results of the first year of EE's FDTD Mesh Generation Project. During this year a preliminary version of an automated mesh generator was built and used to create a mesh of an object of interest to the High-Power Microwave Program, namely an electrically detonatable land mine. The code was verified by meshing basic solids such as spheres and cylinders. Because of the design of the code, there is no software limitation to the size of meshes that can be accommodated. The algorithm with a mesh space of approximately 500,000 cells has been demonstrated. The mesh generator can detect certain objects with walls that are thinner than the width of a cell. The code has internal graphics for viewing objects as they appear prior to being converted to a finite-difference representation. Additionally, via data files, the code is coupled to two external graphics packages for visually checking the meshes, namely TAURUS on the Cray and a new code, IMAGE, on the Silicon Graphics IRIS workstation.

  4. 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.

  5. Modeling brittle fracture, slip weakening, and variable friction in geomaterials with an embedded strong discontinuity finite element.

    SciTech Connect (OSTI)

    Regueiro, Richard A.; Borja, R. I.; Foster, C. D.

    2006-10-01

    Localized shear deformation plays an important role in a number of geotechnical and geological processes. Slope failures, the formation and propagation of faults, cracking in concrete dams, and shear fractures in subsiding hydrocarbon reservoirs are examples of important effects of shear localization. Traditional engineering analyses of these phenomena, such as limit equilibrium techniques, make certain assumptions on the shape of the failure surface as well as other simplifications. While these methods may be adequate for the applications for which they were designed, it is difficult to extrapolate the results to more general scenarios. An alternative approach is to use a numerical modeling technique, such as the finite element method, to predict localization. While standard finite elements can model a wide variety of loading situations and geometries quite well, for numerical reasons they have difficulty capturing the softening and anisotropic damage that accompanies localization. By introducing an enhancement to the element in the form of a fracture surface at an arbitrary position and orientation in the element, we can regularize the solution, model the weakening response, and track the relative motion of the surfaces. To properly model the slip along these surfaces, the traction-displacement response must be properly captured. This report focuses on the development of a constitutive model appropriate to localizing geomaterials, and the embedding of this model into the enhanced finite element framework. This modeling covers two distinct phases. The first, usually brief, phase is the weakening response as the material transitions from intact continuum to a body with a cohesionless fractured surface. Once the cohesion has been eliminated, the response along the surface is completely frictional. We have focused on a rate- and state-dependent frictional model that captures stable and unstable slip along the surface. This model is embedded numerically into the element using a generalized trapezoidal formulation. While the focus is on the constitutive model of interest, the framework is also developed for a general surface response. This report summarizes the major research and development accomplishments for the LDRD project titled 'Cohesive Zone Modeling of Failure in Geomaterials: Formulation and Implementation of a Strong Discontinuity Model Incorporating the Effect of Slip Speed on Frictional Resistance'. This project supported a strategic partnership between Sandia National Laboratories and Stanford University by providing funding for the lead author, Craig Foster, during his doctoral research.

  6. 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.

  7. Staggered-grid finite-difference acoustic modeling with the Time-Domain Atmospheric Acoustic Propagation Suite (TDAAPS).

    SciTech Connect (OSTI)

    Aldridge, David Franklin; Collier, Sandra L.; Marlin, David H.; Ostashev, Vladimir E.; Symons, Neill Phillip; Wilson, D. Keith

    2005-05-01

    This document is intended to serve as a users guide for the time-domain atmospheric acoustic propagation suite (TDAAPS) program developed as part of the Department of Defense High-Performance Modernization Office (HPCMP) Common High-Performance Computing Scalable Software Initiative (CHSSI). TDAAPS performs staggered-grid finite-difference modeling of the acoustic velocity-pressure system with the incorporation of spatially inhomogeneous winds. Wherever practical the control structure of the codes are written in C++ using an object oriented design. Sections of code where a large number of calculations are required are written in C or F77 in order to enable better compiler optimization of these sections. The TDAAPS program conforms to a UNIX style calling interface. Most of the actions of the codes are controlled by adding flags to the invoking command line. This document presents a large number of examples and provides new users with the necessary background to perform acoustic modeling with TDAAPS.

  8. Finite Volume schemes on unstructured grids for non-local models: Application to the simulation of heat transport in plasmas

    SciTech Connect (OSTI)

    Goudon, Thierry; Labo. J.A. Dieudonne CNRS and Univ. Nice-Sophia Antipolis , Parc Valrose, 06108 Nice cedex 02 ; Parisot, Martin

    2012-10-15

    In the so-called Spitzer-Haerm regime, equations of plasma physics reduce to a nonlinear parabolic equation for the electronic temperature. Coming back to the derivation of this limiting equation through hydrodynamic regime arguments, one is led to construct a hierarchy of models where the heat fluxes are defined through a non-local relation which can be reinterpreted as well by introducing coupled diffusion equations. We address the question of designing numerical methods to simulate these equations. The basic requirement for the scheme is to be asymptotically consistent with the Spitzer-Haerm regime. Furthermore, the constraints of physically realistic simulations make the use of unstructured meshes unavoidable. We develop a Finite Volume scheme, based on Vertex-Based discretization, which reaches these objectives. We discuss on numerical grounds the efficiency of the method, and the ability of the generalized models in capturing relevant phenomena missed by the asymptotic problem.

  9. 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.

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

    Office of Scientific and Technical Information (OSTI)

    Office 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

  11. Global energy and water balance: Characteristics from finite-volume atmospheric model of the IAP/LASG (FAMIL1)

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

    Zhou, Linjiong; Bao, Qing; Liu, Yimin; Wu, Guoxiong; Wang, Wei-Chyung; Wang, Xiaocong; He, Bian; Yu, Haiyang; Li, Jiandong

    2015-03-01

    This paper documents version 1 of the Finite-volume Atmospheric Model of the IAP/LASG (FAMIL1), which has a flexible horizontal resolution up to a quarter of 1°. The model, currently running on the ‘‘Tianhe 1A’’ supercomputer, is the atmospheric component of the third-generation Flexible Global Ocean-Atmosphere-Land climate System model (FGOALS3) which will participate in the Coupled Model Intercomparison Project Phase 6 (CMIP6). In addition to describing the dynamical core and physical parameterizations of FAMIL1, this paper describes the simulated characteristics of energy and water balances and compares them with observational/reanalysis data. The comparisons indicate that the model simulates well the seasonalmore » and geographical distributions of radiative fluxes at the top of the atmosphere and at the surface, as well as the surface latent and sensible heat fluxes. A major weakness in the energy balance is identified in the regions where extensive and persistent marine stratocumulus is present. Analysis of the global water balance also indicates realistic seasonal and geographical distributions with the global annual mean of evaporation minus precipitation being approximately 10⁻⁵ mm d⁻¹. We also examine the connections between the global energy and water balance and discuss the possible link between the two within the context of the findings from the reanalysis data. Finally, the model biases as well as possible solutions are discussed.« less

  12. Global energy and water balance: Characteristics from finite-volume atmospheric model of the IAP/LASG (FAMIL1)

    SciTech Connect (OSTI)

    Zhou, Linjiong; Bao, Qing; Liu, Yimin; Wu, Guoxiong; Wang, Wei-Chyung; Wang, Xiaocong; He, Bian; Yu, Haiyang; Li, Jiandong

    2015-03-01

    This paper documents version 1 of the Finite-volume Atmospheric Model of the IAP/LASG (FAMIL1), which has a flexible horizontal resolution up to a quarter of 1°. The model, currently running on the ‘‘Tianhe 1A’’ supercomputer, is the atmospheric component of the third-generation Flexible Global Ocean-Atmosphere-Land climate System model (FGOALS3) which will participate in the Coupled Model Intercomparison Project Phase 6 (CMIP6). In addition to describing the dynamical core and physical parameterizations of FAMIL1, this paper describes the simulated characteristics of energy and water balances and compares them with observational/reanalysis data. The comparisons indicate that the model simulates well the seasonal and geographical distributions of radiative fluxes at the top of the atmosphere and at the surface, as well as the surface latent and sensible heat fluxes. A major weakness in the energy balance is identified in the regions where extensive and persistent marine stratocumulus is present. Analysis of the global water balance also indicates realistic seasonal and geographical distributions with the global annual mean of evaporation minus precipitation being approximately 10⁻⁵ mm d⁻¹. We also examine the connections between the global energy and water balance and discuss the possible link between the two within the context of the findings from the reanalysis data. Finally, the model biases as well as possible solutions are discussed.

  13. 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.

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

    Office of Scientific and Technical Information (OSTI)

    SEPTEMBER 2012 FROM QUANTA TO THE CONTINUUM: opportunities for MESOSCALE SCIENCE A REPORT FOR THE BASIC ENERGY SCIENCES ADVISORY COMMITTEE MESOSCALE SCIENCE SUBCOMMITTEE About the Department of Energy's Basic Energy Sciences Program Basic Energy Sciences (BES) supports fundamental research to understand, predict, and ultimately control matter and energy at the electronic, atomic, and molecular levels. This research provides the foundations for new energy technologies and supports DOE missions in

  15. 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

  16. Technical Sessions Parameterization of Convective Clouds, Mesoscale Convective Systems,

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

    Parameterization of Convective Clouds, Mesoscale Convective Systems, and Convective-Generated Clouds W. R. Cotton Department of Atmospheric Science Colorado State University Fort Collins, CO 80523 This presentation is a summary of research progress supported under the Atmospheric Radiation Measurement (ARM) project entitled "Parameterization of Convective Clouds, Mesoscale Convective Systems, and Con'o'ective-Generated Clouds." The approach used in this research is to perform explicit

  17. 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.

  18. 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.

  19. Validation of Finite-Element Models of Persistent-Current Effects in Nb3Sn Accelerator Magnets

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

    Wang, X.; Ambrosio, G.; Chlachidze, G.; Collings, E. W.; Dietderich, D. R.; DiMarco, J.; Felice, H.; Ghosh, A. K.; Godeke, A.; Gourlay, S. A.; et al

    2015-01-06

    Persistent magnetization currents are induced in superconducting filaments during the current ramping in magnets. The resulting perturbation to the design magnetic field leads to field quality degradation, in particular at low field where the effect is stronger relative to the main field. The effects observed in NbTi accelerator magnets were reproduced well with the critical-state model. However, this approach becomes less accurate for the calculation of the persistent-current effects observed in Nb3Sn accelerator magnets. Here a finite-element method based on the measured strand magnetization is validated against three state-of-art Nb3Sn accelerator magnets featuring different subelement diameters, critical currents, magnet designsmore » and measurement temperatures. The temperature dependence of the persistent-current effects is reproduced. Based on the validated model, the impact of conductor design on the persistent current effects is discussed. The performance, limitations and possible improvements of the approach are also discussed.« less

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

    SciTech Connect (OSTI)

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

    1996-05-01

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

  1. Modeling a thermionic energy converter using finite-difference time-domain particle-in-cell simulations

    SciTech Connect (OSTI)

    Lo, F. S.; Lee, T. H.; Lu, P. S.; Ragan-Kelley, B.; Plasma Theory and Simulation Group, University of California, Berkeley, California 94720 ; Minnich, A.; Division of Engineering and Applied Science, California Institute of Technology, Pasadena, California 91125 ; Lin, M. C.; Verboncoeur, J. P.; Department of Electrical and Computing Engineering, Michigan State University, East Lansing, Michigan 48824

    2014-02-15

    A thermionic energy converter (TEC) is a static device that converts heat directly into electricity by boiling electrons off a hot emitter surface across a small inter-electrode gap to a cooler collector surface. The main challenge in TECs is overcoming the space charge limit, which limits the current transmitted across a gap of a given voltage and width. We have verified the feasibility of studying and developing a TEC using a bounded finite-difference time-domain particle-in-cell plasma simulation code, OOPD1, developed by Plasma Theory and Simulation Group, formerly at UC Berkeley and now at Michigan State University. In this preliminary work, a TEC has been modeled kinetically using OOPD1, and the accuracy has been verified by comparing with an analytically solvable case, giving good agreement. With further improvement of the code, one will be able to quickly and cheaply analyze space charge effects, and seek designs that mitigate the space charge effect, allowing TECs to become more efficient and cost-effective.

  2. 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.

  3. 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

  4. 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, ...

  5. 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,...

  6. 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...

  7. 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.

  8. Deriving k·p parameters from full-Brillouin-zone descriptions: A finite-element envelope function model for quantum-confined wurtzite nanostructures

    SciTech Connect (OSTI)

    Zhou, Xiangyu; Ghione, Giovanni; Bertazzi, Francesco Goano, Michele; Bellotti, Enrico

    2014-07-21

    We present a multiband envelope-function model for wurtzite nanostructures based on a rigorous numerical procedure to determine operator ordering and band parameters from nonlocal empirical pseudopotential calculations. The proposed approach, implemented within a finite-element scheme, leads to well-posed, numerically stable envelope equations that accurately reproduce full-Brillouin-zone subband dispersions of quantum systems. Although demonstrated here for III-nitride nonlocal empirical pseudopotentials, the model provides a general theoretical framework applicable to ab initio electronic structures of wurtzite semiconductors.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. Finite element model to predict the flow of underground contaminants due to leakage of chemical and/or radio active material from a buried containment. Final technical report

    SciTech Connect (OSTI)

    Anand, S.C.; Pandit, A.

    1983-06-01

    In the investigation, a Galerkin finite element model in two dimensions is developed to study the phenomena of mass transfer in porous media. In particular, the problems of the saltwater encroachment in coastal aquifers and the transport of hazardous wastes in groundwater environment are studied for a wide range of aquifer parameters. The coupled governing partial differential equations are nondimensionalized and solved for a two-dimensional, saturated aquifer in the vertical plane for both steady state and transient conditions using an iterative solution procedure. The flow transport is represented either in terms of the stream function or the freshwater hydraulic head.

  14. 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.

  15. 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, experimentally and relatively easy to model. We were provided with bulk samples of carbon aerogel by Dr. Joe Satcher, but the shop that would have prepared mounted samples for us was overwhelmed by programmatic assignments. We are pursuing aligned carbon nanotubes, provided to us by colleagues at NASA Ames Research Center, as an alternative to aerogels. Dr. Gilmer started modeling the laser/thermally accelerated reactions of carbon with H{sub 2}, rather than O{sub 2}, due to limited information on equation of state for CO. We have extended our molecular dynamics models of ablation to include carbon in the form of graphite, vitreous carbon, and aerogels. The computer code has features that allow control of temperature, absorption of shock waves, and for the ejection of material from the computational cell. We form vitreous carbon atomic configurations by melting graphite in a microcanonical cell at a temperature of about 5000K. Quenching the molten carbon at a controlled rate of cooling yields material with a structure close to that of the vitreous carbon produced in the laboratory. To represent the aerogel, we have a computer code that connects ''graphite'' rods to randomly placed points in the 3-D computational cell. Ablation simulations yield results for vitreous carbon similar to our previous results with copper, usually involving the transient melting of the material above the threshold energy density. However, some fracturing in the solid regions occurs in this case, but was never observed in copper. These simulations are continuing, together with studies of the reaction of hydrogen with vitreous graphite at high temperatures. These reactions are qualitatively similar to that of oxygen with the carbon atoms at the surface, and the simulations should provide insight into the applicability of the use of chemical reactions to shape the surfaces of aerogels.

  16. Validation of Finite-Element Models of Persistent-Current Effects in Nb3Sn Accelerator Magnets

    SciTech Connect (OSTI)

    Wang, X.; Ambrosio, G.; Chlachidze, G.; Collings, E. W.; Dietderich, D. R.; DiMarco, J.; Felice, H.; Ghosh, A. K.; Godeke, A.; Gourlay, S. A.; Marchevsky, M.; Prestemon, S. O.; Sabbi, G.; Sumption, M. D.; Velev, G. V.; Xu, X.; Zlobin, A. V.

    2015-01-06

    Persistent magnetization currents are induced in superconducting filaments during the current ramping in magnets. The resulting perturbation to the design magnetic field leads to field quality degradation, in particular at low field where the effect is stronger relative to the main field. The effects observed in NbTi accelerator magnets were reproduced well with the critical-state model. However, this approach becomes less accurate for the calculation of the persistent-current effects observed in Nb3Sn accelerator magnets. Here a finite-element method based on the measured strand magnetization is validated against three state-of-art Nb3Sn accelerator magnets featuring different subelement diameters, critical currents, magnet designs and measurement temperatures. The temperature dependence of the persistent-current effects is reproduced. Based on the validated model, the impact of conductor design on the persistent current effects is discussed. The performance, limitations and possible improvements of the approach are also discussed.

  17. 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 ...

  18. 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.

  19. 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.

  20. 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 ...

  1. 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.

  2. 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.

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

    Office of Scientific and Technical Information (OSTI)

    in deformed crystals. 2) Formulating kinetic equations of dislocations and coupling ... the results from this investigation to complete the kinetic description of dislocations. ...

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

    Office of Scientific and Technical Information (OSTI)

    These aspects of crystal deformation are manifestations of the evolution of the underlying ... When used to predict the evolution of the dislocation system, the planar motion of ...

  5. 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.

  6. A new time-dependent analytic model for radiation-induced photocurrent in finite 1D epitaxial diodes.

    SciTech Connect (OSTI)

    Verley, Jason C.; Axness, Carl L.; Hembree, Charles Edward; Keiter, Eric Richard; Kerr, Bert

    2012-04-01

    Photocurrent generated by ionizing radiation represents a threat to microelectronics in radiation environments. Circuit simulation tools such as SPICE [1] can be used to analyze these threats, and typically rely on compact models for individual electrical components such as transistors and diodes. Compact models consist of a handful of differential and/or algebraic equations, and are derived by making simplifying assumptions to any of the many semiconductor transport equations. Historically, many photocurrent compact models have suffered from accuracy issues due to the use of qualitative approximation, rather than mathematically correct solutions to the ambipolar diffusion equation. A practical consequence of this inaccuracy is that a given model calibration is trustworthy over only a narrow range of operating conditions. This report describes work to produce improved compact models for photocurrent. Specifically, an analytic model is developed for epitaxial diode structures that have a highly doped subcollector. The analytic model is compared with both numerical TCAD calculations, as well as the compact model described in reference [2]. The new analytic model compares well against TCAD over a wide range of operating conditions, and is shown to be superior to the compact model from reference [2].

  7. Nuclear matter properties in the non-linear Walecka model at finite temperature with interaction between the ? - ? mesons

    SciTech Connect (OSTI)

    Costa, R. S.; Cortes, M. R.; Nunes, D. R.; Batista, A. S. A.

    2014-11-11

    In this work in contrast to the usual Walecka model [1] we include the interaction between the ? ? mesons [2,3] with the aim of studying the nuclear matter properties in the relativistic mean-field theory in the regime of high temperatures. Therefore in our work we use the non-linear Walecka model. We investigate whether the phase transition characteristic of other models without these interactions vanishes for a given value of chemical potential ? and baryon density ?{sub N}.

  8. Posters Single-Column Model for Atmospheric Radiation Measurement...

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

    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 ...

  9. Single-Column Modeling A Stratiform Cloud Parameterization for...

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

    parameterization originally developed for mesoscale cloud models (Tripoli and Cotton 1980, Cotton et al. 1982 and 1986, Meyers et al. 1992). These approximations are...

  10. Verification and Validation of EnergyPlus Conduction Finite Difference and Phase Change Material Models for Opaque Wall Assemblies

    SciTech Connect (OSTI)

    Tabares-Velasco, P. C.; Christensen, C.; Bianchi, M.; Booten, C.

    2012-07-01

    Phase change materials (PCMs) represent a potential technology to reduce peak loads and HVAC energy consumption in buildings. There are few building energy simulation programs that have the capability to simulate PCM but their accuracy has not been completely tested. This report summarizes NREL efforts to develop diagnostic tests cases to obtain accurate energy simulations when PCMs are modeled in residential buildings.

  11. 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

  12. 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.

  13. A high-entropy-wind r-process study based on nuclear-structure quantities from the new finite-range droplet model FRDM(2012)

    SciTech Connect (OSTI)

    Kratz, Karl-Ludwig; Farouqi, Khalil; Mller, Peter E-mail: kfarouqi@lsw.uni-heidelberg.de

    2014-09-01

    Attempts to explain the source of r-process elements in our solar system (S.S.) by particular astrophysical sites still face entwined uncertainties, stemming from the extrapolation of nuclear properties far from stability, inconsistent sources of different properties (e.g., nuclear masses and ?-decay properties), and the poor understanding of astrophysical conditions, which are hard to disentangle. In this paper we present results from the investigation of r-process in the high-entropy wind (HEW) of core-collapse supernovae (here chosen as one of the possible scenarios for this nucleosynthesis process), using new nuclear-data input calculated in a consistent approach, for masses and ?-decay properties from the new finite-range droplet model FRDM(2012). The accuracy of the new mass model is 0.56 MeV with respect to AME2003, to which it was adjusted. We compare the new HEW r-process abundance pattern to the latest S.S. r-process residuals and to our earlier calculations with the nuclear-structure quantities based on FRDM(1992). Substantial overall and specific local improvements in the calculated pattern of the r-process between A ? 110 and {sup 209}Bi, as well as remaining deficiencies, are discussed in terms of the underlying spherical and deformed shell structure far from stability.

  14. Peridynamic Multiscale Finite Element Methods

    SciTech Connect (OSTI)

    Costa, Timothy; Bond, Stephen D.; Littlewood, David John; Moore, Stan Gerald

    2015-12-01

    The problem of computing quantum-accurate design-scale solutions to mechanics problems is rich with applications and serves as the background to modern multiscale science research. The prob- lem can be broken into component problems comprised of communicating across adjacent scales, which when strung together create a pipeline for information to travel from quantum scales to design scales. Traditionally, this involves connections between a) quantum electronic structure calculations and molecular dynamics and between b) molecular dynamics and local partial differ- ential equation models at the design scale. The second step, b), is particularly challenging since the appropriate scales of molecular dynamic and local partial differential equation models do not overlap. The peridynamic model for continuum mechanics provides an advantage in this endeavor, as the basic equations of peridynamics are valid at a wide range of scales limiting from the classical partial differential equation models valid at the design scale to the scale of molecular dynamics. In this work we focus on the development of multiscale finite element methods for the peridynamic model, in an effort to create a mathematically consistent channel for microscale information to travel from the upper limits of the molecular dynamics scale to the design scale. In particular, we first develop a Nonlocal Multiscale Finite Element Method which solves the peridynamic model at multiple scales to include microscale information at the coarse-scale. We then consider a method that solves a fine-scale peridynamic model to build element-support basis functions for a coarse- scale local partial differential equation model, called the Mixed Locality Multiscale Finite Element Method. Given decades of research and development into finite element codes for the local partial differential equation models of continuum mechanics there is a strong desire to couple local and nonlocal models to leverage the speed and state of the art of local models with the flexibility and accuracy of the nonlocal peridynamic model. In the mixed locality method this coupling occurs across scales, so that the nonlocal model can be used to communicate material heterogeneity at scales inappropriate to local partial differential equation models. Additionally, the computational burden of the weak form of the peridynamic model is reduced dramatically by only requiring that the model be solved on local patches of the simulation domain which may be computed in parallel, taking advantage of the heterogeneous nature of next generation computing platforms. Addition- ally, we present a novel Galerkin framework, the 'Ambulant Galerkin Method', which represents a first step towards a unified mathematical analysis of local and nonlocal multiscale finite element methods, and whose future extension will allow the analysis of multiscale finite element methods that mix models across scales under certain assumptions of the consistency of those models.

  15. 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.

  16. 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

  17. 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.

  18. 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.

  19. On the validation of seismic imaging methods: Finite frequency...

    Office of Scientific and Technical Information (OSTI)

    approach for state of the art seismic models developed for western North America. ... on S wave phase delay measurements, finite frequency shows an improvement over ray theory. ...

  20. On the validation of seismic imaging methods: Finite frequency...

    Office of Scientific and Technical Information (OSTI)

    Title: On the validation of seismic imaging methods: Finite frequency or ray theory? We ... approach for state of the art seismic models developed for western North America. ...

  1. Finite groups and quantum physics

    SciTech Connect (OSTI)

    Kornyak, V. V.

    2013-02-15

    Concepts of quantum theory are considered from the constructive 'finite' point of view. The introduction of a continuum or other actual infinities in physics destroys constructiveness without any need for them in describing empirical observations. It is shown that quantum behavior is a natural consequence of symmetries of dynamical systems. The underlying reason is that it is impossible in principle to trace the identity of indistinguishable objects in their evolution-only information about invariant statements and values concerning such objects is available. General mathematical arguments indicate that any quantum dynamics is reducible to a sequence of permutations. Quantum phenomena, such as interference, arise in invariant subspaces of permutation representations of the symmetry group of a dynamical system. Observable quantities can be expressed in terms of permutation invariants. It is shown that nonconstructive number systems, such as complex numbers, are not needed for describing quantum phenomena. It is sufficient to employ cyclotomic numbers-a minimal extension of natural numbers that is appropriate for quantum mechanics. The use of finite groups in physics, which underlies the present approach, has an additional motivation. Numerous experiments and observations in the particle physics suggest the importance of finite groups of relatively small orders in some fundamental processes. The origin of these groups is unclear within the currently accepted theories-in particular, within the Standard Model.

  2. Finite element modeling of indentation-induced superelastic effect using a three-dimensional constitutive model for shape memory materials with plasticity

    SciTech Connect (OSTI)

    Zhang, Yijun; Cheng, Yang-Tse; Grummon, David S.

    2007-03-01

    Indentation-induced shape memory and superelastic effects are recently discovered thermo-mechanical behaviors that may find important applications in many areas of science and engineering. Theoretical understanding of these phenomena is challenging because both martensitic phase transformation and slip plasticity exist under complex contact loading conditions. In this paper, we develop a three-dimensional constitutive model of shape memory alloys with plasticity. Spherical indentation-induced superelasticity in a NiTi shape memory alloy was simulated and compared to experimental results on load-displacement curves and recovery ratios. We show that shallow indents have complete recovery upon unloading, where the size of the phase transformation region is about two times the contact radius. Deep indents have only partial recovery when plastic deformation becomes more prevalent in the indent-affected zone.

  3. SciDAC Center for Simulation of Wave-Plasma Interactions - Iterated Finite-Orbit Monte Carlo Simulations with Full-Wave Fields for Modeling Tokamak ICRF Wave Heating Experiments - Final Report

    SciTech Connect (OSTI)

    Choi, Myunghee; Chan, Vincent S.

    2014-02-28

    This final report describes the work performed under U.S. Department of Energy Cooperative Agreement DE-FC02-08ER54954 for the period April 1, 2011 through March 31, 2013. The goal of this project was to perform iterated finite-orbit Monte Carlo simulations with full-wall fields for modeling tokamak ICRF wave heating experiments. In year 1, the finite-orbit Monte-Carlo code ORBIT-RF and its iteration algorithms with the full-wave code AORSA were improved to enable systematical study of the factors responsible for the discrepancy in the simulated and the measured fast-ion FIDA signals in the DIII-D and NSTX ICRF fast-wave (FW) experiments. In year 2, ORBIT-RF was coupled to the TORIC full-wave code for a comparative study of ORBIT-RF/TORIC and ORBIT-RF/AORSA results in FW experiments.

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

    Office of Scientific and Technical Information (OSTI)

    (Technical Report) | SciTech Connect 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 Type: Technical

  5. Finite Element Analysis Code

    Energy Science and Technology Software Center (OSTI)

    2006-03-08

    MAPVAR-KD is designed to transfer solution results from one finite element mesh to another. MAPVAR-KD draws heavily from the structure and coding of MERLIN II, but it employs a new finite element data base, EXODUS II, and offers enhanced speed and new capabilities not available in MERLIN II. In keeping with the MERLIN II documentation, the computational algorithms used in MAPVAR-KD are described. User instructions are presented. Example problems are included to demonstrate the operationmore » of the code and the effects of various input options. MAPVAR-KD is a modification of MAPVAR in which the search algorithm was replaced by a kd-tree-based search for better performance on large problems.« less

  6. Twisted mass finite volume effects

    SciTech Connect (OSTI)

    Colangelo, Gilberto; Wenger, Urs; Wu, Jackson M. S.

    2010-08-01

    We calculate finite-volume effects on the pion masses and decay constant in twisted mass lattice QCD at finite lattice spacing. We show that the lighter neutral pion in twisted mass lattice QCD gives rise to finite-volume effects that are exponentially enhanced when compared to those arising from the heavier charged pions. We demonstrate that the recent two flavor twisted mass lattice data can be better fitted when twisted mass effects in finite-volume corrections are taken into account.

  7. 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.

  8. Finite Element Heat & Mass Transfer Code

    Energy Science and Technology Software Center (OSTI)

    1996-10-10

    FEHM is a numerical simulation code for subsurface transport processes. It models 3-D, time-dependent, multiphase, multicomponent, non-isothermal, reactive flow through porous and fractured media. It can accurately represent complex 3-D geologic media and structures and their effects on subsurface flow and transport. Its capabilities include flow of gas, water, and heat; flow of air, water, and heat; multiple chemically reactive and sorbing tracers; finite element/finite volume formulation; coupled stress module; saturated and unsaturated media; andmore » double porosity and double porosity/double permeability capabilities.« less

  9. Finite Element Heat & Mass Transfer Code

    Energy Science and Technology Software Center (OSTI)

    1996-10-10

    FEHM is a numerical simulation code for subsurface transport processes. It models 3-D, time-dependent, multiphase, multicomponent, non-isothermal, reactive flow through porous and fractured media. It can accurately represent complex 3-D geologic media and structures and their effects on subsurface flow and transport. Its capabilities include flow of gas, water, and heat; flow of air, water, and heat; multiple chemically reactive and sorbing tracers; finite element/finite volume formulation; coupled stress module; saturated and unsaturated media; andmoredouble porosity and double porosity/double permeability capabilities.less

  10. Finite Element Analysis Code

    Energy Science and Technology Software Center (OSTI)

    2005-06-26

    Exotxt is an analysis code that reads finite element results data stored in an exodusII file and generates a file in a structured text format. The text file can be edited or modified via a number of text formatting tools. Exotxt is used by analysis to translate data from the binary exodusII format into a structured text format which can then be edited or modified and then either translated back to exodusII format or tomore » another format.« less

  11. Finite Element Analysis Code

    Energy Science and Technology Software Center (OSTI)

    2005-05-07

    CONEX is a code for joining sequentially in time multiple exodusll database files which all represent the same base mesh topology and geometry. It is used to create a single results or restart file from multiple results or restart files which typically arise as the result of multiple restarted analyses. CONEX is used to postprocess the results from a series of finite element analyses. It can join sequentially the data from multiple results databases intomore » a single database which makes it easier to postprocess the results data.« less

  12. 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 ...

  13. 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

  14. 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.

  15. 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.

  16. Coherent neutron scattering and collective dynamics on mesoscale

    SciTech Connect (OSTI)

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

    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.

  17. 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.

  18. 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.

  19. 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.

  20. 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 prototypes to verify the design. A final high precision engine was created via LIGA. The micro-combustor was based on an excess enthalpy concept. Development of a micro-combustor included both modeling and experiments. We developed a suite of simulation tools both in support of the design of the prototype combustors, and to investigate more fundamental aspects of combustion at small scales. Issues of heat management and integration with the micro-scale Stirling engine were pursued using CFD simulations. We found that by choice of the operating conditions and channel dimensions energy conversion occurs by catalysis-dominated or catalysis-then-homogeneous phase combustion. The purpose of the experimental effort in micro-combustion was to study the feasibility and explore the design parameters of excess enthalpy combustors. The efforts were guided by the necessity for a practical device that could be implemented in a miniature power generator, or as a stand-alone device used for heat generation. Several devices were fabricated and successfully tested using methane as the fuel.

  1. Relativistic Random Phase Approximation At Finite Temperature

    SciTech Connect (OSTI)

    Niu, Y. F.; Paar, N.; Vretenar, D.; Meng, J.

    2009-08-26

    The fully self-consistent finite temperature relativistic random phase approximation (FTRRPA) has been established in the single-nucleon basis of the temperature dependent Dirac-Hartree model (FTDH) based on effective Lagrangian with density dependent meson-nucleon couplings. Illustrative calculations in the FTRRPA framework show the evolution of multipole responses of {sup 132}Sn with temperature. With increased temperature, in both monopole and dipole strength distributions additional transitions appear in the low energy region due to the new opened particle-particle and hole-hole transition channels.

  2. Finite element analysis of multilayer coextrusion.

    SciTech Connect (OSTI)

    Hopkins, Matthew Morgan; Schunk, Peter Randall; Baer, Thomas A.; Mrozek, Randy A.; Lenhart, Joseph Ludlow; Rao, Rekha Ranjana; Collins, Robert; Mondy, Lisa Ann

    2011-09-01

    Multilayer coextrusion has become a popular commercial process for producing complex polymeric products from soda bottles to reflective coatings. A numerical model of a multilayer coextrusion process is developed based on a finite element discretization and two different free-surface methods, an arbitrary-Lagrangian-Eulerian (ALE) moving mesh implementation and an Eulerian level set method, to understand the moving boundary problem associated with the polymer-polymer interface. The goal of this work is to have a numerical capability suitable for optimizing and troubleshooting the coextrusion process, circumventing flow instabilities such as ribbing and barring, and reducing variability in layer thickness. Though these instabilities can be both viscous and elastic in nature, for this work a generalized Newtonian description of the fluid is used. Models of varying degrees of complexity are investigated including stability analysis and direct three-dimensional finite element free surface approaches. The results of this work show how critical modeling can be to reduce build test cycles, improve material choices, and guide mold design.

  3. Pion dynamics at finite temperature

    SciTech Connect (OSTI)

    Toublan, D.

    1997-11-01

    The pion decay constant and mass are computed at low temperature within chiral perturbation theory to two loops. The effects of the breaking of Lorentz symmetry by the thermal equilibrium state are discussed. The validity of the Gell-Mann{endash}Oakes{endash}Renner relation at finite temperature is examined. {copyright} {ital 1997} {ital The American Physical Society}

  4. 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.

  5. On the validation of seismic imaging methods: Finite frequency or ray

    Office of Scientific and Technical Information (OSTI)

    theory? (Journal Article) | SciTech Connect On the validation of seismic imaging methods: Finite frequency or ray theory? Citation Details In-Document Search Title: On the validation of seismic imaging methods: Finite frequency or ray theory? We investigate the merits of the more recently developed finite-frequency approach to tomography against the more traditional and approximate ray theoretical approach for state of the art seismic models developed for western North America. To this end,

  6. 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.

  7. 3-D Finite Element Heat Transfer

    Energy Science and Technology Software Center (OSTI)

    1992-02-01

    TOPAZ3D is a three-dimensional implicit finite element computer code for heat transfer analysis. TOPAZ3D can be used to solve for the steady-state or transient temperature field on three-dimensional geometries. Material properties may be temperature-dependent and either isotropic or orthotropic. A variety of time-dependent and temperature-dependent boundary conditions can be specified including temperature, flux, convection, and radiation. By implementing the user subroutine feature, users can model chemical reaction kinetics and allow for any type of functionalmore » representation of boundary conditions and internal heat generation. TOPAZ3D can solve problems of diffuse and specular band radiation in an enclosure coupled with conduction in the material surrounding the enclosure. Additional features include thermal contact resistance across an interface, bulk fluids, phase change, and energy balances.« less

  8. 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

  9. 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.

  10. 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.

  11. 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.

  12. Finite Cosmology and a CMB Cold Spot

    SciTech Connect (OSTI)

    Adler, R.J.; Bjorken, J.D.; Overduin, J.M.; /Stanford U., HEPL

    2006-03-20

    The standard cosmological model posits a spatially flat universe of infinite extent. However, no observation, even in principle, could verify that the matter extends to infinity. In this work we model the universe as a finite spherical ball of dust and dark energy, and obtain a lower limit estimate of its mass and present size: the mass is at least 5 x 10{sup 23}M{sub {circle_dot}} and the present radius is at least 50 Gly. If we are not too far from the dust-ball edge we might expect to see a cold spot in the cosmic microwave background, and there might be suppression of the low multipoles in the angular power spectrum. Thus the model may be testable, at least in principle. We also obtain and discuss the geometry exterior to the dust ball; it is Schwarzschild-de Sitter with a naked singularity, and provides an interesting picture of cosmogenesis. Finally we briefly sketch how radiation and inflation eras may be incorporated into the model.

  13. 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.

  14. Assessment of a hybrid finite element and finite volume code for turbulent incompressible flows

    SciTech Connect (OSTI)

    Xia, Yidong; Wang, Chuanjin; Luo, Hong; Christon, Mark; Bakosi, Jozsef

    2015-12-15

    Hydra-TH is a hybrid finite-element/finite-volume incompressible/low-Mach flow simulation code based on the Hydra multiphysics toolkit being developed and used for thermal-hydraulics applications. In the present work, a suite of verification and validation (V&V) test problems for Hydra-TH was defined to meet the design requirements of the Consortium for Advanced Simulation of Light Water Reactors (CASL). The intent for this test problem suite is to provide baseline comparison data that demonstrates the performance of the Hydra-TH solution methods. The simulation problems vary in complexity from laminar to turbulent flows. A set of RANS and LES turbulence models were used in the simulation of four classical test problems. Numerical results obtained by Hydra-TH agreed well with either the available analytical solution or experimental data, indicating the verified and validated implementation of these turbulence models in Hydra-TH. Where possible, we have attempted some form of solution verification to identify sensitivities in the solution methods, and to suggest best practices when using the Hydra-TH code.

  15. Assessment of a hybrid finite element and finite volume code for turbulent incompressible flows

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

    Xia, Yidong; Wang, Chuanjin; Luo, Hong; Christon, Mark; Bakosi, Jozsef

    2015-12-15

    Hydra-TH is a hybrid finite-element/finite-volume incompressible/low-Mach flow simulation code based on the Hydra multiphysics toolkit being developed and used for thermal-hydraulics applications. In the present work, a suite of verification and validation (V&V) test problems for Hydra-TH was defined to meet the design requirements of the Consortium for Advanced Simulation of Light Water Reactors (CASL). The intent for this test problem suite is to provide baseline comparison data that demonstrates the performance of the Hydra-TH solution methods. The simulation problems vary in complexity from laminar to turbulent flows. A set of RANS and LES turbulence models were used in themore » simulation of four classical test problems. Numerical results obtained by Hydra-TH agreed well with either the available analytical solution or experimental data, indicating the verified and validated implementation of these turbulence models in Hydra-TH. Where possible, we have attempted some form of solution verification to identify sensitivities in the solution methods, and to suggest best practices when using the Hydra-TH code.« less

  16. Assessment of Molecular Modeling & Simulation

    SciTech Connect (OSTI)

    2002-01-03

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

  17. 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].

  18. 3-D Finite Element Code Postprocessor

    Energy Science and Technology Software Center (OSTI)

    1996-07-15

    TAURUS is an interactive post-processing application supporting visualization of finite element analysis results on unstructured grids. TAURUS provides the ability to display deformed geometries and contours or fringes of a large number of derived results on meshes consisting of beam, plate, shell, and solid type finite elements. Time history plotting is also available.

  19. SEACAS Theory Manuals: Part III. Finite Element Analysis in Nonlinear Solid Mechanics

    SciTech Connect (OSTI)

    Laursen, T.A.; Attaway, S.W.; Zadoks, R.I.

    1999-03-01

    This report outlines the application of finite element methodology to large deformation solid mechanics problems, detailing also some of the key technological issues that effective finite element formulations must address. The presentation is organized into three major portions: first, a discussion of finite element discretization from the global point of view, emphasizing the relationship between a virtual work principle and the associated fully discrete system, second, a discussion of finite element technology, emphasizing the important theoretical and practical features associated with an individual finite element; and third, detailed description of specific elements that enjoy widespread use, providing some examples of the theoretical ideas already described. Descriptions of problem formulation in nonlinear solid mechanics, nonlinear continuum mechanics, and constitutive modeling are given in three companion reports.

  20. On the validation of seismic imaging methods: Finite frequency or ray theory?

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

    Maceira, Monica; Larmat, Carene; Porritt, Robert W.; Higdon, David M.; Rowe, Charlotte A.; Allen, Richard M.

    2015-01-23

    We investigate the merits of the more recently developed finite-frequency approach to tomography against the more traditional and approximate ray theoretical approach for state of the art seismic models developed for western North America. To this end, we employ the spectral element method to assess the agreement between observations on real data and measurements made on synthetic seismograms predicted by the models under consideration. We check for phase delay agreement as well as waveform cross-correlation values. Based on statistical analyses on S wave phase delay measurements, finite frequency shows an improvement over ray theory. Random sampling using cross-correlation values identifiesmore » regions where synthetic seismograms computed with ray theory and finite-frequency models differ the most. Our study suggests that finite-frequency approaches to seismic imaging exhibit measurable improvement for pronounced low-velocity anomalies such as mantle plumes.« less

  1. Plasmoid Formation in Current Sheet with Finite Normal Magnetic...

    Office of Scientific and Technical Information (OSTI)

    Plasmoid Formation in Current Sheet with Finite Normal Magnetic Component Citation Details In-Document Search Title: Plasmoid Formation in Current Sheet with Finite Normal Magnetic ...

  2. Stochastic finite element methods for partial differential equations...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Stochastic finite element methods for partial differential equations with random input data Citation Details In-Document Search Title: Stochastic finite element ...

  3. 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.

  4. 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

  5. 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.

  6. 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.

  7. 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.

  8. Finite Element Interface to Linear Solvers

    Energy Science and Technology Software Center (OSTI)

    2005-03-18

    Sparse systems of linear equations arise in many engineering applications, including finite elements, finite volumes, and others. The solution of linear systems is often the most computationally intensive portion of the application. Depending on the complexity of problems addressed by the application, there may be no single solver capable of solving all of the linear systems that arise. This motivates the desire to switch an application from one solver librwy to another, depending on themore » problem being solved. The interfaces provided by solver libraries differ greatly, making it difficult to switch an application code from one library to another. The amount of library-specific code in an application Can be greatly reduced by having an abstraction layer between solver libraries and the application, putting a common "face" on various solver libraries. One such abstraction layer is the Finite Element Interface to Linear Solvers (EEl), which has seen significant use by finite element applications at Sandia National Laboratories and Lawrence Livermore National Laboratory.« less

  9. Nonlinear Legendre Spectral Finite Elements for Wind Turbine Blade Dynamics: Preprint

    SciTech Connect (OSTI)

    Wang, Q.; Sprague, M. A.; Jonkman, J.; Johnson, N.

    2014-01-01

    This paper presents a numerical implementation and examination of new wind turbine blade finite element model based on Geometrically Exact Beam Theory (GEBT) and a high-order spectral finite element method. The displacement-based GEBT is presented, which includes the coupling effects that exist in composite structures and geometric nonlinearity. Legendre spectral finite elements (LSFEs) are high-order finite elements with nodes located at the Gauss-Legendre-Lobatto points. LSFEs can be an order of magnitude more efficient that low-order finite elements for a given accuracy level. Interpolation of the three-dimensional rotation, a major technical barrier in large-deformation simulation, is discussed in the context of LSFEs. It is shown, by numerical example, that the high-order LSFEs, where weak forms are evaluated with nodal quadrature, do not suffer from a drawback that exists in low-order finite elements where the tangent-stiffness matrix is calculated at the Gauss points. Finally, the new LSFE code is implemented in the new FAST Modularization Framework for dynamic simulation of highly flexible composite-material wind turbine blades. The framework allows for fully interactive simulations of turbine blades in operating conditions. Numerical examples showing validation and LSFE performance will be provided in the final paper.

  10. Finite-time thermodynamic analysis of the Stirling engine

    SciTech Connect (OSTI)

    Ibrahim, O.M.; Ladas, H.G.

    1995-12-31

    This paper presents a finite-time thermodynamic analysis of the Stirling engine cycle. A lumped-parameter thermodynamic model is used to describe the dynamic behavior of the Stirling engine. The mathematical formulation of this model is based on mass and energy balances with associated heat transfer rate equations. These governing equations are formulated into a set of ordinary differential equations, which are then solved numerically to obtain the dynamic behavior of the Stirling engine. Close inspection of the governing equations reveals that the time to complete on cycle, {tau} and the engine time constant, {tau}{sub c} always appear together in a dimensionless ratio. This ratio, {tau}/{tau}{sub c}, is defined here as the Finite-Time Parameter, FTP. The effects of FTP upon power output and efficiency, are studied. The results show that there exists an optimum power output for a given engine design, based on engine speed and heat-transfer contact time. The results also provide an engineering evaluation procedure to improve the efficiency and power output of Stirling engines.

  11. 2-d Finite Element Code Postprocessor

    Energy Science and Technology Software Center (OSTI)

    1996-07-15

    ORION is an interactive program that serves as a postprocessor for the analysis programs NIKE2D, DYNA2D, TOPAZ2D, and CHEMICAL TOPAZ2D. ORION reads binary plot files generated by the two-dimensional finite element codes currently used by the Methods Development Group at LLNL. Contour and color fringe plots of a large number of quantities may be displayed on meshes consisting of triangular and quadrilateral elements. ORION can compute strain measures, interface pressures along slide lines, reaction forcesmore » along constrained boundaries, and momentum. ORION has been applied to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.« less

  12. Finite Element Results Visualization for Unstructured Grids

    Energy Science and Technology Software Center (OSTI)

    1996-07-15

    GRIZ is a general-purpose post-processing application supporting interactive visualization of finite element analysis results on unstructured grids. In addition to basic pseudocolor renderings of state variables over the mesh surface, GRIZ provides modern visualization techniques such as isocontours and isosurfaces, cutting planes, vector field display, and particle traces. GRIZ accepts both command-line and mouse-driven input, and is portable to virtually any UNIX platform which provides Motif and OpenGl libraries.

  13. Quadrilateral/hexahedral finite element mesh coarsening

    DOE Patents [OSTI]

    Staten, Matthew L; Dewey, Mark W; Scott, Michael A; Benzley, Steven E

    2012-10-16

    A technique for coarsening a finite element mesh ("FEM") is described. This technique includes identifying a coarsening region within the FEM to be coarsened. Perimeter chords running along perimeter boundaries of the coarsening region are identified. The perimeter chords are redirected to create an adaptive chord separating the coarsening region from a remainder of the FEM. The adaptive chord runs through mesh elements residing along the perimeter boundaries of the coarsening region. The adaptive chord is then extracted to coarsen the FEM.

  14. conformal decomposition finite-element method

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

    conformal decomposition finite-element method - 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 Fuel Cycle Defense Waste

  15. The Uranium Processing Facility (UPF) Finite Element Meshing Discussion

    Broader source: Energy.gov [DOE]

    The Uranium Processing Facility (UPF) Finite Element Meshing Discussion Loring Wyllie Arne Halterman Degenkolb Engineers, San Francisco

  16. 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.

  17. Radial convection of finite ion temperature, high amplitude plasma blobs

    SciTech Connect (OSTI)

    Wiesenberger, M. Kendl, A.; Madsen, J.

    2014-09-15

    We present results from simulations of seeded blob convection in the scrape-off-layer of magnetically confined fusion plasmas. We consistently incorporate high fluctuation amplitude levels and finite Larmor radius (FLR) effects using a fully nonlinear global gyrofluid model. This is in line with conditions found in tokamak scrape-off-layers (SOL) regions. Varying the ion temperature, the initial blob width, and the initial amplitude, we found an FLR dominated regime where the blob behavior is significantly different from what is predicted by cold-ion models. The transition to this regime is very well described by the ratio of the ion gyroradius to the characteristic gradient scale length of the blob. We compare the global gyrofluid model with a partly linearized local model. For low ion temperatures, we find that simulations of the global model show more coherent blobs with an increased cross-field transport compared to blobs simulated with the local model. The maximal blob amplitude is significantly higher in the global simulations than in the local ones. When the ion temperature is comparable to the electron temperature, global blob simulations show a reduced blob coherence and a decreased cross-field transport in comparison with local blob simulations.

  18. An Annotated Reference Guide to the Finite-Element Interface Specification Version 1.0

    SciTech Connect (OSTI)

    Alan B. Williams; Ivan J. Otero; Kyran D. Mish; Lee M. Tayor; Robert L. Clay

    1999-04-01

    The Finite-Element Interface (FEI) specification provides a layered abstraction that permits finite-element analysis codes to utilize various linear-algebra solution packages with minimal concern for the internal details of the solver modules. Alternatively, this interface can be viewed as a way for solver developers to provide solution services to finite-element clients without having to embed finite-element abstractions within their solver libraries. The purpose of this document is to provide some level of documentation between the bare interface specification itself, which consists only of C/C++ header files, and the full documentation suite that supports the interface definition by providing considerable detail as to its design and implementation. This document primarily provides the ''how'' of calling the interface member functions, so that programmers can readily learn how to utilize the interface implementation without having to consider all the details contained in the interface's definition, design, and motivation. The interface specification is presented three times in this document, each time with an increasing level of detail. The first presentation provides a general overview of the calling sequence, in order to acquaint the programmer with a basic introduction to how the interface is used to ''train'' the underlying solver software on the particular finite-element problem that is to be solved. The second pass through the interface definition provides considerable detail on each method, including specific considerations as to the structure of the underlying data, and an exposition of potential pitfalls that may occur as a byproduct of either the finite-element modeling process, or of the use of the associated interface implementation. Finally, a third description of the interface is given implicitly via the discussion of sample problems that provide concrete examples of the use of the finite-element interface.

  19. Finite Element Code For 3D-Hydraulic Fracture Propagation Equations (3-layer).

    Energy Science and Technology Software Center (OSTI)

    1992-03-24

    HYFRACP3D is a finite element program for simulation of a pseudo three-dimensional fracture geometries with a two-dimensional planar solution. The model predicts the height, width and winglength over time for a hydraulic fracture propagating in a three-layered system of rocks with variable rock mechanics properties.

  20. Software Library for Storing and Retrieving Mesh and Results of Finite Element

    Energy Science and Technology Software Center (OSTI)

    1997-07-07

    EXOII is a model developed to store and retrieve data for finite element analyses. It is used for preprocessing (problem definition), postprocessing (results visualization), as well as code to code transfer. An EXOII data file is a random access, machine independent, binary file that is written and read via C, C++, or Fortran library routines which comprise the Application Programming Interface (API).

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

    SciTech Connect (OSTI)

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

    2013-04-11

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

  2. Electrogalvanic finite element analysis of partially protected marine structures

    SciTech Connect (OSTI)

    Kasper, R.G.; April, M.G.

    1983-05-01

    A general finite element modeling (FEM) procedure for calculating electrogalvanic field responses due to multiple anodic/cathodic interactions has been developed. Within any defined electrolytic continuum the exact geometry and location of anodes, cathodes, and paint surfaces can now be realistically incorporated in the mathematical model formulation. The anodic/cathodic interactions in the conductive electrolyte are predicted by the application of classical d.c. electric field theory for conductive continuums in conjunction with widely accepted laboratory oxidation/reduction responses for the electrodes. The electrogalvanic fields in the electrolyte are calculated using the scalar Poisson equation whereby traditional boundary conditions are prescribed in the far field of the electrolyte. In the near field of the anodes, cathodes, and the painted metallic substrate, complex boundary conditions are enforced based on empirical polarization curves and paint impedance values. The ionic current in the electrolyte leaving the anode and arriving at the cathodes are mathematically constrained to sum to zero over the metallic surface (spatial Kirchoff's law). Three example problems (three dimensional) of an iron bar in salt water will demonstrate the electrochemical field effects due to relative anodic/cathodic spacing, anodic/cathodic geometries, and infinite paint impedance. A fourth boundary value problem (two dimensional) will illustrate the effect of a paint discontinuity (unprotected area) in the center of the otherwise painted (finite impedance) metallic substrate. The proposed electrochemical modeling procedure has the advantage of concurrently treating numerous essential electrochemical parameters for any geometric anodic/cathodic configurations consistent with the physical laws of electrochemistry.

  3. Evaluation of Cloud-resolving and Limited Area Model Intercomparison

    Office of Scientific and Technical Information (OSTI)

    Simulations using TWP-ICE Observations. Part 1: Deep Convective Updraft Properties (Journal Article) | SciTech Connect 1: Deep Convective Updraft Properties Citation Details In-Document Search Title: Evaluation of Cloud-resolving and Limited Area Model Intercomparison Simulations using TWP-ICE Observations. Part 1: Deep Convective Updraft Properties Ten 3D cloud-resolving model (CRM) simulations and four 3D limited area model (LAM) simulations of an intense mesoscale convective system

  4. Evaluation of Cloud-resolving and Limited Area Model Intercomparison

    Office of Scientific and Technical Information (OSTI)

    Simulations using TWP-ICE Observations. Part 2: Rain Microphysics (Journal Article) | SciTech Connect 2: Rain Microphysics Citation Details In-Document Search Title: Evaluation of Cloud-resolving and Limited Area Model Intercomparison Simulations using TWP-ICE Observations. Part 2: Rain Microphysics 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

  5. 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.

  6. 2-D Finite Element Heat Conduction

    Energy Science and Technology Software Center (OSTI)

    1989-10-30

    AYER is a finite element program which implicitly solves the general two-dimensional equation of thermal conduction for plane or axisymmetric bodies. AYER takes into account the effects of time (transient problems), in-plane anisotropic thermal conductivity, a three-dimensional velocity distribution, and interface thermal contact resistance. Geometry and material distributions are arbitrary, and input is via subroutines provided by the user. As a result, boundary conditions, material properties, velocity distributions, and internal power generation may be mademore » functions of, e.g., time, temperature, location, and heat flux.« less

  7. TAURUS. 3-d Finite Element Code Postprocessor

    SciTech Connect (OSTI)

    Whirley, R.G.

    1991-05-01

    TAURUS reads the binary plot files generated by the LLNL three-dimensional finite element analysis codes, NIKE3D (ESTSC 139), DYNA3D (ESTSC 138), TACO3D (ESTSC 287), TOPAZ3D (ESTSC 231), and GEMINI (ESTSC 455) and plots contours, time histories,and deformed shapes. Contours of a large number of quantities may be plotted on meshes consisting of plate, shell, and solid type elements. TAURUS can compute a variety of strain measures, reaction forces along constrained boundaries, and momentum. TAURUS has three phases: initialization, geometry display with contouring, and time history processing.

  8. TAURUS. 3-d Finite Element Code Postprocessor

    SciTech Connect (OSTI)

    Whirley, R.G.

    1992-03-03

    TAURUS reads the binary plot files generated by the LLNL three-dimensional finite element analysis codes, NIKE3D (ESTSC 139), DYNA3D (ESTSC 138), TACO3D (ESTSC 287), TOPAZ3D (ESTSC 231), and GEMINI (ESTSC 455) and plots contours, time histories,and deformed shapes. Contours of a large number of quantities may be plotted on meshes consisting of plate, shell, and solid type elements. TAURUS can compute a variety of strain measures, reaction forces along constrained boundaries, and momentum. TAURUS has three phases: initialization, geometry display with contouring, and time history processing.

  9. TAURUS. 3-D Finite Element Code Postprocessor

    SciTech Connect (OSTI)

    Whirley, R.G.

    1984-05-01

    TAURUS reads the binary plot files generated by the LLNL three-dimensional finite element analysis codes, NIKE3D, DYNA3D, TACO3D, TOPAZ3D, and GEMINI and plots contours, time histories,and deformed shapes. Contours of a large number of quantities may be plotted on meshes consisting of plate, shell, and solid type elements. TAURUS can compute a variety of strain measures, reaction forces along constrained boundaries, and momentum. TAURUS has three phases: initialization, geometry display with contouring, and time history processing.

  10. TAURUS. 3-D Finite Element Code Postprocessor

    SciTech Connect (OSTI)

    Whirley, R.G.

    1993-11-30

    TAURUS reads the binary plot files generated by the LLNL three-dimensional finite element analysis codes, NIKE3D, DYNA3D, TACO3D, TOPAZ3D, and GEMINI and plots contours, time histories,and deformed shapes. Contours of a large number of quantities may be plotted on meshes consisting of plate, shell, and solid type elements. TAURUS can compute a variety of strain measures, reaction forces along constrained boundaries, and momentum. TAURUS has three phases: initialization, geometry display with contouring, and time history processing.

  11. TAURUS. 3-D Finite Element Code Postprocessor

    SciTech Connect (OSTI)

    Whirley, R.G.

    1992-03-03

    TAURUS reads the binary plot files generated by the LLNL three-dimensional finite element analysis codes, NIKE3D, DYNA3D, TACO3D, TOPAZ3D, and GEMINI and plots contours, time histories,and deformed shapes. Contours of a large number of quantities may be plotted on meshes consisting of plate, shell, and solid type elements. TAURUS can compute a variety of strain measures, reaction forces along constrained boundaries, and momentum. TAURUS has three phases: initialization, geometry display with contouring, and time history processing.

  12. TAURUS. 3-D Finite Element Code Postprocessor

    SciTech Connect (OSTI)

    Kennedy, T.

    1992-03-03

    TAURUS reads the binary plot files generated by the LLNL three-dimensional finite element analysis codes, NIKE3D, DYNA3D, TACO3D, TOPAZ3D, and GEMINI and plots contours, time histories, and deformed shapes. Contours of a large number of quantities may be plotted on meshes consisting of plate, shell, and solid type elements. TAURUS can compute a variety of strain measures, reaction forces along constrained boundaries, and momentum. TAURUS has three phases: initialization, geometry display with contouring, and time history processing.

  13. 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 located at the Florida International University Applied Research Center, Miami, FL (FIU-ARC). A follow-on fluid injection test was developed to detect fluid and ion migration in a cementitious material/grouted test cube using a limited number of existing embedded sensor systems. This In Situ Decommissioning Sensor Network, Meso-Scale Test Bed (ISDSN-MSTB) - Phase 3 Fluid Injection Test Summary Report summarizes the test implementation, acquired and processed data, and results from the activated embedded sensor systems used during the fluid injection test. The ISDSN-MSTB Phase 3 Fluid Injection Test was conducted from August 27 through September 6, 2013 at the FIU-ARC ISDSN-MSTB test cube. The fluid injection test activated a portion of the existing embedded sensor systems in the ISDSN-MSTB test cube: Electrical Resistivity Tomography-Thermocouple Sensor Arrays, Advance Tensiometer Sensors, and Fiber Loop Ringdown Optical Sensors. These embedded sensor systems were activated 15 months after initial placement. All sensor systems were remotely operated and data acquisition was completed through the established Sensor Remote Access System (SRAS) hosted on the DOE D&D Knowledge Management Information Tool (D&D DKM-IT) server. The ISDN Phase 3 Fluid Injection Test successfully demonstrated the feasibility of embedding sensor systems to assess moisture-fluid flow and resulting transport potential for contaminate mobility through a cementitious material/grout monolith. The ISDSN embedded sensor systems activated for the fluid injection test highlighted the robustness of the sensor systems and the importance of configuring systems in-depth (i.e., complementary sensors and measurements) to alleviate data acquisition gaps.

  14. Finite element analyses of a linear-accelerator electron gun

    SciTech Connect (OSTI)

    Iqbal, M. E-mail: muniqbal@ihep.ac.cn; Wasy, A.; Islam, G. U.; Zhou, Z.

    2014-02-15

    Thermo-structural analyses of the Beijing Electron-Positron Collider (BEPCII) linear-accelerator, electron gun, were performed for the gun operating with the cathode at 1000 °C. The gun was modeled in computer aided three-dimensional interactive application for finite element analyses through ANSYS workbench. This was followed by simulations using the SLAC electron beam trajectory program EGUN for beam optics analyses. The simulations were compared with experimental results of the assembly to verify its beam parameters under the same boundary conditions. Simulation and test results were found to be in good agreement and hence confirmed the design parameters under the defined operating temperature. The gun is operating continuously since commissioning without any thermal induced failures for the BEPCII linear accelerator.

  15. 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.

  16. A Finite Element Model Of Self-Resonating Bimorph Microcantilever...

    Office of Scientific and Technical Information (OSTI)

    and the efficiency of energy recycling using the proposed structure has been investigated. ... play a key role in dominating the cycling frequency and efficiency of energy recycling. ...

  17. The generalized finite element method applied to the dynamic...

    Office of Scientific and Technical Information (OSTI)

    Title: The generalized finite element method applied to the dynamic response of heterogeneous media. Authors: Robbins, Joshua ; Voth, Thomas E. Publication Date: 2013-02-01 OSTI ...

  18. Discrete phase space based on finite fields (Journal Article...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Discrete phase space based on finite fields Citation Details In-Document ... OSTI Identifier: 20649890 Resource Type: Journal Article Resource Relation: Journal Name: ...

  19. Microscopic description of fission dynamics: finite element method...

    Office of Scientific and Technical Information (OSTI)

    Title: Microscopic description of fission dynamics: finite element method resolution of ... This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and ...

  20. Electromagnetic eXtended Finite Elements for Accurate Resolution...

    Office of Scientific and Technical Information (OSTI)

    Title: Electromagnetic eXtended Finite Elements for Accurate Resolution of Multi-Material Cells. Abstract not provided. Authors: Siefert, Christopher ; Voth, Thomas Eugene ; ...

  1. Numerical analysis for finite-range multitype stochastic contact financial market dynamic systems

    SciTech Connect (OSTI)

    Yang, Ge; Wang, Jun; Fang, Wen

    2015-04-15

    In an attempt to reproduce and study the dynamics of financial markets, a random agent-based financial price model is developed and investigated by the finite-range multitype contact dynamic system, in which the interaction and dispersal of different types of investment attitudes in a stock market are imitated by viruses spreading. With different parameters of birth rates and finite-range, the normalized return series are simulated by Monte Carlo simulation method and numerical studied by power-law distribution analysis and autocorrelation analysis. To better understand the nonlinear dynamics of the return series, a q-order autocorrelation function and a multi-autocorrelation function are also defined in this work. The comparisons of statistical behaviors of return series from the agent-based model and the daily historical market returns of Shanghai Composite Index and Shenzhen Component Index indicate that the proposed model is a reasonable qualitative explanation for the price formation process of stock market systems.

  2. Modeling

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

    Caterpillar, Sandia CRADA Opens Door to Multiple Research Projects Capabilities, Computational Modeling & Simulation, CRF, Materials Science, Modeling, Modeling, Modeling & ...

  3. 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 experiments, special experimental methods were devised to create similar boundary conditions in the iron films. Preliminary MFM studies conducted on single and polycrystalline iron films with small sub-areas created with focused ion beam have correlated quite well qualitatively with phase-field simulations. However, phase-field model dimensions are still small relative to experiments thus far. We are in the process of increasing the size of the models and decreasing specimen size so both have identical dimensions. Ongoing research is focused on validation of the phase-field model. Validation is being accomplished through comparison with experimentally obtained MFM images (in progress), and planned measurements of major hysteresis loops and first order reversal curves. Extrapolation of simulation sizes to represent a more stochastic bulk-like system will require sampling of various simulations (i.e., with single non-magnetic defect, single magnetic defect, single grain boundary, single dislocation, etc.) with distributions of input parameters. These outputs can then be compared to laboratory magnetic measurements and ultimately to simulate magnetic Barkhausen noise signals.

  4. Modular Finite Element Methods Library Version: 1.0

    Energy Science and Technology Software Center (OSTI)

    2010-06-22

    MFEM is a general, modular library for finite element methods. It provides a variety of finite element spaces and bilinear/linear forms in 2D and 3D. MFEM also includes classes for dealing with various types of meshes and their refinement.

  5. Generalized multiscale finite-element method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media

    SciTech Connect (OSTI)

    Gao, Kai; Fu, Shubin; Gibson, Richard L.; Chung, Eric T.; Efendiev, Yalchin

    2015-04-14

    It is important to develop fast yet accurate numerical methods for seismic wave propagation to characterize complex geological structures and oil and gas reservoirs. However, the computational cost of conventional numerical modeling methods, such as finite-difference method and finite-element method, becomes prohibitively expensive when applied to very large models. We propose a Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media, where we construct basis functions from multiple local problems for both the boundaries and interior of a coarse node support or coarse element. The application of multiscale basis functions can capture the fine scale medium property variations, and allows us to greatly reduce the degrees of freedom that are required to implement the modeling compared with conventional finite-element method for wave equation, while restricting the error to low values. We formulate the continuous Galerkin and discontinuous Galerkin formulation of the multiscale method, both of which have pros and cons. Applications of the multiscale method to three heterogeneous models show that our multiscale method can effectively model the elastic wave propagation in anisotropic media with a significant reduction in the degrees of freedom in the modeling system.

  6. Generalized multiscale finite-element method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media

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

    Gao, Kai; Fu, Shubin; Gibson, Richard L.; Chung, Eric T.; Efendiev, Yalchin

    2015-04-14

    It is important to develop fast yet accurate numerical methods for seismic wave propagation to characterize complex geological structures and oil and gas reservoirs. However, the computational cost of conventional numerical modeling methods, such as finite-difference method and finite-element method, becomes prohibitively expensive when applied to very large models. We propose a Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media, where we construct basis functions from multiple local problems for both the boundaries and interior of a coarse node support or coarse element. The application of multiscale basis functions can capture the fine scale mediummore » property variations, and allows us to greatly reduce the degrees of freedom that are required to implement the modeling compared with conventional finite-element method for wave equation, while restricting the error to low values. We formulate the continuous Galerkin and discontinuous Galerkin formulation of the multiscale method, both of which have pros and cons. Applications of the multiscale method to three heterogeneous models show that our multiscale method can effectively model the elastic wave propagation in anisotropic media with a significant reduction in the degrees of freedom in the modeling system.« less

  7. Documentation of Hybrid Hydride Model for Incorporation into Moose-Bison

    Energy Savers [EERE]

    and Validation Strategy | Department of Energy Documentation of Hybrid Hydride Model for Incorporation into Moose-Bison and Validation Strategy Documentation of Hybrid Hydride Model for Incorporation into Moose-Bison and Validation Strategy 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 used nuclear fuels that may occur during long-term dry

  8. Modeling fluid flow in deformation bands with stabilized localization...

    Office of Scientific and Technical Information (OSTI)

    Modeling fluid flow in deformation bands with stabilized localization mixed finite elements. Citation Details In-Document Search Title: Modeling fluid flow in deformation bands...

  9. An h-adaptive finite element method for turbulent heat transfer

    SciTech Connect (OSTI)

    Carriington, David B [Los Alamos National Laboratory

    2009-01-01

    A two-equation turbulence closure model (k-{omega}) using an h-adaptive grid technique and finite element method (FEM) has been developed to simulate low Mach flow and heat transfer. These flows are applicable to many flows in engineering and environmental sciences. Of particular interest in the engineering modeling areas are: combustion, solidification, and heat exchanger design. Flows for indoor air quality modeling and atmospheric pollution transport are typical types of environmental flows modeled with this method. The numerical method is based on a hybrid finite element model using an equal-order projection process. The model includes thermal and species transport, localized mesh refinement (h-adaptive) and Petrov-Galerkin weighting for the stabilizing the advection. This work develops the continuum model of a two-equation turbulence closure method. The fractional step solution method is stated along with the h-adaptive grid method (Carrington and Pepper, 2002). Solutions are presented for 2d flow over a backward-facing step.

  10. Chiral Jacobians and two-dimensional QED at finite temperature

    SciTech Connect (OSTI)

    Reuter, M.; Dittrich, W.

    1985-07-15

    We show that in massless two-dimensional QED there is no restoration of gauge symmetry at finite temperature (because the boson mass is temperature independent), using zeta-function techniques to solve the fermionic determinant exactly.

  11. Electromagnetic eXtended Finite Elements for Accurate Resolution of

    Office of Scientific and Technical Information (OSTI)

    Multi-Material Cells. (Conference) | SciTech Connect Electromagnetic eXtended Finite Elements for Accurate Resolution of Multi-Material Cells. Citation Details In-Document Search Title: Electromagnetic eXtended Finite Elements for Accurate Resolution of Multi-Material Cells. Abstract not provided. Authors: Siefert, Christopher ; Voth, Thomas Eugene ; Bochev, Pavel B. Publication Date: 2012-04-01 OSTI Identifier: 1117558 Report Number(s): SAND2012-3076C 481119 DOE Contract Number:

  12. Metallic quantum critical points with finite BCS couplings (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect Metallic quantum critical points with finite BCS couplings Citation Details In-Document Search This content will become publicly available on November 2, 2016 Title: Metallic quantum critical points with finite BCS couplings Authors: Raghu, S. ; Torroba, Gonzalo ; Wang, Huajia Publication Date: 2015-11-03 OSTI Identifier: 1224923 Grant/Contract Number: AC02-76SF00515 Type: Publisher's Accepted Manuscript Journal Name: Physical Review B Additional Journal

  13. Microscopic description of fission dynamics: finite element method

    Office of Scientific and Technical Information (OSTI)

    resolution of the TDGCM+GOA equation (Conference) | SciTech Connect Conference: Microscopic description of fission dynamics: finite element method resolution of the TDGCM+GOA equation Citation Details In-Document Search Title: Microscopic description of fission dynamics: finite element method resolution of the TDGCM+GOA equation Authors: Regnier, D ; Dubray, N ; Schunck, N ; Verriere, M Publication Date: 2015-10-16 OSTI Identifier: 1239187 Report Number(s): LLNL-PROC-678472 DOE Contract

  14. Stochastic finite element methods for partial differential equations with

    Office of Scientific and Technical Information (OSTI)

    random input data (Journal Article) | SciTech Connect Journal Article: Stochastic finite element methods for partial differential equations with random input data Citation Details In-Document Search Title: Stochastic finite element methods for partial differential equations with random input data Authors: Gunzburger, Max D [1] ; Webster, Clayton G [1] ; Zhang, Guannan [1] + Show Author Affiliations ORNL Publication Date: 2014-01-01 OSTI Identifier: 1159494 DOE Contract Number:

  15. Plasmoid Formation in Current Sheet with Finite Normal Magnetic Component

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Plasmoid Formation in Current Sheet with Finite Normal Magnetic Component Citation Details In-Document Search Title: Plasmoid Formation in Current Sheet with Finite Normal Magnetic Component Authors: Zhu, P. ; Raeder, J. Publication Date: 2013-06-07 OSTI Identifier: 1102825 Type: Publisher's Accepted Manuscript Journal Name: Physical Review Letters Additional Journal Information: Journal Volume: 110; Journal Issue: 23; Journal ID: ISSN 0031-9007 Publisher:

  16. Summation by Parts Finite Difference Approximations for Seismic and

    Office of Scientific and Technical Information (OSTI)

    Seismo-Acoustic Computations (Conference) | SciTech Connect Conference: Summation by Parts Finite Difference Approximations for Seismic and Seismo-Acoustic Computations Citation Details In-Document Search Title: Summation by Parts Finite Difference Approximations for Seismic and Seismo-Acoustic Computations Authors: Sjogreen, B ; Petersson, N A Publication Date: 2014-08-19 OSTI Identifier: 1165780 Report Number(s): LLNL-PROC-659087 DOE Contract Number: DE-AC52-07NA27344 Resource Type:

  17. Average dynamics of a finite set of coupled phase oscillators

    SciTech Connect (OSTI)

    Dima, Germn C. Mindlin, Gabriel B.

    2014-06-15

    We study the solutions of a dynamical system describing the average activity of an infinitely large set of driven coupled excitable units. We compared their topological organization with that reconstructed from the numerical integration of finite sets. In this way, we present a strategy to establish the pertinence of approximating the dynamics of finite sets of coupled nonlinear units by the dynamics of its infinitely large surrogate.

  18. DYNA3D: A nonlinear, explicit, three-dimensional finite element...

    Office of Scientific and Technical Information (OSTI)

    three-dimensional finite element code for solid and structural mechanics, User manual. ... three-dimensional finite element code for solid and structural mechanics, User manual. ...

  19. Parallel 3D Finite Element Particle-in-Cell Simulations with Pic3P

    SciTech Connect (OSTI)

    Candel, A.; Kabel, A.; Lee, L.; Li, Z.; Ng, C.; Schussman, G.; Ko, K.; Ben-Zvi, I.; Kewisch, J.; /Brookhaven

    2009-06-19

    SLAC's Advanced Computations Department (ACD) has developed the parallel 3D Finite Element electromagnetic Particle-In-Cell code Pic3P. Designed for simulations of beam-cavity interactions dominated by space charge effects, Pic3P solves the complete set of Maxwell-Lorentz equations self-consistently and includes space-charge, retardation and boundary effects from first principles. Higher-order Finite Element methods with adaptive refinement on conformal unstructured meshes lead to highly efficient use of computational resources. Massively parallel processing with dynamic load balancing enables large-scale modeling of photoinjectors with unprecedented accuracy, aiding the design and operation of next-generation accelerator facilities. Applications include the LCLS RF gun and the BNL polarized SRF gun.

  20. 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.

  1. Modeling

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

    Permalink Wind Generator Modeling Computational Modeling & Simulation, Energy, Energy Surety, Grid Integration, Infrastructure Security, Modeling, Modeling & Analysis, News, News & Events, Renewable Energy, SMART Grid, Systems Analysis, Transmission Grid Integration, Wind Energy Wind Generator Modeling This modular block diagram represents the major components of the generic dynamic wind turbine generator models. Model blocks and parameters are used to represent the different wind

  2. Element choices for explicit and implicit nonlinear finite-element computation. ISPRA courses on structural dynamics - lecture notes

    SciTech Connect (OSTI)

    Goudreau, G.L.

    1983-05-01

    The confrontation of the finite element technology with the awesome number crunching required for the nonlinear problem has forced a new assessment. The finite element community discovered that for impact, wave propagation and even slower impulsively driven dynamic problems, the finite difference hydrocodes were much more efficient, albeit requiring contorted mesh topologies to model practical geometries and fifty thousand time steps to follow a quasi-static process or reach static equilibrium. The experience of engineering analysis at the Lawrence Livermore National Laboratory has straddled both worlds, and the intent of this lecture is to review choices in the context of the two and three dimensional implicit and explicit Lagrangian codes developed in our Methods Development Group. The explicit DYNA2D and DYNA3D and implicit NIKE2D and NIKE3D of Hallquist form the focus of this discussion.

  3. Mimetic finite difference method for the stokes problem on polygonal meshes

    SciTech Connect (OSTI)

    Lipnikov, K; Beirao Da Veiga, L; Gyrya, V; Manzini, G

    2009-01-01

    Various approaches to extend the finite element methods to non-traditional elements (pyramids, polyhedra, etc.) have been developed over the last decade. Building of basis functions for such elements is a challenging task and may require extensive geometry analysis. The mimetic finite difference (MFD) method has many similarities with low-order finite element methods. Both methods try to preserve fundamental properties of physical and mathematical models. The essential difference is that the MFD method uses only the surface representation of discrete unknowns to build stiffness and mass matrices. Since no extension inside the mesh element is required, practical implementation of the MFD method is simple for polygonal meshes that may include degenerate and non-convex elements. In this article, we develop a MFD method for the Stokes problem on arbitrary polygonal meshes. The method is constructed for tensor coefficients, which will allow to apply it to the linear elasticity problem. The numerical experiments show the second-order convergence for the velocity variable and the first-order for the pressure.

  4. FEHMN 1.0: Finite element heat and mass transfer code; Revision 1

    SciTech Connect (OSTI)

    Zyvoloski, G.; Dash, Z.; Kelkar, S.

    1992-05-01

    A computer code is described which can simulate non-isothermal multi-phase multicomponent flow in porous media. It is applicable to natural-state studies of geothermal systems and groundwater flow. The equations of heat and mass transfer for multiphase flow in porous and permeable media are solved sing the finite element method. The permeability and porosity of the medium are allowed to depend on pressure and temperature. The code also has provisions for movable air and water phases and noncoupled tracers; that is, tracer solutions that do not affect the heat and mass transfer solutions. The tracers can be passive or reactive. The code can simulate two-dimensional, two-dimensional radial, or three-dimensional geometries. A summary of the equations in the model and the numerical solution procedure are provided in this report. A user`s guide and sample problems are also included. The FEHMN (Finite Element Heat and Mass Nuclear) code, described in this report, is a version of FEHM (Finite Element Heat and Mass, Zyvoloski et al., 1988) developed for the Yucca Mountain Site Characterization Project (YMP). The main use of FEHMN will be to assist in the understanding of flow fields in the saturated zone below the potential Yucca Mountain repository.

  5. Finite Element Solver for Fission Dynamics

    Energy Science and Technology Software Center (OSTI)

    2015-01-30

    FELIX is a physics computer code used to model fission fragment mass distributions in a fully quantum-mechanical, misroscopic framework that only relies on our current knowledge of nuclear forces. It is an implementation of the time-dependent generator coordinate method (TDGCM), which simulates the dynamics of a collective quantum wave-packet assuming the motion is adiabatic. In typical applications of the TDGCM, the nuclear collective wavepacket is obtained as a superposition of wavefunctions obtained by solving themore » Hartree-Fock-Bogoliubov equations of nuclear density functional theory (DFT). The program calculates at each time step the coefficients of that superposition.« less

  6. Finite volume effects for nucleon and heavy meson masses

    SciTech Connect (OSTI)

    Colangelo, Gilberto; Fuhrer, Andreas; Lanz, Stefan

    2010-08-01

    We apply the resummed version of the Luescher formula to analyze finite volume corrections to the mass of the nucleon and of heavy mesons. We show that by applying the subthreshold expansion of the scattering amplitudes one can express the finite volume corrections in terms of only a few physical observables and the size of the box. In the case of the nucleon, the available information about the quark mass dependence of these physical quantities is discussed and used to assess the finite volume corrections to the nucleon mass as a function of the quark mass including a detailed analysis of the remaining uncertainties. For heavy mesons, the Luescher formula is derived both fully relativistically and in a nonrelativistic approximation and a first attempt at a numerical analysis is made.

  7. AnisWave2D: User's Guide to the 2d Anisotropic Finite-DifferenceCode

    SciTech Connect (OSTI)

    Toomey, Aoife

    2005-01-06

    This document describes a parallel finite-difference code for modeling wave propagation in 2D, fully anisotropic materials. The code utilizes a mesh refinement scheme to improve computational efficiency. Mesh refinement allows the grid spacing to be tailored to the velocity model, so that fine grid spacing can be used in low velocity zones where the seismic wavelength is short, and coarse grid spacing can be used in zones with higher material velocities. Over-sampling of the seismic wavefield in high velocity zones is therefore avoided. The code has been implemented to run in parallel over multiple processors and allows large-scale models and models with large velocity contrasts to be simulated with ease.

  8. Distribution of occupation numbers in finite Fermi systems and role of interaction in chaos and thermalization

    SciTech Connect (OSTI)

    Flambaum, V.V.; Izrailev, F.M. [School of Physics, University of New South Wales, Sydney 2052 (Australia)] [School of Physics, University of New South Wales, Sydney 2052 (Australia)

    1997-01-01

    A method is developed for calculation of single-particle occupation numbers in finite Fermi systems of interacting particles. It is more accurate than the canonical distribution method and gives the Fermi-Dirac distribution in the limit of large number of particles. It is shown that statistical effects of the interaction are absorbed by an increase of the effective temperature. Criteria for quantum chaos and statistical equilibrium are considered. All results are confirmed by numerical experiments in the two-body random interaction model. {copyright} {ital 1997} {ital The American Physical Society}

  9. Finite size effects in the static structure factor of dusty plasmas

    SciTech Connect (OSTI)

    Davletov, A. E. Yerimbetova, L. T.; Mukhametkarimov, Ye. S.; Ospanova, A. K.

    2014-07-15

    Based on the previously developed pseudopotential model of the dust particles interaction, which takes into account both the finite size and screening effects, the equilibrium distribution functions are investigated in a broad range of plasma parameters. The treatment stems entirely from the renormalization theory of plasma particles interactions which leads to the so-called generalized Poisson-Boltzmann equation. In particular, an analytical expression for the static structure factor of the dust particles is proposed and its non-monotonic behavior in the hyper-netted chain approximation is found in a specified domain of plasma parameters to indicate the formation of short- or even long-range order in the system.

  10. Low-field diamagnetic response of granular superconductors at finite temperatures

    SciTech Connect (OSTI)

    Auletta, C.; Raiconi, G. ); De Luca, R.; Pace, S. )

    1994-05-01

    We study the low-field diamagnetic response of granular superconductors at finite temperatures by means of a simple two-dimensional Josephson-junction array. The temperature effects are taken into account by inserting white-noise current sources in parallel to the resistively shunted junction circuit models of the Josephson junctions of the network. By this analysis we argue that a simplified one-dimensional description of the equivalent circuit, proposed by the authors for cylindrical granular superconductors, is still valid even in the presence of thermally activated flux jumps. A flux-creep picture for intergranular flux motion follows.

  11. Finite Cloud Effects at the ACRF TWP Site Patrick Taylor and Robert G. Ellingson

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

    Finite Cloud Effects at the ACRF TWP Site Patrick Taylor and Robert G. Ellingson Dept. of Meteorology, Florida State University, Tallahassee, FL 32306 Data: Observations are taken at the ACRF TWP Site from June 1999 through May 2003 and obtained from the ARM Data Archive.  These instruments are used to extract cloud field parameters using the frozen turbulence approximation. The cloud parameters are used as input in to the PCLoS Models to determine N e . Summary and Conclusions:  62

  12. Modeling

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

    PVLibMatlab Permalink Gallery Sandia Labs Releases New Version of PVLib Toolbox Modeling, News, Photovoltaic, 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 systems. The version 1.3 release includes the following added functions: functions to estimate parameters for popular PV module models, including PVsyst and the CEC '5 parameter' model a new model of the effects of solar

  13. Finite element thermomechanical simulation of droplets impacting on a rigid substrate

    SciTech Connect (OSTI)

    Bertagnolli, M.; Marchese, M.; Jacucci, G.; St. Doltsinis, I.; Noelting, S.

    1994-12-31

    The plasma spray process is a convenient way to coat a piece of material with a layer of another material, to protect the first from thermal shock or environmental degradation. Finite Element simulation techniques (FEM) for the spreading process of a ceramic liquid droplet impacting on a flat cold surface have been developed. The goal of the present investigation is (1) to predict the geometrical form of the splat as a function of process parameters, such as initial temperature and velocity, and (2) to follow the thermal field developing in the droplet up to solidification. A non-linear finite element procedure has been extended in order to model the complex physical phenomena involved in the impact process. The dynamic motion of the viscous melt in the drops as constrained by elastic surface tensions in interaction with the developing contact with the target, ultimately has been coupled to transient thermal phenomena accounting also for the solidification of the material. In a first model description, spherical particles of liquid ceramic of given temperature and velocity impact on a flat, cool rigid surface. The deformation of the splat geometry as well as the evolution of the thermal field within the splat are followed up to the final state and require adaptive discretization techniques. The authors discuss an utilization of the proposed model in correlating flattening degrees with the initial process parameters.

  14. Finite-element analysis of an epoxy-curing process

    SciTech Connect (OSTI)

    Gartling, D K; Hickox, C E; Nunziato, J W

    1983-01-01

    A finite element numerical procedure is used to study the curing of an epoxy compound. The problem involves the gelation of an incompressible liquid due to an exothermic chemical reaction. Nonuniform temperature fields produce buoyancy-driven fluid motions that interact with the solidifying material. The numerical simulations provide temperature histories and the progression of the gel front that are compared with experimental data.

  15. Modeling

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

    Engine Combustion/Modeling Modelingadmin2015-10-28T01:54:52+00:00 Modelers at the CRF are developing high-fidelity simulation tools for engine combustion and detailed micro-kinetic, surface chemistry modeling tools for catalyst-based exhaust aftertreatment 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 understanding of the fundamental processes involved in engine combustion

  16. Modeling

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

    Reacting Flow/Modeling Modelingadmin2015-10-28T02:39:13+00:00 Turbulence models typically involve coarse-graining and/or time averaging. Though adequate for modeling mean transport, this approach does not address turbulence-microphysics interactions that are important in combustion processes. Subgrid models are developed to represent these interactions. The CRF has developed a fundamentally different representation of these interactions that does not involve distinct coarse-grained and subgrid

  17. Effect of Finite Pulse Length and Laser Frequency Chirp on HGHG and EEHG Seeding

    SciTech Connect (OSTI)

    Stupakov, G.; /SLAC

    2011-11-18

    Theoretical studies of high-gain harmonic generation (HGHG) and echo-enabled harmonic generation (EEHG) often start from a simplified model in which the beam is assumed infinitely long and longitudinally uniform and the laser induced energy modulation is perfectly sinusoidal and of infinite duration. In such a model the resulting seed has a spectrum consisting of a collection of delta-functions (of zero width) located at the harmonics of the laser frequency. Being a useful tool for study of the seed bunching amplitudes, such a model cannot be used for realistic analysis the spectral properties of the seed. In this paper we take into account the finite duration of the laser pulse as well as some possible laser phase errors to study their effect on the spectrum of the seed.

  18. Numerical Modeling At Coso Geothermal Area (2006) | Open Energy...

    Open Energy Info (EERE)

    transport and exchange analysis Notes Finite element models of single-phase, variable-density fluid flow, conductive- convective heat transfer, fluid-rock isotope exchange, and...

  19. Weakly nonlinear Rayleigh-Taylor instability of a finite-thickness fluid layer

    SciTech Connect (OSTI)

    Wang, L. F. Ye, W. H. Liu, Jie; He, X. T.; Guo, H. Y.; Wu, J. F. Zhang, W. Y.

    2014-12-15

    A weakly nonlinear (WN) model has been developed for the Rayleigh-Taylor instability of a finite-thickness incompressible fluid layer (slab). We derive the coupling evolution equations for perturbations on the (upper) “linearly stable” and (lower) “linearly unstable” interfaces of the slab. Expressions of temporal evolutions of the amplitudes of the perturbation first three harmonics on the upper and lower interfaces are obtained. The classical feedthrough (interface coupling) solution obtained by Taylor [Proc. R. Soc. London A 201, 192 (1950)] is readily recovered by the first-order results. Our third-order model can depict the WN perturbation growth and the saturation of linear (exponential) growth of the perturbation fundamental mode on both interfaces. The dependence of the WN perturbation growth and the slab distortion on the normalized layer thickness (kd) is analytically investigated via the third-order solutions. Comparison is made with Jacobs-Catton's formula [J. W. Jacobs and I. Catton, J. Fluid Mech. 187, 329 (1988)] of the position of the “linearly unstable” interface. Using a reduced formula, the saturation amplitude of linear growth of the perturbation fundamental mode is studied. It is found that the finite-thickness effects play a dominant role in the WN evolution of the slab, especially when kd < 1. Thus, it should be included in applications where the interface coupling effects are important, such as inertial confinement fusion implosions and supernova explosions.

  20. Three-dimensional finite element impact analysis of a nuclear waste truck cask

    SciTech Connect (OSTI)

    Miller, J.D.

    1985-05-01

    A three-dimensional finite element impact analysis of a hypothetical accident event for the preliminary design of a shipping cask to be used to transport radioactive waste by standard tractor-semitrailer truck is presented. The dynamic structural analysis code DYNA3D, run on Sandia's Cray-1 computer, was used to calculate the effects of the closure-end of the cask impacting a rigid, frictionless surface on an edge of its external impact limiter after a 30-foot fall. The center of gravity of the 304 stainless steel and depleted uranium cask was assumed to be directly above the impact point. An elastic-plastic material constitutive model was used to calculate the nonlinear response of the cask components to the transient loading. Results from the calculations show the cask sustained large localized deformations. However, these were almost entirely confined to the impact limiters built into the cask. The closure sections were determined to remain intact and leakage would not be expected after the event. Interactive color computer graphics were used throughout the analysis, proving to be extremely helpful for generation and verification of the geometry and boundary conditions of the finite element model and for interpretation of the analysis results. 12 refs., 29 figs., 4 tabs.

  1. On the Numerical Dispersion of Electromagnetic Particle-In-Cell Code : Finite Grid Instability

    SciTech Connect (OSTI)

    Meyers, Michael David; Huang, Chengkun; Zeng, Yong; Yi, Sunghwan; Albright, Brian James

    2014-07-15

    The Particle-In-Cell (PIC) method is widely used in relativistic particle beam and laser plasma modeling. However, the PIC method exhibits numerical instabilities that can render unphysical simulation results or even destroy the simulation. For electromagnetic relativistic beam and plasma modeling, the most relevant numerical instabilities are the finite grid instability and the numerical Cherenkov instability. We review the numerical dispersion relation of the electromagnetic PIC algorithm to analyze the origin of these instabilities. We rigorously derive the faithful 3D numerical dispersion of the PIC algorithm, and then specialize to the Yee FDTD scheme. In particular, we account for the manner in which the PIC algorithm updates and samples the fields and distribution function. Temporal and spatial phase factors from solving Maxwell's equations on the Yee grid with the leapfrog scheme are also explicitly accounted for. Numerical solutions to the electrostatic-like modes in the 1D dispersion relation for a cold drifting plasma are obtained for parameters of interest. In the succeeding analysis, we investigate how the finite grid instability arises from the interaction of the numerical 1D modes admitted in the system and their aliases. The most significant interaction is due critically to the correct representation of the operators in the dispersion relation. We obtain a simple analytic expression for the peak growth rate due to this interaction.

  2. Modeling

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

    WVMinputs-outputs Permalink Gallery Sandia Labs releases wavelet variability model (WVM) Modeling, News, Photovoltaic, Solar Sandia Labs releases wavelet variability model (WVM) When a single solar photovoltaic (PV) module is in full sunlight, then is shaded by a cloud, and is back in full sunlight in a matter of seconds, a sharp dip then increase in power output will result. However, over an entire PV plant, clouds will often uncover some modules even as they cover others, [...] By Andrea

  3. Modeling

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

    A rail tank car of the type used to transport crude oil across North America. Recent incidents have raised concerns about the safety of this practice, which the DOE-DOT-sponsored team is investigating. (photo credit: Harvey Henkelmann) Permalink Gallery Expansion of DOE-DOT Tight Oil Research Work Capabilities, Carbon Capture & Storage, Carbon Storage, Energy, Energy Assurance, Energy Assurance, Fuel Options, Infrastructure Assurance, Infrastructure Security, Modeling, Modeling, Modeling

  4. Use of finite volume radiation for predicting the Knudsen minimum in 2D channel flow

    SciTech Connect (OSTI)

    Malhotra, Chetan P.; Mahajan, Roop L.

    2014-12-09

    In an earlier paper we employed an analogy between surface-to-surface radiation and free-molecular flow to model Knudsen flow through tubes and onto planes. In the current paper we extend the analogy between thermal radiation and molecular flow to model the flow of a gas in a 2D channel across all regimes of rarefaction. To accomplish this, we break down the problem of gaseous flow into three sub-problems (self-diffusion, mass-motion and generation of pressure gradient) and use the finite volume method for modeling radiation through participating media to model the transport in each sub-problem as a radiation problem. We first model molecular self-diffusion in the stationary gas by modeling the transport of the molecular number density through the gas starting from the analytical asymptote for free-molecular flow to the kinetic theory limit of gaseous self-diffusion. We then model the transport of momentum through the gas at unit pressure gradient to predict Poiseuille flow and slip flow in the 2D gas. Lastly, we predict the generation of pressure gradient within the gas due to molecular collisions by modeling the transport of the forces generated due to collisions per unit volume of gas. We then proceed to combine the three radiation problems to predict flow of the gas over the entire Knudsen number regime from free-molecular to transition to continuum flow and successfully capture the Knudsen minimum at Kn ? 1.

  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)

    ... Renewable Energy, Research & Capabilities, Wind Energy, Wind News|0 Comments Read More ... Energy, Research & Capabilities, Water Power Sandia Modifies Delft3D Turbine Model ...

  7. Cohesive Zone Model User Element

    Energy Science and Technology Software Center (OSTI)

    2007-04-17

    Cohesive Zone Model User Element (CZM UEL) is an implementation of a Cohesive Zone Model as an element for use in finite element simulations. CZM UEL computes a nodal force vector and stiffness matrix from a vector of nodal displacements. It is designed for structural analysts using finite element software to predict crack initiation, crack propagation, and the effect of a crack on the rest of a structure.

  8. 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...

  9. 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...

  10. Nonlinear gyrokinetic theory for finite-BETA plasmas

    SciTech Connect (OSTI)

    Hahm, T.S.; Lee, W.W.; Brizard, A.

    1988-02-01

    A self-consistent and energy-conserving set of nonlinear gyrokinetic equations, consisting of the averaged Vlasov and Maxwell's equations for finite-..beta.. plasmas, is derived. The method utilized in the present investigation is based on the Hamiltonian formalism and Lie transformation. The resulting formation is valid for arbitrary values of k/perpendicular//rho//sub i/ and, therefore, is most suitable for studying linear and nonlinear evolution of microinstabilities in tokamak plasmas as well as other areas of plasma physics where the finite Larmor radius effects are important. Because the underlying Hamiltonian structure is preserved in the present formalism, these equations are directly applicable to numerical studies based on the existing gyrokinetic particle simulation techniques. 31 refs.

  11. Finite-size effects on the radiative energy loss of a fast parton...

    Office of Scientific and Technical Information (OSTI)

    This is done by introducing the concept of a radiation rate in the presence of finite-size effects. This effectively extends the finite-temperature approach of Arnold, Moore, and ...

  12. 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 little heavy rain events. With longer timescales one can improve the distribution, particularly for the extreme rain rates. Ultimately, without changing other aspects of the physics, one must choose between accurate diurnal timing and rain amount when choosing an appropriate convective timescale.« less

  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 rain events. With longer timescales one can improve the distribution, particularly for the extreme rain rates. Ultimately, without changing other aspects of the physics, one must choose between accurate diurnal timing and rain amount when choosing an appropriate convective timescale.

  14. 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 rain events. With longer timescales one can improve the distribution, particularly for the extreme rain rates. Ultimately, without changing other aspects of the physics, one must choose between accurate diurnal timing and rain amount when choosing an appropriate convective timescale.

  15. Overview of gyrokinetic studies of finite-β microturbulence

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

    60 This content was downloaded on 01/07/2015 at 20:58 Please note that terms and conditions apply. Overview of gyrokinetic studies of finite- microturbulence View the table of contents for this issue, or go to the journal homepage for more 2015 Nucl. Fusion 55 104011 (http://iopscience.iop.org/0029-5515/55/10/104011) Home Search Collections Journals About Contact us My IOPscience | International Atomic Energy Agency Nuclear Fusion Nucl. Fusion 55 (2015) 104011 (12pp)

  16. Finite-size instabilities in nuclear energy density functionals

    SciTech Connect (OSTI)

    Hellemans, V.; Heenen, P.-H.; Bender, M.

    2012-10-20

    The systematic lack of convergence of self-consistent mean-field calculations with certain parameterizations of the Skyrme energy density functional has been attributed to the appearance of finite-size instabilities. In this contribution, we investigate what happens at the instability associated with the C{sub 0}{sup {Delta}s}s{sub 0} Dot-Operator {Delta}s{sub 0} term in a high-spin state of the superdeformed band in {sup 194}Hg.

  17. Computing traveltime and amplitude sensitivity kernels in finite-frequency tomography

    SciTech Connect (OSTI)

    Tian Yue Montelli, Raffaella; Nolet, Guust; Dahlen, F.A.

    2007-10-01

    The efficient computation of finite-frequency traveltime and amplitude sensitivity kernels for velocity and attenuation perturbations in global seismic tomography poses problems both of numerical precision and of validity of the paraxial approximation used. We investigate these aspects, using a local model parameterization in the form of a tetrahedral grid with linear interpolation in between grid nodes. The matrix coefficients of the linear inverse problem involve a volume integral of the product of the finite-frequency kernel with the basis functions that represent the linear interpolation. We use local and global tests as well as analytical expressions to test the numerical precision of the frequency and spatial quadrature. There is a trade-off between narrowing the bandpass filter and quadrature accuracy and efficiency. Using a minimum step size of 10 km for S waves and 30 km for SS waves, relative errors in the quadrature are of the order of 1% for direct waves such as S, and a few percent for SS waves, which are below data uncertainties in delay time or amplitude anomaly observations in global seismology. Larger errors may occur wherever the sensitivity extends over a large volume and the paraxial approximation breaks down at large distance from the ray. This is especially noticeable for minimax phases such as SS waves with periods >20 s, when kernels become hyperbolic near the reflection point and appreciable sensitivity extends over thousands of km. Errors becomes intolerable at epicentral distance near the antipode when sensitivity extends over all azimuths in the mantle. Effects of such errors may become noticeable at epicentral distances > 140{sup o}. We conclude that the paraxial approximation offers an efficient method for computing the matrix system for finite-frequency inversions in global tomography, though care should be taken near reflection points, and alternative methods are needed to compute sensitivity near the antipode.

  18. Finite Mach number spherical shock wave, application to shock ignition

    SciTech Connect (OSTI)

    Vallet, A.; Ribeyre, X.; Tikhonchuk, V.

    2013-08-15

    A converging and diverging spherical shock wave with a finite initial Mach number M{sub s0} is described by using a perturbative approach over a small parameter M{sub s}{sup ?2}. The zeroth order solution is the Guderley's self-similar solution. The first order correction to this solution accounts for the effects of the shock strength. Whereas it was constant in the Guderley's asymptotic solution, the amplification factor of the finite amplitude shock ?(t)?dU{sub s}/dR{sub s} now varies in time. The coefficients present in its series form are iteratively calculated so that the solution does not undergo any singular behavior apart from the position of the shock. The analytical form of the corrected solution in the vicinity of singular points provides a better physical understanding of the finite shock Mach number effects. The correction affects mainly the flow density and the pressure after the shock rebound. In application to the shock ignition scheme, it is shown that the ignition criterion is modified by more than 20% if the fuel pressure prior to the final shock is taken into account. A good agreement is obtained with hydrodynamic simulations using a Lagrangian code.

  19. Finite field-dependent symmetries in perturbative quantum gravity

    SciTech Connect (OSTI)

    Upadhyay, Sudhaker

    2014-01-15

    In this paper we discuss the absolutely anticommuting nilpotent symmetries for perturbative quantum gravity in general curved spacetime in linear and non-linear gauges. Further, we analyze the finite field-dependent BRST (FFBRST) transformation for perturbative quantum gravity in general curved spacetime. The FFBRST transformation changes the gauge-fixing and ghost parts of the perturbative quantum gravity within functional integration. However, the operation of such symmetry transformation on the generating functional of perturbative quantum gravity does not affect the theory on physical ground. The FFBRST transformation with appropriate choices of finite BRST parameter connects non-linear CurciFerrari and Landau gauges of perturbative quantum gravity. The validity of the results is also established at quantum level using BatalinVilkovisky (BV) formulation. -- Highlights: The perturbative quantum gravity is treated as gauge theory. BRST and anti-BRST transformations are developed in linear and non-linear gauges. BRST transformation is generalized by making it finite and field dependent. Connection between linear and non-linear gauges is established. Using BV formulation the results are established at quantum level also.

  20. HYDRA, A finite element computational fluid dynamics code: User manual

    SciTech Connect (OSTI)

    Christon, M.A.

    1995-06-01

    HYDRA is a finite element code which has been developed specifically to attack the class of transient, incompressible, viscous, computational fluid dynamics problems which are predominant in the world which surrounds us. The goal for HYDRA has been to achieve high performance across a spectrum of supercomputer architectures without sacrificing any of the aspects of the finite element method which make it so flexible and permit application to a broad class of problems. As supercomputer algorithms evolve, the continuing development of HYDRA will strive to achieve optimal mappings of the most advanced flow solution algorithms onto supercomputer architectures. HYDRA has drawn upon the many years of finite element expertise constituted by DYNA3D and NIKE3D Certain key architectural ideas from both DYNA3D and NIKE3D have been adopted and further improved to fit the advanced dynamic memory management and data structures implemented in HYDRA. The philosophy for HYDRA is to focus on mapping flow algorithms to computer architectures to try and achieve a high level of performance, rather than just performing a port.

  1. Seismic Analysis of a Rockfill Dam by FLAC Finite Difference Code

    SciTech Connect (OSTI)

    Miglio, Livia; Pagliaroli, Alessandro; Lanzo, Giuseppe; Miliziano, Salvatore

    2008-07-08

    The paper presents the results of numerical analyses carried out with FLAC finite difference code aiming at investigating the seismic response of rockfill dams. In particular the hysteretic damping model, recently incorporated within the code, coupled with a perfectly plastic yield criterion, was employed. As first step, 1D and 2D calibration analyses were performed and comparisons with the results supplied by well known linear equivalent and fully non linear codes were carried out. Then the seismic response of E1 Infiernillo rockfill dam was investigated during two weak and strong seismic events. Benefits and shortcomings of using the hysteretic damping model are discussed in the light of the results obtained from calibration studies and field-scale analyses.

  2. On finite density effects on cosmic reheating and moduli decay and implications for Dark Matter production

    SciTech Connect (OSTI)

    Drewes, Marco

    2014-11-01

    We study the damping of an oscillating scalar field in a Friedmann-Robertson-Walker spacetime by perturbative processes, taking into account the back-reaction of the plasma of decay products on the damping rate. The scalar field may be identified with the inflaton, in which case this process resembles the reheating of the universe after inflation. It can also model a modulus that dominates the energy density of the universe at later times. We find that the finite density corrections to the damping rate can have a drastic effect on the thermal history and considerably increase both, the maximal temperature in the early universe and the reheating temperature at the onset of the radiation dominated era. As a result the abundance of some Dark Matter candidates may be considerably larger than previously estimated. We give improved analytic estimates for the maximal and the reheating temperatures and confirm them numerically in a simple model.

  3. 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

  4. 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 ...

  5. Finite element simulation of magnetic detection of creep damage at seam welds

    SciTech Connect (OSTI)

    Sablik, M.J.; Rubin, S.W.; Jiles, D.C.; Kaminski, D.; Bi, Y.

    1996-09-01

    Using appropriately modified magnetization curves for each element of creep-damaged material, a finite element calculation has been carried out to simulate magnetic detection of non-uniform creep damage around a seam weld in a 2.25 Cr 1 Mo steam pipe. The magnetization curves for the creep-damaged elements were obtained from an earlier model for the magnetic effect of a uniformly creep-damaged material as given by Chen, et al. In the finite element calculation, a magnetic C-core with primary and secondary coils was placed with its pole pieces flush against the specimen in the vicinity of the weld. The secondary emf was shown to be reduced when creep damage was present inside the pipe wall at the cusp of weld and in the vicinity of the cusp. The C-core detected the creep damage best if it completely spanned the weld seam width. Also, the current in the primary needed to be such that the C-core was not magnetically saturated.

  6. Modeling

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

    in warm dense matter experiments with diffuse interface methods in the ALE-AMR code Wangyi Liu ∗ , John Barnard, Alex Friedman, Nathan Masters, Aaron Fisher, Velemir Mlaker, Alice Koniges, David Eder † August 4, 2011 Abstract In this paper we describe an implementation of a single-fluid inter- face model in the ALE-AMR code to simulate surface tension effects. The model does not require explicit information on the physical state of the two phases. The only change to the existing fluid

  7. DYNA3D: a finite element program for supercomputers

    SciTech Connect (OSTI)

    Benson, D.J.; Hallquist, J.O.

    1986-01-01

    DYNA3D is an explicit three-dimensional finite element code for analyzing the large deformation dynamic response of inelastic solids and structures. A contact-impact algorithm permits gaps and sliding along material interfaces with friction. By a specialization of this algorithm, such interfaces can be rigidly tied to admit variable zoning without the need of transition regions. Spatial discretization is achieved by the use of 8-node solid elements, 2-node beam elements, 4-node shell elements, 8-node solid shell elements, and rigid bodies. The equations-of-motion are integrated in time by the central difference method. 8 refs., 15 figs.

  8. Nonlocal microscopic theory of Casimir forces at finite temperature

    SciTech Connect (OSTI)

    Despoja, V.; Marusic, L.

    2011-04-15

    The interaction energy between two metallic slabs in the retarded limit at finite temperature is expressed in terms of surface polariton propagators for separate slabs, avoiding the usual matching procedure, with both diamagnetic and paramagnetic excitations included correctly. This enables appropriate treatment of arbitrary electron density profiles and fully nonlocal electronic response, including both collective and single-particle excitations. The results are verified by performing the nonretarded and long-wavelength (local) limits and showing that they reduce to the previously obtained expressions. Possibilities for practical use of the theory are explored by applying it to calculation of various contributions to the Casimir energy between two silver slabs.

  9. Vacuum polarization at finite temperature and density in QED

    SciTech Connect (OSTI)

    Ahmed, K.; Masood, S.S. )

    1991-05-01

    The authors calculate to first order in {alpha}, finite temperature and density (FTD) corrections to vacuum polarization in the framework of QED. The limiting values of the vacuum polarization tensor when the temperature of the heat bath T is sufficiently high are subject to physical interpretation and compared to the previously existing works. The FTD corrections to the electric permittivity, the magnetic permeability of the medium, the anomalous magnetic moment of the electron, the charge renormalization constant Z{sub 3}, and the running coupling constant are also calculated and comparison with the previous work furnished wherever possible.

  10. Full wave simulation of waves in ECRIS plasmas based on the finite element method

    SciTech Connect (OSTI)

    Torrisi, G.; Mascali, D.; Neri, L.; Castro, G.; Patti, G.; Celona, L.; Gammino, S.; Ciavola, G.; Di Donato, L.; Sorbello, G.; Isernia, T.

    2014-02-12

    This paper describes the modeling and the full wave numerical simulation of electromagnetic waves propagation and absorption in an anisotropic magnetized plasma filling the resonant cavity of an electron cyclotron resonance ion source (ECRIS). The model assumes inhomogeneous, dispersive and tensorial constitutive relations. Maxwell's equations are solved by the finite element method (FEM), using the COMSOL Multiphysics{sup } suite. All the relevant details have been considered in the model, including the non uniform external magnetostatic field used for plasma confinement, the local electron density profile resulting in the full-3D non uniform magnetized plasma complex dielectric tensor. The more accurate plasma simulations clearly show the importance of cavity effect on wave propagation and the effects of a resonant surface. These studies are the pillars for an improved ECRIS plasma modeling, that is mandatory to optimize the ion source output (beam intensity distribution and charge state, especially). Any new project concerning the advanced ECRIS design will take benefit by an adequate modeling of self-consistent wave absorption simulations.

  11. Modeling

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

    Sandia Co-Hosts "Climate Risk Forum: Bridging Climate Science and Actuarial Practice" This Fall event was a follow-up to a Climate and Environment Program Area meeting with the California governor's office in July. There, the California Insurance Commissioner, Dave Jones, recognized the value of Sandia's climate-impact modeling and analysis work, led by Stephen Conrad (manager of Sandia's Resilience and Regulatory Effects Dept.), and wanted to connect that [...] By

  12. Some aspects of sheet forming simulation using explicit finite element techniques

    SciTech Connect (OSTI)

    Whirley, R.G.; Engelmann, B.E.; Logan, R.W.

    1992-07-28

    This paper discusses some aspects of the application of the explicit nonlinear finite element code DYNA3D to the numerical simulation of sheet forming processes. Although DYNA3D is intrinisically a code for transient dynamic response, it has been successfully applied to the quasistatic sheet forming problem by slow application of the loads. Although somewhat nontraditional, this approach has proven very robust in application to large-scale problems. This paper discusses the components of a successful sheet forming analysis, including constitutive modeling, contact definition, guidelines for load application, and some suggestions for solution evaluation. Further, this paper illustrates the use of DYNA3D to compute the Limiting Draw Ratio as a function of material anisotropy and compares the computed results for 3-D forming problems with experimental data.

  13. Three-Dimensional Finite Difference Simulation of Ground Motions from the August 24, 2014 South Napa Earthquake

    SciTech Connect (OSTI)

    Rodgers, Arthur J.; Dreger, Douglas S.; Pitarka, Arben

    2015-06-15

    We performed three-dimensional (3D) anelastic ground motion simulations of the South Napa earthquake to investigate the performance of different finite rupture models and the effects of 3D structure on the observed wavefield. We considered rupture models reported by Dreger et al. (2015), Ji et al., (2015), Wei et al. (2015) and Melgar et al. (2015). We used the SW4 anelastic finite difference code developed at Lawrence Livermore National Laboratory (Petersson and Sjogreen, 2013) and distributed by the Computational Infrastructure for Geodynamics. This code can compute the seismic response for fully 3D sub-surface models, including surface topography and linear anelasticity. We use the 3D geologic/seismic model of the San Francisco Bay Area developed by the United States Geological Survey (Aagaard et al., 2008, 2010). Evaluation of earlier versions of this model indicated that the structure can reproduce main features of observed waveforms from moderate earthquakes (Rodgers et al., 2008; Kim et al., 2010). Simulations were performed for a domain covering local distances (< 25 km) and resolution providing simulated ground motions valid to 1 Hz.

  14. Thermodynamics of the polaron master equation at finite bias

    SciTech Connect (OSTI)

    Krause, Thilo Brandes, Tobias; Schaller, Gernot; Esposito, Massimiliano

    2015-04-07

    We study coherent transport through a double quantum dot. Its two electronic leads induce electronic matter and energy transport and a phonon reservoir contributes further energy exchanges. By treating the system-lead couplings perturbatively, whereas the coupling to vibrations is treated non-perturbatively in a polaron-transformed frame, we derive a thermodynamic consistent low-dimensional master equation. When the number of phonon modes is finite, a Markovian description is only possible when these couple symmetrically to both quantum dots. For a continuum of phonon modes however, also asymmetric couplings can be described with a Markovian master equation. We compute the electronic current and dephasing rate. The electronic current enables transport spectroscopy of the phonon frequency and displays signatures of Franck-Condon blockade. For infinite external bias but finite tunneling bandwidths, we find oscillations in the current as a function of the internal bias due to the electron-phonon coupling. Furthermore, we derive the full fluctuation theorem and show its identity to the entropy production in the system.

  15. Finite axisymmetric charged dust disks in conformastatic spacetimes

    SciTech Connect (OSTI)

    Gonzalez, Guillermo A.; Gutierrez-Pineres, Antonio C.; Ospina, Paolo A.

    2008-09-15

    An infinite family of axisymmetric charged dust disks of finite extension is presented. The disks are obtained by solving the vacuum Einstein-Maxwell equations for conformastatic spacetimes, which are characterized by only one metric function. In order to obtain the solutions, a functional relationship between the metric function and the electric potential is assumed. It is also assumed that the metric function is functionally dependent on another auxiliary function, which is taken as a solution of the Laplace equation. The solutions for the auxiliary function are then taken as given by the infinite family of generalized Kalnajs disks recently obtained by Gonzalez and Reina [G. A. Gonzalez and J. I. Reina, Mon. Not. R. Astron. Soc. 371, 1873 (2006).], expressed in terms of the oblate spheroidal coordinates and corresponding to a family of well-behaved Newtonian axisymmetric thin disks of finite radius. The obtained relativistic thin disks have a charge density that is equal, except maybe by a sign, to their mass density, in such a way that the electric and gravitational forces are in exact balance. The energy density of the disks is everywhere positive and well behaved, vanishing at the edge. Accordingly, as the disks are made of dust, their energy-momentum tensor agrees with all the energy conditions.

  16. OBTAINING POTENTIAL FIELD SOLUTIONS WITH SPHERICAL HARMONICS AND FINITE DIFFERENCES

    SciTech Connect (OSTI)

    Toth, Gabor; Van der Holst, Bart; Huang Zhenguang

    2011-05-10

    Potential magnetic field solutions can be obtained based on the synoptic magnetograms of the Sun. Traditionally, a spherical harmonics decomposition of the magnetogram is used to construct the current- and divergence-free magnetic field solution. This method works reasonably well when the order of spherical harmonics is limited to be small relative to the resolution of the magnetogram, although some artifacts, such as ringing, can arise around sharp features. When the number of spherical harmonics is increased, however, using the raw magnetogram data given on a grid that is uniform in the sine of the latitude coordinate can result in inaccurate and unreliable results, especially in the polar regions close to the Sun. We discuss here two approaches that can mitigate or completely avoid these problems: (1) remeshing the magnetogram onto a grid with uniform resolution in latitude and limiting the highest order of the spherical harmonics to the anti-alias limit; (2) using an iterative finite difference algorithm to solve for the potential field. The naive and the improved numerical solutions are compared for actual magnetograms and the differences are found to be rather dramatic. We made our new Finite Difference Iterative Potential-field Solver (FDIPS) a publicly available code so that other researchers can also use it as an alternative to the spherical harmonics approach.

  17. Finite Energy and Bounded Attacks on Control System Sensor Signals

    SciTech Connect (OSTI)

    Djouadi, Seddik M; Melin, Alexander M; Ferragut, Erik M; Laska, Jason A

    2014-01-01

    Control system networks are increasingly being connected to enterprise level networks. These connections leave critical industrial controls systems vulnerable to cyber-attacks. Most of the effort in protecting these cyber-physical systems (CPS) has been in securing the networks using information security techniques and protection and reliability concerns at the control system level against random hardware and software failures. However, besides these failures the inability of information security techniques to protect against all intrusions means that the control system must be resilient to various signal attacks for which new analysis and detection methods need to be developed. In this paper, sensor signal attacks are analyzed for observer-based controlled systems. The threat surface for sensor signal attacks is subdivided into denial of service, finite energy, and bounded attacks. In particular, the error signals between states of attack free systems and systems subject to these attacks are quantified. Optimal sensor and actuator signal attacks for the finite and infinite horizon linear quadratic (LQ) control in terms of maximizing the corresponding cost functions are computed. The closed-loop system under optimal signal attacks are provided. Illustrative numerical examples are provided together with an application to a power network with distributed LQ controllers.

  18. Hollow cylindrical plasma filament waveguide with discontinuous finite thickness cladding

    SciTech Connect (OSTI)

    Alshershby, Mostafa; Hao Zuoqiang; Lin Jingquan

    2013-01-15

    We have explored here a hollow cylindrical laser plasma multifilament waveguide with discontinuous finite thickness cladding, in which the separation between individual filaments is in the range of several millimeters and the waveguide cladding thickness is in the order of the microwave penetration depth. Such parameters give a closer representation of a realistic laser filament waveguide sustained by a long stable propagation of femtosecond (fs) laser pulses. We report how the waveguide losses depend on structural parameters like normalized plasma filament spacing, filament to filament distance or pitch, normal spatial frequency, and radius of the plasma filament. We found that for typical plasma parameters, the proposed waveguide can support guided modes of microwaves in extremely high frequency even with a cladding consisting of only one ring of plasma filaments. The loss of the microwave radiation is mainly caused by tunneling through the discontinuous finite cladding, i.e., confinement loss, and is weakly dependent on the plasma absorption. In addition, the analysis indicates that the propagation loss is fairly large compared with the loss of a plasma waveguide with a continuous infinite thickness cladding, while they are comparable when using a cladding contains more than one ring. Compared to free space propagation, this waveguide still presents a superior microwave transmission to some distance in the order of the filamentation length; thus, the laser plasma filaments waveguide may be a potential channel for transporting pulsed-modulated microwaves if ensuring a long and stable propagation of fs laser pulses.

  19. Modeling

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

    diffuse interface methods in ALE-AMR code 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 LLNL, USA This work was part of the Petascale Initiative in Computational Science at NERSC, supported by the Director, Office of Science, Advanced Scientific Computing Research, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. This work was performed

  20. 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.

  1. A method for the direct numerical simulation of hypersonic boundary-layer instability with finite-rate chemistry

    SciTech Connect (OSTI)

    Marxen, Olaf, E-mail: olaf.marxen@vki.ac.be [Center for Turbulence Research, Building 500, Stanford University, Stanford, CA 94305-3035 (United States) [Center for Turbulence Research, Building 500, Stanford University, Stanford, CA 94305-3035 (United States); Aeronautics and Aerospace Department, von Karman Institute for Fluid Dynamics, Chausse de Waterloo, 72, 1640 Rhode-St-Gense (Belgium); Magin, Thierry E. [Aeronautics and Aerospace Department, von Karman Institute for Fluid Dynamics, Chausse de Waterloo, 72, 1640 Rhode-St-Gense (Belgium)] [Aeronautics and Aerospace Department, von Karman Institute for Fluid Dynamics, Chausse de Waterloo, 72, 1640 Rhode-St-Gense (Belgium); Shaqfeh, Eric S.G.; Iaccarino, Gianluca [Center for Turbulence Research, Building 500, Stanford University, Stanford, CA 94305-3035 (United States)] [Center for Turbulence Research, Building 500, Stanford University, Stanford, CA 94305-3035 (United States)

    2013-12-15

    A new numerical method is presented here that allows to consider chemically reacting gases during the direct numerical simulation of a hypersonic fluid flow. The method comprises the direct coupling of a solver for the fluid mechanical model and a library providing the physio-chemical model. The numerical method for the fluid mechanical model integrates the compressible NavierStokes equations using an explicit time advancement scheme and high-order finite differences. This NavierStokes code can be applied to the investigation of laminar-turbulent transition and boundary-layer instability. The numerical method for the physio-chemical model provides thermodynamic and transport properties for different gases as well as chemical production rates, while here we exclusively consider a five species air mixture. The new method is verified for a number of test cases at Mach 10, including the one-dimensional high-temperature flow downstream of a normal shock, a hypersonic chemical reacting boundary layer in local thermodynamic equilibrium and a hypersonic reacting boundary layer with finite-rate chemistry. We are able to confirm that the diffusion flux plays an important role for a high-temperature boundary layer in local thermodynamic equilibrium. Moreover, we demonstrate that the flow for a case previously considered as a benchmark for the investigation of non-equilibrium chemistry can be regarded as frozen. Finally, the new method is applied to investigate the effect of finite-rate chemistry on boundary layer instability by considering the downstream evolution of a small-amplitude wave and comparing results with those obtained for a frozen gas as well as a gas in local thermodynamic equilibrium.

  2. 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...

  3. Modeling the Limits and Effects of Energy„Extraction from Tidal...

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

    process Clean Water Act 3 Coastal Ocean Model - FVCOM 3D Finite Volume Coast Ocean ... when volume flux reduces by 42% Tidal currents without turbines Tidal currents with ...

  4. Hartree-Fock-Bogoliubov solution of the pairing Hamiltonian in finite

    Office of Scientific and Technical Information (OSTI)

    nuclei (Journal Article) | SciTech Connect Hartree-Fock-Bogoliubov solution of the pairing Hamiltonian in finite nuclei Citation Details In-Document Search Title: Hartree-Fock-Bogoliubov solution of the pairing Hamiltonian in finite nuclei We present an overview of the Hartree-Fock-Bogoliubov (HFB) theory of nucleonic superfluidity for finite nuclei. After introducing basic concepts related to pairing correlations, we show how the correlated pairs are incorporated into the HFB wave function.

  5. Cryo diffraction microscopy: Ice conditions and finite supports

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

    Miao, H.; Downing, K.; Huang, X.; Kirz, J.; Marchesini, S.; Nelson, J.; Shapiro, D.; Steinbrener, J.; Stewart, A.; Jacobsen, C.

    2009-09-01

    Using a signal-to-noise ratio estimation based on correlations between multiple simulated images, we compare the dose efficiency of two soft x-ray imaging systems: incoherent brightfield imaging using zone plate optics in a transmission x-ray microscope (TXM), and x-ray diffraction microscopy (XDM) where an image is reconstructed from the far-field coherent diffraction pattern. In XDM one must computationally phase weak diffraction signals; in TXM one suffers signal losses due to the finite numerical aperture and efficiency of the optics. In simulations with objects representing isolated cells such as yeast, we find that XDM has the potential for delivering equivalent resolution imagesmore » using fewer photons. This can be an important advantage for studying radiation-sensitive biological and soft matter specimens.« less

  6. FINITE ELEMENT ANALYSIS OF BULK TRITIUM SHIPPING PACKAGE

    SciTech Connect (OSTI)

    Jordan, J.

    2010-06-02

    The Bulk Tritium Shipping Package was designed by Savannah River National Laboratory. This package will be used to transport tritium. As part of the requirements for certification, the package must be shown to meet the scenarios of the Hypothetical Accident Conditions (HAC) defined in Code of Federal Regulations Title 10 Part 71 (10CFR71). The conditions include a sequential 30-foot drop event, 30-foot dynamic crush event, and a 40-inch puncture event. Finite Element analyses were performed to support and expand upon prototype testing. Cases similar to the tests were evaluated. Additional temperatures and orientations were also examined to determine their impact on the results. The peak stress on the package was shown to be acceptable. In addition, the strain on the outer drum as well as the inner containment boundary was shown to be acceptable. In conjunction with the prototype tests, the package was shown to meet its confinement requirements.

  7. Transit light curves with finite integration time: Fisher information analysis

    SciTech Connect (OSTI)

    Price, Ellen M.; Rogers, Leslie A.

    2014-10-10

    Kepler has revolutionized the study of transiting planets with its unprecedented photometric precision on more than 150,000 target stars. Most of the transiting planet candidates detected by Kepler have been observed as long-cadence targets with 30 minute integration times, and the upcoming Transiting Exoplanet Survey Satellite will record full frame images with a similar integration time. Integrations of 30 minutes affect the transit shape, particularly for small planets and in cases of low signal to noise. Using the Fisher information matrix technique, we derive analytic approximations for the variances and covariances on the transit parameters obtained from fitting light curve photometry collected with a finite integration time. We find that binning the light curve can significantly increase the uncertainties and covariances on the inferred parameters when comparing scenarios with constant total signal to noise (constant total integration time in the absence of read noise). Uncertainties on the transit ingress/egress time increase by a factor of 34 for Earth-size planets and 3.4 for Jupiter-size planets around Sun-like stars for integration times of 30 minutes compared to instantaneously sampled light curves. Similarly, uncertainties on the mid-transit time for Earth and Jupiter-size planets increase by factors of 3.9 and 1.4. Uncertainties on the transit depth are largely unaffected by finite integration times. While correlations among the transit depth, ingress duration, and transit duration all increase in magnitude with longer integration times, the mid-transit time remains uncorrelated with the other parameters. We provide code in Python and Mathematica for predicting the variances and covariances at www.its.caltech.edu/?eprice.

  8. Finite-size effects on the radiative energy loss of a fast parton in hot

    Office of Scientific and Technical Information (OSTI)

    and dense strongly interacting matter (Journal Article) | SciTech Connect Finite-size effects on the radiative energy loss of a fast parton in hot and dense strongly interacting matter Citation Details In-Document Search Title: Finite-size effects on the radiative energy loss of a fast parton in hot and dense strongly interacting matter We consider finite-size effects on the radiative energy loss of a fast parton moving in a finite-temperature, strongly interacting medium, using the

  9. MPSalsa a finite element computer program for reacting flow problems. Part 2 - user`s guide

    SciTech Connect (OSTI)

    Salinger, A.; Devine, K.; Hennigan, G.; Moffat, H.

    1996-09-01

    This manual describes the use of MPSalsa, an unstructured finite element (FE) code for solving chemically reacting flow problems on massively parallel computers. MPSalsa has been written to enable the rigorous modeling of the complex geometry and physics found in engineering systems that exhibit coupled fluid flow, heat transfer, mass transfer, and detailed reactions. In addition, considerable effort has been made to ensure that the code makes efficient use of the computational resources of massively parallel (MP), distributed memory architectures in a way that is nearly transparent to the user. The result is the ability to simultaneously model both three-dimensional geometries and flow as well as detailed reaction chemistry in a timely manner on MT computers, an ability we believe to be unique. MPSalsa has been designed to allow the experienced researcher considerable flexibility in modeling a system. Any combination of the momentum equations, energy balance, and an arbitrary number of species mass balances can be solved. The physical and transport properties can be specified as constants, as functions, or taken from the Chemkin library and associated database. Any of the standard set of boundary conditions and source terms can be adapted by writing user functions, for which templates and examples exist.

  10. Deconfinement phase transition in a finite volume in the presence of massive particles

    SciTech Connect (OSTI)

    Ait El Djoudi, A.; Ghenam, L.

    2012-06-27

    We study the QCD deconfinement phase transition from a hadronic gas to a Quark-Gluon Plasma, in the presence of massive particles. Especially, the influence of some parameters as the finite volume, finite mass, flavors number N{sub f} on the transition point and on the order of the transition is investigated.

  11. A New Principle in Physiscs: the Principle "Finiteness", and Some Consequences

    SciTech Connect (OSTI)

    Abraham Sternlieb

    2010-06-25

    In this paper I propose a new principle in physics: the principle of "finiteness". It stems from the definition of physics as a science that deals (among other things) with measurable dimensional physical quantities. Since measurement results, including their errors, are always finite, the principle of finiteness postulates that the mathematical formulation of "legitimate" laws of physics should prevent exactly zero or infinite solutions. Some consequences of the principle of finiteness are discussed, in general, and then more specifically in the fields of special relativity, quantum mechanics, and quantum gravity. The consequences are derived independently of any other theory or principle in physics. I propose "finiteness" as a postulate (like the constancy of the speed of light in vacuum, "c"), as opposed to a notion whose validity has to be corroborated by, or derived theoretically or experimentally from other facts, theories, or principles.

  12. Finite element analysis of an extended end-plate connection using the T-stub approach

    SciTech Connect (OSTI)

    Muresan, Ioana Cristina; Balc, Roxana

    2015-03-10

    Beam-to-column end-plate bolted connections are usually used as moment-resistant connections in steel framed structures. For this joint type, the deformability is governed by the deformation capacity of the column flange and end-plate under tension and elongation of the bolts. All these elements around the beam tension flange form the tension region of the joint, which can be modeled by means of equivalent T-stubs. In this paper a beam-to-column end-plate bolted connection is substituted with a T-stub of appropriate effective length and it is analyzed using the commercially available finite element software ABAQUS. The performance of the model is validated by comparing the behavior of the T-stub from the numerical simulation with the behavior of the connection as a whole. The moment-rotation curve of the T-stub obtained from the numerical simulation is compared with the behavior of the whole extended end-plate connection, obtained by numerical simulation, experimental tests and analytical approach.

  13. ELLIPT2D: A Flexible Finite Element Code Written Python

    SciTech Connect (OSTI)

    Pletzer, A.; Mollis, J.C.

    2001-03-22

    The use of the Python scripting language for scientific applications and in particular to solve partial differential equations is explored. It is shown that Python's rich data structure and object-oriented features can be exploited to write programs that are not only significantly more concise than their counter parts written in Fortran, C or C++, but are also numerically efficient. To illustrate this, a two-dimensional finite element code (ELLIPT2D) has been written. ELLIPT2D provides a flexible and easy-to-use framework for solving a large class of second-order elliptic problems. The program allows for structured or unstructured meshes. All functions defining the elliptic operator are user supplied and so are the boundary conditions, which can be of Dirichlet, Neumann or Robbins type. ELLIPT2D makes extensive use of dictionaries (hash tables) as a way to represent sparse matrices.Other key features of the Python language that have been widely used include: operator over loading, error handling, array slicing, and the Tkinter module for building graphical use interfaces. As an example of the utility of ELLIPT2D, a nonlinear solution of the Grad-Shafranov equation is computed using a Newton iterative scheme. A second application focuses on a solution of the toroidal Laplace equation coupled to a magnetohydrodynamic stability code, a problem arising in the context of magnetic fusion research.

  14. Beam and Truss Finite Element Verification for DYNA3D

    SciTech Connect (OSTI)

    Rathbun, H J

    2007-07-16

    The explicit finite element (FE) software program DYNA3D has been developed at Lawrence Livermore National Laboratory (LLNL) to simulate the dynamic behavior of structures, systems, and components. This report focuses on verification of beam and truss element formulations in DYNA3D. An efficient protocol has been developed to verify the accuracy of these structural elements by generating a set of representative problems for which closed-form quasi-static steady-state analytical reference solutions exist. To provide as complete coverage as practically achievable, problem sets are developed for each beam and truss element formulation (and their variants) in all modes of loading and physical orientation. Analyses with loading in the elastic and elastic-plastic regimes are performed. For elastic loading, the FE results are within 1% of the reference solutions for all cases. For beam element bending and torsion loading in the plastic regime, the response is heavily dependent on the numerical integration rule chosen, with higher refinement yielding greater accuracy (agreement to within 1%). Axial loading in the plastic regime produces accurate results (agreement to within 0.01%) for all integration rules and element formulations. Truss elements are also verified to provide accurate results (within 0.01%) for elastic and elastic-plastic loading. A sample problem to verify beam element response in ParaDyn, the parallel version DYNA3D, is also presented.

  15. 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

  16. Wave propagation in laminates using the nonhomogenized dynamic method of cells: An alternative to standard finite-difference hydrodynamic approaches

    SciTech Connect (OSTI)

    Clements, B.E.; Johnson, J.N.

    1997-09-01

    The nonhomogenized dynamic method of cells (NHDMOC) uses a truncated expansion for the particle displacement field; the expansion parameter is the local cell position vector. In the NHDMOC, specifying the cell structure is similar to specifying the spatial grid used in a finite-difference hydrodynamic calculation. The expansion coefficients for the particle displacement field are determined by the equation of motion, any relevant constitutive relations, plus continuity of traction and displacement at all cell boundaries. The authors derive and numerically solve the NHDMOC equations for the first, second, and third-order expansions, appropriate for modeling a plate-impact experiment. The performance of the NHDMOC is tested, at each order, for its ability to resolve a shock-wave front as it propagates through homogeneous and laminated targets. They find for both cases that the displacement field expansion converges rapidly: given the same cell widths, the first-order theory gives only a qualitative description of the propagating stress wave; the second-order theory performs much better; and the third-order theory gives small refinements over the second-order theory. The performance of the third-order NHDMOC is then compared to that of a standard finite-difference hydrodynamic calculation. The two methods differ in that the former uses a finite-difference solution to update the time dependence of the equations, whereas the hydrodynamic calculation uses finite-difference solutions for both the temporal and spatial variables. Both theories are used to model shock-wave propagation in stainless steel arising from high-velocity planar impact. To achieve the same high-quality resolution of the stress and particle velocity profiles, the NHDMOC consistently requires less fine spatial and temporal grids, and substantially less artificial viscosity to control unphysical high-frequency oscillations in the numerical solutions. Finally, the third-order NHDMOC theory is used to calculate the particle velocity for a shock-wave experiment involving an epoxy-graphite laminate. Constitutive relations suitable for the various materials are used. This includes linear and nonlinear elasticity, and when appropriate, viscoelasticity. The results agree well with the corresponding plate-impact experiment, and are compared to the second-order theory of Clements, Johnson, and Hixson.

  17. 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...

  18. 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.

  19. Finite element analyses for seismic shear wall international standard problem

    SciTech Connect (OSTI)

    Park, Y.J.; Hofmayer, C.H.

    1998-04-01

    Two identical reinforced concrete (RC) shear walls, which consist of web, flanges and massive top and bottom slabs, were tested up to ultimate failure under earthquake motions at the Nuclear Power Engineering Corporation`s (NUPEC) Tadotsu Engineering Laboratory, Japan. NUPEC provided the dynamic test results to the OECD (Organization for Economic Cooperation and Development), Nuclear Energy Agency (NEA) for use as an International Standard Problem (ISP). The shear walls were intended to be part of a typical reactor building. One of the major objectives of the Seismic Shear Wall ISP (SSWISP) was to evaluate various seismic analysis methods for concrete structures used for design and seismic margin assessment. It also offered a unique opportunity to assess the state-of-the-art in nonlinear dynamic analysis of reinforced concrete shear wall structures under severe earthquake loadings. As a participant of the SSWISP workshops, Brookhaven National Laboratory (BNL) performed finite element analyses under the sponsorship of the U.S. Nuclear Regulatory Commission (USNRC). Three types of analysis were performed, i.e., monotonic static (push-over), cyclic static and dynamic analyses. Additional monotonic static analyses were performed by two consultants, F. Vecchio of the University of Toronto (UT) and F. Filippou of the University of California at Berkeley (UCB). The analysis results by BNL and the consultants were presented during the second workshop in Yokohama, Japan in 1996. A total of 55 analyses were presented during the workshop by 30 participants from 11 different countries. The major findings on the presented analysis methods, as well as engineering insights regarding the applicability and reliability of the FEM codes are described in detail in this report. 16 refs., 60 figs., 16 tabs.

  20. The Uranium Processing Facility Finite Element Meshing Discussion

    Office of Environmental Management (EM)

    2 - 15'-20' element size deemed adequate as the building geometry was rather straightforward. - Linear dynamic computer model October 25, 2011 8 Department of Energy -...

  1. Microscopic Calculation of 240Pu Scission with a Finite-Range Effective

    Office of Scientific and Technical Information (OSTI)

    Force (Journal Article) | SciTech Connect Journal Article: Microscopic Calculation of 240Pu Scission with a Finite-Range Effective Force Citation Details In-Document Search Title: Microscopic Calculation of 240Pu Scission with a Finite-Range Effective Force Hartree-Fock-Bogoliubov calculations of hot fission in {sup 240}Pu have been performed with a newly-implemented code that uses the D1S finite-range effective interaction. The hot-scission line is identified in the

  2. Analytic structure of the self-energy for massive gauge bosons at finite

    Office of Scientific and Technical Information (OSTI)

    temperature (Journal Article) | SciTech Connect Analytic structure of the self-energy for massive gauge bosons at finite temperature Citation Details In-Document Search Title: Analytic structure of the self-energy for massive gauge bosons at finite temperature We show that the one-loop self-energy at finite temperature has a unique limit as the external momentum [ital p][sub [mu]][r arrow]0 [ital if] the loop involves propagators with distinct masses. This naturally arises in theories

  3. Efficient multilevel finite-element approach to three-dimensional phase-change problems

    SciTech Connect (OSTI)

    Lee, R.T.; Chiou, W.Y.

    1997-01-01

    A finite-element (FE) formulation suitable for a multigrid algorithm in solving three-dimensional phase-change problems is described. This formulation is based on the averaged specific heat model. The algorithm has been proved to be very useful for large problems where the computational complexity can be reduced from O(n{sup 3}) to O(n ln n) with high storage efficiency in a personal computer. To evaluate the accuracy of the present algorithm, the numerical results for larger slender ratio are compared with previous analytical solutions. Results show that the numerical solutions at the symmetric surface of the long axis are in very good agreement with the two-dimensional exact solutions for slender ratio = 5. The magnitudes of time steps and freezing-temperature intervals are insensitive to the maximal and average absolute errors when the time step is less than 0.01 s. Consequently, a larger time step can be used to save computing time and retain the same order of accuracy. This algorithm is also available for pure metals and alloys that exhibit a very large or small (or zero) freezing-temperature interval.

  4. FEHMN 1.0: Finite element heat and mass transfer code

    SciTech Connect (OSTI)

    Zyvoloski, G.; Dash, Z.; Kelkar, S.

    1991-04-01

    A computer code is described which can simulate non-isothermal multiphase multicomponent flow in porous media. It is applicable to natural-state studies of geothermal systems and ground-water flow. The equations of heat and mass transfer for multiphase flow in porous and permeable media are solved using the finite element method. The permeability and porosity of the medium are allowed to depend on pressure and temperature. The code also has provisions for movable air and water phases and noncoupled tracers; that is, tracer solutions that do not affect the heat and mass transfer solutions. The tracers can be passive or reactive. The code can simulate two-dimensional, two-dimensional radial, or three-dimensional geometries. A summary of the equations in the model and the numerical solution procedure are provided in this report. A user`s guide and sample problems are also included. The main use of FEHMN will be to assist in the understanding of flow fields in the saturated zone below the proposed Yucca Mountain Repository. 33 refs., 27 figs., 12 tabs.

  5. Finite-size effects in a metallic multichannel ring with Kondo impurity: Persistent currents and magnetoresistance

    SciTech Connect (OSTI)

    Zvyagin, A.A.; Schlottmann, P.

    1996-12-01

    We consider a spin-1/2 impurity interacting with conduction electrons in two different orbital channels via an isotropic spin exchange. The exchange is the same for both channels, but a crystalline field breaks the symmetry between the orbital channels. This corresponds to a splitting of the conduction electron {Gamma}{sub 8} into two doublets in the quadrupolar Kondo effect, or to the electron-assisted tunneling of an atom in a double-well potential in an external magnetic field. Another possible realization could be a quantum dot coupled to two equal rings of the same length subject to an electrostatic potential difference. We consider the Bethe ansatz equations for this model and derive the tower structure of the finite-size corrections to the ground-state energy. These results are used to discuss the Aharonov-Bohm-Casher interference pattern in the persistent charge and spin currents, and the magnetoresistivity due to the scattering of electrons off the impurity. {copyright} {ital 1996 The American Physical Society.}

  6. Propulsive performance of a finite-temperature plasma flow in a magnetic nozzle with applied azimuthal current

    SciTech Connect (OSTI)

    Ferrario, Lorenzo; Little, Justin M. Choueiri, Edgar Y.

    2014-11-15

    The plasma flow in a finite-electron-temperature magnetic nozzle, under the influence of an applied azimuthal current at the throat, is modeled analytically to assess its propulsive performance. A correction to the nozzle throat boundary conditions is derived by modifying the radial equilibrium of a magnetized infinite two-population cylindrical plasma column with the insertion of an external azimuthal body force for the electrons. Inclusion of finite-temperature effects, which leads to a modification of the radial density profile, is necessary for calculating the propulsive performance, which is represented by nozzle divergence efficiency and thrust coefficient. The solutions show that the application of the azimuthal current enhances all the calculated performance parameters through the narrowing of the radial density profile at the throat, and that investing power in this beam focusing effect is more effective than using the same power to pre-heat the electrons. The results open the possibility for the design of a focusing stage between the plasma source and the nozzle that can significantly enhance the propulsive performance of electron-driven magnetic nozzles.

  7. Multichannel 0→2 and 1→2 transition amplitudes for arbitrary spin particles in a finite volume

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

    Hansen, Maxwell; Briceno, Raul

    2015-10-01

    We present a model-independent, non-perturbative relation between finite-volume matrix elements and infinite-volumemore » $$\\textbf{0}\\rightarrow\\textbf{2}$$ and $$\\textbf{1}\\rightarrow\\textbf{2}$$ transition amplitudes. Our result accommodates theories in which the final two-particle state is coupled to any number of other two-body channels, with all angular momentum states included. The derivation uses generic, fully relativistic field theory, and is exact up to exponentially suppressed corrections in the lightest particle mass times the box size. This work distinguishes itself from previous studies by accommodating particles with any intrinsic spin. To illustrate the utility of our general result, we discuss how it can be implemented for studies of $$N+\\mathcal{J}~\\rightarrow~(N\\pi,N\\eta,N\\eta',\\Sigma K,\\Lambda K)$$ transitions, where $$\\mathcal{J}$$ is a generic external current. The reduction of rotational symmetry, due to the cubic finite volume, manifests in this example through the mixing of S- and P-waves when the system has nonzero total momentum.« less

  8. Partition-of-unity finite-element method for large scale quantum...

    Office of Scientific and Technical Information (OSTI)

    real-space methods can in fact be overcome: by building known atomic physics into the solution process using modern partition-of-unity (PU) techniques in finite element analysis. ...

  9. A non-linear constrained optimization technique for the mimetic finite difference method

    SciTech Connect (OSTI)

    Manzini, Gianmarco; Svyatskiy, Daniil; Bertolazzi, Enrico; Frego, Marco

    2014-09-30

    This is a strategy for the construction of monotone schemes in the framework of the mimetic finite difference method for the approximation of diffusion problems on unstructured polygonal and polyhedral meshes.

  10. Finite-element analysis of the deformation of thin Mylar films due to

    Office of Scientific and Technical Information (OSTI)

    measurement forces. (Technical Report) | SciTech Connect Finite-element analysis of the deformation of thin Mylar films due to measurement forces. Citation Details In-Document Search Title: Finite-element analysis of the deformation of thin Mylar films due to measurement forces. Significant deformation of thin films occurs when measuring thickness by mechanical means. This source of measurement error can lead to underestimating film thickness if proper corrections are not made. Analytical

  11. Spontaneous radiation of a finite-size dipole emitter in hyperbolic media

    SciTech Connect (OSTI)

    Poddubny, Alexander N.; Belov, Pavel A.; Kivshar, Yuri S.

    2011-08-15

    We study the radiative decay and Purcell effect for a finite-size dipole emitter placed in a homogeneous uniaxial medium. We demonstrate that the radiative rate is strongly enhanced when the signs of the medium longitudinal and transverse dielectric constants are opposite, and that the isofrequency contour corresponds to a hyperbolic medium. We reveal that the Purcell enhancement factor remains finite even in the absence of losses and that it depends on the emitter size.

  12. On the Development & Performance of a First Order Stokes Finite Element Ice

    Office of Scientific and Technical Information (OSTI)

    Sheet Dycore Built Using Trilinos Software Components. (Conference) | SciTech Connect On the Development & Performance of a First Order Stokes Finite Element Ice Sheet Dycore Built Using Trilinos Software Components. Citation Details In-Document Search Title: On the Development & Performance of a First Order Stokes Finite Element Ice Sheet Dycore Built Using Trilinos Software Components. Abstract not provided. Authors: Tezaur, Irina Kalashnikova ; Salinger, Andrew G. ; Perego, Mauro

  13. Partition-of-unity finite-element method for large scale quantum molecular

    Office of Scientific and Technical Information (OSTI)

    dynamics on massively parallel computational platforms (Technical Report) | SciTech Connect Technical Report: Partition-of-unity finite-element method for large scale quantum molecular dynamics on massively parallel computational platforms Citation Details In-Document Search Title: Partition-of-unity finite-element method for large scale quantum molecular dynamics on massively parallel computational platforms Over the course of the past two decades, quantum mechanical calculations have

  14. Lowest order constrained variational calculation of polarized neutron matter at finite temperature

    SciTech Connect (OSTI)

    Bordbar, G. H.; Bigdeli, M.

    2008-11-15

    Some properties of polarized neutron matter at finite temperature have been studied using the lowest order constrained variational (LOCV) method with the Argonne V18 (AV18) potential. Our results indicate that a spontaneous transition to the ferromagnetic phase does not occur. Effective mass, free energy, magnetic susceptibility, entropy, and the equation of state of polarized neutron matter at finite temperature are also calculated. A comparison is also made between our results and those of other many-body techniques.

  15. Code verification for the eXtended Finite Element Method (XFEM): the

    Office of Scientific and Technical Information (OSTI)

    compound cohesionless impact problem. (Conference) | SciTech Connect Code verification for the eXtended Finite Element Method (XFEM): the compound cohesionless impact problem. Citation Details In-Document Search Title: Code verification for the eXtended Finite Element Method (XFEM): the compound cohesionless impact problem. Abstract not provided. Authors: Niederhaus, John Henry ; Voth, Thomas Eugene ; Mosso, Stewart John ; Kipp, Marlin E. Publication Date: 2011-06-01 OSTI Identifier: 1120302

  16. CUERVO: A finite element computer program for nonlinear scalar transport problems

    SciTech Connect (OSTI)

    Sirman, M.B.; Gartling, D.K.

    1995-11-01

    CUERVO is a finite element code that is designed for the solution of multi-dimensional field problems described by a general nonlinear, advection-diffusion equation. The code is also applicable to field problems described by diffusion, Poisson or Laplace equations. The finite element formulation and the associated numerical methods used in CUERVO are outlined here; detailed instructions for use of the code are also presented. Example problems are provided to illustrate the use of the code.

  17. The generalized finite element method applied to the dynamic response of

    Office of Scientific and Technical Information (OSTI)

    heterogeneous media. (Conference) | SciTech Connect The generalized finite element method applied to the dynamic response of heterogeneous media. Citation Details In-Document Search Title: The generalized finite element method applied to the dynamic response of heterogeneous media. Authors: Robbins, Joshua ; Voth, Thomas E. Publication Date: 2013-02-01 OSTI Identifier: 1064266 Report Number(s): SAND2013-1464C DOE Contract Number: AC04-94AL85000 Resource Type: Conference Resource Relation:

  18. 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.

  19. Finite Difference Modeling of Wave Progpagation in Acoustic TiltedTI...

    Office of Scientific and Technical Information (OSTI)

    Based on an acoustic assumption (shear wave velocity is zero) and a dispersion relation, ... DOE Contract Number: DE-AC02-05CH11231 Resource Type: Journal Article Resource Relation: ...

  20. 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.

  1. Effects of finite volume on the KL – KS mass difference

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

    Christ, N.  H.; Feng, X.; Martinelli, G.; Sachrajda, C.  T.

    2015-06-24

    Phenomena that involve two or more on-shell particles are particularly sensitive to the effects of finite volume and require special treatment when computed using lattice QCD. In this paper we generalize the results of Lüscher and Lellouch and Lüscher, which determine the leading-order effects of finite volume on the two-particle spectrum and two-particle decay amplitudes to determine the finite-volume effects in the second-order mixing of the K⁰ and K⁰⁻ states. We extend the methods of Kim, Sachrajda, and Sharpe to provide a direct, uniform treatment of these three, related, finite-volume corrections. In particular, the leading, finite-volume corrections to the KLmore » – KS mass difference ΔMK and the CP-violating parameter εK are determined, including the potentially large effects which can arise from the near degeneracy of the kaon mass and the energy of a finite-volume, two-pion state.« less

  2. Interactive pre- and post-processing tools for finite-difference time-domain codes

    SciTech Connect (OSTI)

    Cabral, B.K.; Laguna, G.W.; McLeod, R.R.; Ray, S.L.; Pennock, S.T.; Berger, R.L.; Bland, M.F.

    1989-01-12

    Practical three-dimensional electromagnetic modeling has traditionally been hampered by insufficient computing power. Recent advances in computer hardware are beginning to remove this difficulty, and one can expect that this trend will continue for the foreseeable future. To exploit this increased computer power and to solve more realistic problems, researchers have developed numerous algorithms appropriate for 3-D calculations and have built large general-purpose computer codes around them. In spite of this technical and theoretical progress, two practical difficulties remain: providing the computer code with an accurate description of a particular problem and viewing the end results of the calculation. Researchers at the Lawrence Livermore National Laboratory have been developing and using a new finite-difference, time-domain (FDTD) code over the last few years. This code, TSAR, is currently being used on a wide range of electromagnetic scattering, coupling, and propagation problems. Some of the geometries of interest are large and quite detailed, requiring meshes with more than a million cells. To efficiently deal with these large problems, we have developed a set of pre and post-processing tools to be used in conjunction with the TSAR FDTD code. This set of utilities consists of a solid-model based mesh generator, a mesh verifier, and a color/surface plotter. These tools all run on graphics workstations and, due to their highly interactive nature, are quite easy to use. For added convenience, some of the workstations are connected to a videotape system. With this arrangement, users can record complex time-varying results in a convenient and portable format. We anticipate that the poster talk associated with this paper will include a videotape demonstration of these capabilities.

  3. Modeling-Computer Simulations (Gritto & Majer) | Open Energy...

    Open Energy Info (EERE)

    are shown in Figure 1. The parameters of the fault were modeled after Coates and Schoenberg (1995), where the orientation of the fault relative to the finite-difference grid...

  4. FINITE ELEMENT CALCULATIONS OF THE MIGHTY NORTH EVENT

    SciTech Connect (OSTI)

    Steedman, D.; Swift, R.

    2000-12-01

    The MIGHTY NORTH event was a precision high explosive test performed in jointed Salem limestone for a modeling verification and validation program sponsored by DTRA. The test bed was subjected to a cylindrical shock front, making the response applicable for comparison to 2-D plane strain computations. While other investigators modeled the rock response with various elastic-plastic failure criteria, we demonstrate that simple elastic-perfectly brittle response with a tensile failure criterion replicates the experiment quite well. This paper provides comparisons between results of numerical simulations of the test event and the published test bed response.

  5. DYNA3D: A nonlinear, explicit, three-dimensional finite element code for solid and structural mechanics

    SciTech Connect (OSTI)

    Whirley, R.G.

    1991-05-01

    This report is the User Manual for the 1991 version of DYNA3D, and also serves as an interim User Guide. DYNA3D is a nonlinear, explicit, finite element code for analyzing the transient dynamic response of three-dimensional solids and structures. The code is fully vectorized and is available on several computer platforms. DYNA3D includes solid, shell, beam, and truss elements to allow maximum flexibility in modeling physical problems. Many material models are available to represent a wide range of material behavior, including elasticity, plasticity, composites, thermal effects, and rate dependence. In addition, DYNA3D has a sophisticated contact interface capability, including frictional sliding and single surface contact. Rigid materials provide added modeling flexibility. A material model driver with interactive graphics display is incorporated into DYNA3D to permit accurate modeling of complex material response based on experimental data. Along with the DYNA3D Example Problem Manual, this document provides the information necessary to apply DYNA3D to solve a wide range of engineering analysis problems. 73 refs., 49 figs.

  6. Posters The Impacts of Data Error and Model Resolution

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

    S. Yang and Q. Xu Cooperative Institute of Mesoscale Meteorological Studies University of Oklahoma Norman, Oklahoma Introduction The representativeness and accuracy of the ...

  7. Temporal evolution of surface ripples on a finite plasma slab subject to the magneto-Rayleigh-Taylor instability

    SciTech Connect (OSTI)

    Weis, Matthew Robert; Zhang, Peng; Lau, Yue Ying; Rittersdorf, Ian; Zier, Jacob; Gilgenbach, Ronald; Mark Harry Hess; Peterson, Kyle J.

    2014-12-17

    Using the ideal magnetohydrodynamic model, we calculate the temporal evolution of initial ripples on the boundaries of a planar plasma slab that is subjected to the magneto-Rayleigh-Taylor instability. The plasma slab consists of three regions. We assume that in each region the plasma density is constant with an arbitrary value and the magnetic field is also constant with an arbitrary magnitude and an arbitrary direction parallel to the interfaces. Then, the instability may be driven by a combination of magnetic pressure and kinetic pressure. Thus the general dispersion relation is derived, together with the feedthrough factor between the two interfaces. The temporal evolution is constructed from the superposition of the eigenmodes. Those previously established results are recovered in the various limits. Numerical examples are given on the temporal evolution of ripples on the interfaces of the finite plasma slab.

  8. Temporal evolution of surface ripples on a finite plasma slab subject to the magneto-Rayleigh-Taylor instability

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

    Weis, Matthew Robert; Zhang, Peng; Lau, Yue Ying; Rittersdorf, Ian; Zier, Jacob; Gilgenbach, Ronald; Mark Harry Hess; Peterson, Kyle J.

    2014-12-17

    Using the ideal magnetohydrodynamic model, we calculate the temporal evolution of initial ripples on the boundaries of a planar plasma slab that is subjected to the magneto-Rayleigh-Taylor instability. The plasma slab consists of three regions. We assume that in each region the plasma density is constant with an arbitrary value and the magnetic field is also constant with an arbitrary magnitude and an arbitrary direction parallel to the interfaces. Then, the instability may be driven by a combination of magnetic pressure and kinetic pressure. Thus the general dispersion relation is derived, together with the feedthrough factor between the two interfaces.more » The temporal evolution is constructed from the superposition of the eigenmodes. Those previously established results are recovered in the various limits. Numerical examples are given on the temporal evolution of ripples on the interfaces of the finite plasma slab.« less

  9. 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

  10. Mathematical and Numerical Analyses of Peridynamics for Multiscale Materials Modeling

    SciTech Connect (OSTI)

    Gunzburger, Max

    2015-02-17

    We have treated the modeling, analysis, numerical analysis, and algorithmic development for nonlocal models of diffusion and mechanics. Variational formulations were developed and finite element methods were developed based on those formulations for both steady state and time dependent problems. Obstacle problems and optimization problems for the nonlocal models were also treated and connections made with fractional derivative models.

  11. 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.

  12. On the use of finite difference matrix-vector products in Newton-Krylov solvers for implicit climate dynamics with spectral elements

    SciTech Connect (OSTI)

    Woodward, Carol S.; Gardner, David J.; Evans, Katherine J.

    2015-01-01

    Efficient solutions of global climate models require effectively handling disparate length and time scales. Implicit solution approaches allow time integration of the physical system with a step size governed by accuracy of the processes of interest rather than by stability of the fastest time scales present. Implicit approaches, however, require the solution of nonlinear systems within each time step. Usually, a Newton's method is applied to solve these systems. Each iteration of the Newton's method, in turn, requires the solution of a linear model of the nonlinear system. This model employs the Jacobian of the problem-defining nonlinear residual, but this Jacobian can be costly to form. If a Krylov linear solver is used for the solution of the linear system, the action of the Jacobian matrix on a given vector is required. In the case of spectral element methods, the Jacobian is not calculated but only implemented through matrix-vector products. The matrix-vector multiply can also be approximated by a finite difference approximation which may introduce inaccuracy in the overall nonlinear solver. In this paper, we review the advantages and disadvantages of finite difference approximations of these matrix-vector products for climate dynamics within the spectral element shallow water dynamical core of the Community Atmosphere Model.

  13. On the use of finite difference matrix-vector products in Newton-Krylov solvers for implicit climate dynamics with spectral elements

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

    Woodward, Carol S.; Gardner, David J.; Evans, Katherine J.

    2015-01-01

    Efficient solutions of global climate models require effectively handling disparate length and time scales. Implicit solution approaches allow time integration of the physical system with a step size governed by accuracy of the processes of interest rather than by stability of the fastest time scales present. Implicit approaches, however, require the solution of nonlinear systems within each time step. Usually, a Newton's method is applied to solve these systems. Each iteration of the Newton's method, in turn, requires the solution of a linear model of the nonlinear system. This model employs the Jacobian of the problem-defining nonlinear residual, but thismore » Jacobian can be costly to form. If a Krylov linear solver is used for the solution of the linear system, the action of the Jacobian matrix on a given vector is required. In the case of spectral element methods, the Jacobian is not calculated but only implemented through matrix-vector products. The matrix-vector multiply can also be approximated by a finite difference approximation which may introduce inaccuracy in the overall nonlinear solver. In this paper, we review the advantages and disadvantages of finite difference approximations of these matrix-vector products for climate dynamics within the spectral element shallow water dynamical core of the Community Atmosphere Model.« less

  14. On the Use of Finite Difference Matrix-Vector Products in Newton-Krylov Solvers for Implicit Climate Dynamics with Spectral Elements

    SciTech Connect (OSTI)

    Gardner, David; Woodward, Carol S.; Evans, Katherine J

    2015-01-01

    Efficient solution of global climate models requires effectively handling disparate length and time scales. Implicit solution approaches allow time integration of the physical system with a time step dictated by accuracy of the processes of interest rather than by stability governed by the fastest of the time scales present. Implicit approaches, however, require the solution of nonlinear systems within each time step. Usually, a Newton s method is applied for these systems. Each iteration of the Newton s method, in turn, requires the solution of a linear model of the nonlinear system. This model employs the Jacobian of the problem-defining nonlinear residual, but this Jacobian can be costly to form. If a Krylov linear solver is used for the solution of the linear system, the action of the Jacobian matrix on a given vector is required. In the case of spectral element methods, the Jacobian is not calculated but only implemented through matrix-vector products. The matrix-vector multiply can also be approximated by a finite-difference which may show a loss of accuracy in the overall nonlinear solver. In this paper, we review the advantages and disadvantages of finite-difference approximations of these matrix-vector products for climate dynamics within the spectral-element based shallow-water dynamical-core of the Community Atmosphere Model (CAM).

  15. 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.

  16. A Moving Window Technique in Parallel Finite Element Time Domain Electromagnetic Simulation

    SciTech Connect (OSTI)

    Lee, Lie-Quan; Candel, Arno; Ng, Cho; Ko, Kwok; ,

    2010-06-07

    A moving window technique for the finite element time domain (FETD) method is developed to simulate the propagation of electromagnetic waves induced by the transit of a charged particle beam inside large and long structures. The window moving along with the beam in the computational domain adopts high-order finite-element basis functions through p refinement and/or a high-resolution mesh through h refinement so that a sufficient accuracy is attained with substantially reduced computational costs. Algorithms to transfer discretized fields from one mesh to another, which are the key to implementing a moving window in a finite-element unstructured mesh, are presented. Numerical experiments are carried out using the moving window technique to compute short-range wakefields in long accelerator structures. The results are compared with those obtained from the normal FETD method and the advantages of using the moving window technique are discussed.

  17. Parallel performance of a preconditioned CG solver for unstructured finite element applications

    SciTech Connect (OSTI)

    Shadid, J.N.; Hutchinson, S.A.; Moffat, H.K.

    1994-06-01

    A parallel unstructured finite element (FE) implementation designed for message passing machines is described. This implementation employs automated problem partitioning algorithms for load balancing unstructured grids, a distributed sparse matrix representation of the global finite element equations and a parallel conjugate gradient (CG) solver. In this paper a number of issues related to the efficient implementation of parallel unstructured mesh applications are presented. These include the differences between structured and unstructured mesh parallel applications, major communication kernels for unstructured CG solvers, automatic mesh partitioning algorithms, and the influence of mesh. partitioning metrics on parallel performance. Initial results are presented for example finite element (FE) heat transfer analysis applications on a 1024 processor nCUBE 2 hypercube. Results indicate over 95% scaled efficiencies are obtained for some large problems despite the required unstructured data communication.

  18. Parallel performance of a preconditioned CG solver for unstructured finite element applications

    SciTech Connect (OSTI)

    Shadid, J.N.; Hutchinson, S.A.; Moffat, H.K.

    1994-12-31

    A parallel unstructured finite element (FE) implementation designed for message passing MIMD machines is described. This implementation employs automated problem partitioning algorithms for load balancing unstructured grids, a distributed sparse matrix representation of the global finite element equations and a parallel conjugate gradient (CG) solver. In this paper a number of issues related to the efficient implementation of parallel unstructured mesh applications are presented. These include the differences between structured and unstructured mesh parallel applications, major communication kernels for unstructured CG solvers, automatic mesh partitioning algorithms, and the influence of mesh partitioning metrics on parallel performance. Initial results are presented for example finite element (FE) heat transfer analysis applications on a 1024 processor nCUBE 2 hypercube. Results indicate over 95% scaled efficiencies are obtained for some large problems despite the required unstructured data communication.

  19. Viscous potential flow analysis of electrified miscible finitely conducting fluid through porous media

    SciTech Connect (OSTI)

    Obied Allah, M. H.

    2013-04-15

    In this work, a viscous potential flow analysis is used to investigate capillary surface waves between two horizontal finite fluid layers. The two layers have finite conductivities and admit mass and heat transfer. A general dispersion relation is derived. The presence of finite conductivities together with the dielectric permeabilities makes the horizontal electric field play a dual role in the stability criterion. The phenomenon of negative viscosity is observed. A new growth rate parameter, depending on the kinematical viscosity of the lower fluid layer, is found and has a stabilizing effect on the unstable modes. The growth rates and neutral stability curve are given and applied to air-water interface. The effects of various parameters are discussed for the Kelvin-Helmholtz and the Rayleigh-Taylor instabilities.

  20. Analysis of Mode III Elastodynamic Cracked Plane using the Fractal Two-Level Finite Element Method

    SciTech Connect (OSTI)

    Fan, J.; Lee, Y. Y.; Leung, A. Y. T.

    2010-05-21

    In this study, the fractal two-level finite element method, which has mainly been used for static cracked plane problems, is applied to the cracked plane problem. Using the transformation process in the proposed method, the infinite dimension of the finite element matrices that are assembled for a singular region is made finite in terms of the dynamics stress intensity factors directly, and thus the computational time can be reduced significantly. The Newmark time integration scheme is then used to obtain the dynamic stress intensity factors. The results from the proposed method are in reasonable agreement with those of classical methods. The main drawback of the time integration scheme is that numerical oscillations are induced in some cases.

  1. Finite Volume Dependence of Hadron Properties and Lattice QCD

    SciTech Connect (OSTI)

    Anthony W. Thomas; Jonathan D. Ashley; Derek B. Leinweber; Ross D. Young

    2005-02-01

    Because the time needed for a simulation in lattice QCD varies at a rate exceeding the fourth power of the lattice size, it is important to understand how small one can make a lattice without altering the physics beyond recognition. It is common to use a rule of thumb that the pion mass times the lattice size should be greater than (ideally much greater than) four (i.e., m{sub {pi}} L >> 4). By considering a relatively simple chiral quark model we are led to suggest that a more realistic constraint would be m{sub {pi}} (L - 2R) >> 4, where R is the radius of the confinement region, which for these purposes could be taken to be around 0.8-1.0 fm. Within the model we demonstrate that violating the second condition can lead to unphysical behavior of hadronic properties as a function of pion mass. In particular, the axial charge of the nucleon is found to decrease quite rapidly as the chiral limit is approached.

  2. Numerical Stochastic Homogenization Method and Multiscale Stochastic Finite Element Method - A Paradigm for Multiscale Computation of Stochastic PDEs

    SciTech Connect (OSTI)

    X. Frank Xu

    2010-03-30

    Multiscale modeling of stochastic systems, or uncertainty quantization of multiscale modeling is becoming an emerging research frontier, with rapidly growing engineering applications in nanotechnology, biotechnology, advanced materials, and geo-systems, etc. While tremendous efforts have been devoted to either stochastic methods or multiscale methods, little combined work had been done on integration of multiscale and stochastic methods, and there was no method formally available to tackle multiscale problems involving uncertainties. By developing an innovative Multiscale Stochastic Finite Element Method (MSFEM), this research has made a ground-breaking contribution to the emerging field of Multiscale Stochastic Modeling (MSM) (Fig 1). The theory of MSFEM basically decomposes a boundary value problem of random microstructure into a slow scale deterministic problem and a fast scale stochastic one. The slow scale problem corresponds to common engineering modeling practices where fine-scale microstructure is approximated by certain effective constitutive constants, which can be solved by using standard numerical solvers. The fast scale problem evaluates fluctuations of local quantities due to random microstructure, which is important for scale-coupling systems and particularly those involving failure mechanisms. The Green-function-based fast-scale solver developed in this research overcomes the curse-of-dimensionality commonly met in conventional approaches, by proposing a random field-based orthogonal expansion approach. The MSFEM formulated in this project paves the way to deliver the first computational tool/software on uncertainty quantification of multiscale systems. The applications of MSFEM on engineering problems will directly enhance our modeling capability on materials science (composite materials, nanostructures), geophysics (porous media, earthquake), biological systems (biological tissues, bones, protein folding). Continuous development of MSFEM will further contribute to the establishment of Multiscale Stochastic Modeling strategy, and thereby potentially to bring paradigm-shifting changes to simulation and modeling of complex systems cutting across multidisciplinary fields.

  3. FORMULATION AND ANALYSIS OF A PARAMETER-FREE STABILIZED FINITE ELEMENT

    Office of Scientific and Technical Information (OSTI)

    METHOD. (Journal Article) | SciTech Connect FORMULATION AND ANALYSIS OF A PARAMETER-FREE STABILIZED FINITE ELEMENT METHOD. Citation Details In-Document Search Title: FORMULATION AND ANALYSIS OF A PARAMETER-FREE STABILIZED FINITE ELEMENT METHOD. Abstract not provided. Authors: Bochev, Pavel B. ; Perego, Mauro ; Peterson, Kara J. Publication Date: 2014-03-01 OSTI Identifier: 1141394 Report Number(s): SAND2014-2582J 506568 DOE Contract Number: DE-AC04-94AL85000 Resource Type: Journal Article

  4. Monte Carlo and renormalization group local effective potentials in scalar field theories at finite temperature

    SciTech Connect (OSTI)

    Shafer, J.D.; Shepard, J.R.

    1997-04-01

    We derive an approximate renormalization group (RG) flow equation for the local effective potential of single-component {phi}{sup 4} field theory at finite temperature. Previous zero-temperature RG equations are recovered in the low- and high-temperature limits, in the latter case, via the phenomenon of dimensional reduction. We numerically solve our RG equations to obtain local effective potentials at finite temperature. These are found to be in excellent agreement with Monte Carlo results, especially when lattice artifacts are accounted for in the RG treatment. {copyright} {ital 1997} {ital The American Physical Society}

  5. DYNA3D Finite Element Analysis of Steam Explosion Loads on a Pedestal Wall Design

    SciTech Connect (OSTI)

    Noble, C R

    2007-01-18

    The objective of this brief report is to document the ESBWR pedestal wall finite element analyses that were performed as a quick turnaround effort in July 2005 at Lawrence Livermore National Laboratory and describe the assumptions and failure criteria used for these analyses [Ref 4]. The analyses described within are for the pedestal wall design that included an internal steel liner. The goal of the finite element analyses was to assist in determining the load carrying capacity of the ESBWR pedestal wall subjected to an impulsive pressure generated by a steam explosion.

  6. A Method for Connecting Dissimilar Finite Element Meshes in Three Dimensions

    SciTech Connect (OSTI)

    Dohrmann, C.R.; Heinstein, M.W.; Key, S.W.

    1998-11-12

    A method is presented for connecting dissimilar finite element meshes in three dimensions. The method combines the concept of master and slave surfaces with the uniform strain approach for surface, corrections finite elements- By modifyhg the are made to element formulations boundaries of elements on the slave such that first-order patch tests are passed. The method can be used to connect meshes which use different element types. In addition, master and slave surfaces can be designated independently of relative mesh resolutions. Example problems in three-dimensional linear elasticity are presented.

  7. Finite Volume Based Computer Program for Ground Source Heat Pump System

    SciTech Connect (OSTI)

    Menart, James A.

    2013-02-22

    This report is a compilation of the work that has been done on the grant DE-EE0002805 entitled ?Finite Volume Based Computer Program for Ground Source Heat Pump Systems.? The goal of this project was to develop a detailed computer simulation tool for GSHP (ground source heat pump) heating and cooling systems. Two such tools were developed as part of this DOE (Department of Energy) grant; the first is a two-dimensional computer program called GEO2D and the second is a three-dimensional computer program called GEO3D. Both of these simulation tools provide an extensive array of results to the user. A unique aspect of both these simulation tools is the complete temperature profile information calculated and presented. Complete temperature profiles throughout the ground, casing, tube wall, and fluid are provided as a function of time. The fluid temperatures from and to the heat pump, as a function of time, are also provided. In addition to temperature information, detailed heat rate information at several locations as a function of time is determined. Heat rates between the heat pump and the building indoor environment, between the working fluid and the heat pump, and between the working fluid and the ground are computed. The heat rates between the ground and the working fluid are calculated as a function time and position along the ground loop. The heating and cooling loads of the building being fitted with a GSHP are determined with the computer program developed by DOE called ENERGYPLUS. Lastly COP (coefficient of performance) results as a function of time are provided. Both the two-dimensional and three-dimensional computer programs developed as part of this work are based upon a detailed finite volume solution of the energy equation for the ground and ground loop. Real heat pump characteristics are entered into the program and used to model the heat pump performance. Thus these computer tools simulate the coupled performance of the ground loop and the heat pump. The price paid for the three-dimensional detail is the large computational times required with GEO3D. The computational times required for GEO2D are reasonable, a few minutes for a 20 year simulation. For a similar simulation, GEO3D takes days of computational time. Because of the small simulation times with GEO2D, a number of attractive features have been added to it. GEO2D has a user friendly interface where inputs and outputs are all handled with GUI (graphical user interface) screens. These GUI screens make the program exceptionally easy to use. To make the program even easier to use a number of standard input options for the most common GSHP situations are provided to the user. For the expert user, the option still exists to enter their own detailed information. To further help designers and GSHP customers make decisions about a GSHP heating and cooling system, cost estimates are made by the program. These cost estimates include a payback period graph to show the user where their GSHP system pays for itself. These GSHP simulation tools should be a benefit to the advancement of GSHP systems.

  8. Recovery Act: Finite Volume Based Computer Program for Ground Source Heat Pump Systems

    SciTech Connect (OSTI)

    James A Menart, Professor

    2013-02-22

    This report is a compilation of the work that has been done on the grant DE-EE0002805 entitled “Finite Volume Based Computer Program for Ground Source Heat Pump Systems.” The goal of this project was to develop a detailed computer simulation tool for GSHP (ground source heat pump) heating and cooling systems. Two such tools were developed as part of this DOE (Department of Energy) grant; the first is a two-dimensional computer program called GEO2D and the second is a three-dimensional computer program called GEO3D. Both of these simulation tools provide an extensive array of results to the user. A unique aspect of both these simulation tools is the complete temperature profile information calculated and presented. Complete temperature profiles throughout the ground, casing, tube wall, and fluid are provided as a function of time. The fluid temperatures from and to the heat pump, as a function of time, are also provided. In addition to temperature information, detailed heat rate information at several locations as a function of time is determined. Heat rates between the heat pump and the building indoor environment, between the working fluid and the heat pump, and between the working fluid and the ground are computed. The heat rates between the ground and the working fluid are calculated as a function time and position along the ground loop. The heating and cooling loads of the building being fitted with a GSHP are determined with the computer program developed by DOE called ENERGYPLUS. Lastly COP (coefficient of performance) results as a function of time are provided. Both the two-dimensional and three-dimensional computer programs developed as part of this work are based upon a detailed finite volume solution of the energy equation for the ground and ground loop. Real heat pump characteristics are entered into the program and used to model the heat pump performance. Thus these computer tools simulate the coupled performance of the ground loop and the heat pump. The price paid for the three-dimensional detail is the large computational times required with GEO3D. The computational times required for GEO2D are reasonable, a few minutes for a 20 year simulation. For a similar simulation, GEO3D takes days of computational time. Because of the small simulation times with GEO2D, a number of attractive features have been added to it. GEO2D has a user friendly interface where inputs and outputs are all handled with GUI (graphical user interface) screens. These GUI screens make the program exceptionally easy to use. To make the program even easier to use a number of standard input options for the most common GSHP situations are provided to the user. For the expert user, the option still exists to enter their own detailed information. To further help designers and GSHP customers make decisions about a GSHP heating and cooling system, cost estimates are made by the program. These cost estimates include a payback period graph to show the user where their GSHP system pays for itself. These GSHP simulation tools should be a benefit to the advancement of GSHP system

  9. Finite element analyses of tool stresses in metal cutting processes

    SciTech Connect (OSTI)

    Kistler, B.L.

    1997-01-01

    In this report, we analytically predict and examine stresses in tool tips used in high speed orthogonal machining operations. Specifically, one analysis was compared to an existing experimental measurement of stresses in a sapphire tool tip cutting 1020 steel at slow speeds. In addition, two analyses were done of a carbide tool tip in a machining process at higher cutting speeds, in order to compare to experimental results produced as part of this study. The metal being cut was simulated using a Sandia developed damage plasticity material model, which allowed the cutting to occur analytically without prespecifying the line of cutting/failure. The latter analyses incorporated temperature effects on the tool tip. Calculated tool forces and peak stresses matched experimental data to within 20%. Stress contours generally agreed between analysis and experiment. This work could be extended to investigate/predict failures in the tool tip, which would be of great interest to machining shops in understanding how to optimize cost/retooling time.

  10. 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.

  11. MP Salsa: a finite element computer program for reacting flow problems. Part 1--theoretical development

    SciTech Connect (OSTI)

    Shadid, J.N.; Moffat, H.K.; Hutchinson, S.A.; Hennigan, G.L.; Devine, K.D.; Salinger, A.G.

    1996-05-01

    The theoretical background for the finite element computer program, MPSalsa, is presented in detail. MPSalsa is designed to solve laminar, low Mach number, two- or three-dimensional incompressible and variable density reacting fluid flows on massively parallel computers, using a Petrov-Galerkin finite element formulation. The code has the capability to solve coupled fluid flow, heat transport, multicomponent species transport, and finite-rate chemical reactions, and to solver coupled multiple Poisson or advection-diffusion- reaction equations. The program employs the CHEMKIN library to provide a rigorous treatment of multicomponent ideal gas kinetics and transport. Chemical reactions occurring in the gas phase and on surfaces are treated by calls to CHEMKIN and SURFACE CHEMKIN, respectively. The code employs unstructured meshes, using the EXODUS II finite element data base suite of programs for its input and output files. MPSalsa solves both transient and steady flows by using fully implicit time integration, an inexact Newton method and iterative solvers based on preconditioned Krylov methods as implemented in the Aztec solver library.

  12. Density dependence of the symmetry energy from neutron skin thickness in finite nuclei

    SciTech Connect (OSTI)

    Vinas, X.; Centelles, M.; Roca-Maza, X.; Warda, M.

    2012-10-20

    The density dependence of the symmetry energy, characterized by the parameter L, is studied using information provided by the neutron skin thickness in finite nuclei. An estimate of L is obtained from experimental data of antiprotonic atoms. We also discuss the ability of parity violating electron scatering to obtain information about the neutron skin thickness in {sup 208}Pb.

  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. 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.

  15. 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.

  16. 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.

  17. 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.

  18. Improving Battery Design with Electro-Thermal Modeling

    SciTech Connect (OSTI)

    Pesaran, A.; Vlahinos, A.; Bharathan, D.; Kim, G.-H.; Duong, T.

    2005-08-01

    Temperature greatly affects the performance and life of batteries in electric and hybrid vehicles under real driving conditions, so increased attention is being paid to battery thermal management. Sophisticated electrochemical models and finite element analysis tools are available for predicting the thermal performance of batteries, but each has limitations. In this study we describe an electro-thermal finite element approach that predicts the thermal performance of a cell or module with realistic geometry, material properties, loads, and boundary conditions.

  19. Electro-Thermal Modeling to Improve Battery Design: Preprint

    SciTech Connect (OSTI)

    Bharathan, D.; Pesaran, A.; Kim, G.; Vlahinos, A.

    2005-09-01

    Operating temperature greatly affects the performance and life of batteries in electric and hybrid electric vehicles (HEVs). Increased attention is necessary to battery thermal management. Electrochemical models and finite element analysis tools are available for predicting the thermal performance of batteries, but each has limitations. This study describes an electro-thermal finite element approach that predicts the thermal performance of a battery cell or module with realistic geometry.

  20. A finite elements method to solve the Bloch–Torrey equation applied to diffusion magnetic resonance imaging

    SciTech Connect (OSTI)

    Nguyen, Dang Van; Li, Jing-Rebecca; Grebenkov, Denis; Le Bihan, Denis

    2014-04-15

    The complex transverse water proton magnetization subject to diffusion-encoding magnetic field gradient pulses in a heterogeneous medium can be modeled by the multiple compartment Bloch–Torrey partial differential equation (PDE). In addition, steady-state Laplace PDEs can be formulated to produce the homogenized diffusion tensor that describes the diffusion characteristics of the medium in the long time limit. In spatial domains that model biological tissues at the cellular level, these two types of PDEs have to be completed with permeability conditions on the cellular interfaces. To solve these PDEs, we implemented a finite elements method that allows jumps in the solution at the cell interfaces by using double nodes. Using a transformation of the Bloch–Torrey PDE we reduced oscillations in the searched-for solution and simplified the implementation of the boundary conditions. The spatial discretization was then coupled to the adaptive explicit Runge–Kutta–Chebyshev time-stepping method. Our proposed method is second order accurate in space and second order accurate in time. We implemented this method on the FEniCS C++ platform and show time and spatial convergence results. Finally, this method is applied to study some relevant questions in diffusion MRI.

  1. Finite element approximation of the radiative transport equation in a medium with piece-wise constant refractive index

    SciTech Connect (OSTI)

    Lehtikangas, O.; Tarvainen, T.; Kim, A.D.; Arridge, S.R.

    2015-02-01

    The radiative transport equation can be used as a light transport model in a medium with scattering particles, such as biological tissues. In the radiative transport equation, the refractive index is assumed to be constant within the medium. However, in biomedical media, changes in the refractive index can occur between different tissue types. In this work, light propagation in a medium with piece-wise constant refractive index is considered. Light propagation in each sub-domain with a constant refractive index is modeled using the radiative transport equation and the equations are coupled using boundary conditions describing Fresnel reflection and refraction phenomena on the interfaces between the sub-domains. The resulting coupled system of radiative transport equations is numerically solved using a finite element method. The approach is tested with simulations. The results show that this coupled system describes light propagation accurately through comparison with the Monte Carlo method. It is also shown that neglecting the internal changes of the refractive index can lead to erroneous boundary measurements of scattered light.

  2. 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.

  3. Two-particle multichannel systems in a finite volume with arbitrary spin

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

    Briceno, Raul A.

    2014-04-08

    The quantization condition for two-particle systems with arbitrary number of two-body open coupled channels, spin and masses in a finite cubic volume with either periodic or twisted boundary conditions is presented. The condition presented is in agreement with all previous studies of two-body systems in a finite volume. The result is relativistic, holds for all momenta below the three- and four-particle thresholds, and is exact up to exponential volume corrections that are governed by L/r, where L is the spatial extent of the volume and r is the range of the interactions between the particles. With hadronic systems the rangemore » of the interaction is set by the inverse of the pion mass, mπ, and as a result the formalism presented is suitable for mπL>>1. Implications of the formalism for the studies of multichannel baryon-baryon systems are discussed.« less

  4. Gen Purpose 1-D Finite Element Network Fluid Flow Heat Transfer System Simulator

    Energy Science and Technology Software Center (OSTI)

    1993-08-02

    SAFSIM (System Analysis Flow Simulator) is a FORTRAN computer program to simulate the integrated performance of systems involving fluid mechanics, heat transfer, and reactor dynamics. SAFSIM provides sufficient versatility to allow the engineering simulation of almost any system, from a backyard sprinkler system to a clustered nuclear reactor propulsion system. In addition to versatility, speed and robustness are primary SAFSIM development goals. SAFSIM contains three basic physics modules: (1) a one-dimensional finite element fluid mechanicsmore » module with multiple flow network capability; (2) a one-dimensional finite element structure heat transfer module with multiple convection and radiation exchange capability; and (3) a point reactor dynamics module with reactivity feedback and decay heat capability. SAFSIM can be used for compressible and incompressible, single-phase, multicomponent flow systems.« less

  5. Finite element strategies for the efficient analysis and evaluation of solar collector structures

    SciTech Connect (OSTI)

    Koteras, J. R.

    1980-01-01

    Concentrating or reflecting structures for solar energy systems must be evaluated as to their structural integrity and optical performance. Computer studies can be used as an integral part of these evaluations. The computer studies make use of finite element structural codes coupled with post-processors that calculate optical data. If the analysis of a solar structure is to be carried out in an efficient manner, these computer codes must have certain capabilities. A number of solar energy projects at Sandia National Laboratories have made extensive use of finite element analyses. The analyses have been useful in evaluating design concepts which hold promise for large scale use in solar energy projects. Analysis procedures have been developed for some structures so that evaluations can be carried out in a straightforward manner.

  6. Phase-field modeling of the beta to omega phase transformation...

    Office of Scientific and Technical Information (OSTI)

    This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and ... is developed, using the Finite Element Method (FEM), for modeling the athermal beta to ...

  7. Higher-Order, Space-Time Adaptive Finite Volume Methods: Algorithms, Analysis and Applications

    SciTech Connect (OSTI)

    Minion, Michael

    2014-04-29

    The four main goals outlined in the proposal for this project were: 1. Investigate the use of higher-order (in space and time) finite-volume methods for fluid flow problems. 2. Explore the embedding of iterative temporal methods within traditional block-structured AMR algorithms. 3. Develop parallel in time methods for ODEs and PDEs. 4. Work collaboratively with the Center for Computational Sciences and Engineering (CCSE) at Lawrence Berkeley National Lab towards incorporating new algorithms within existing DOE application codes.

  8. 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.

  9. Modeling thermal/chemical/mechanical response of energetic materials

    SciTech Connect (OSTI)

    Baer, M.R.; Hobbs, M.L.; Gross, R.J.

    1995-07-01

    An overview of modeling at Sandia National Laboratories is presented which describes coupled thermal, chemical and mechanical response of energetic materials. This modeling addresses cookoff scenarios for safety assessment studies in systems containing energetic materials. Foundation work is discussed which establishes a method for incorporating chemistry and mechanics into multidimensional analysis. Finite element analysis offers the capabilities to simultaneously resolve reactive heat transfer and structural mechanics in complex geometries. Nonlinear conduction heat transfer, with multiple step finite-rate chemistry, is resolved using a thermal finite element code. Rate equations are solved element-by-element using a modified matrix-free stiff solver This finite element software was developed for the simulation of systems requiring large numbers of finite elements. An iterative implicit scheme, based on the conjugate gradient method, is used and a hemi-cube algorithm is employed for the determination of view factors in surface-to-surface radiation transfer The critical link between the reactive heat transfer and mechanics is the introduction of an appropriate constitutive material model providing a stress-strain relationship for quasi-static mechanics analysis. This model is formally derived from bubble nucleation theory, and parameter variations of critical model parameters indicate that a small degree of decomposition leads to significant mechanical response. Coupled thermal/chemical/mechanical analysis is presented which simulates experiments designed to probe cookoff thermal-mechanical response of energetic materials.

  10. SEISMIC MODELING ENGINES PHASE 1 FINAL REPORT

    SciTech Connect (OSTI)

    BRUCE P. MARION

    2006-02-09

    Seismic modeling is a core component of petroleum exploration and production today. Potential applications include modeling the influence of dip on anisotropic migration; source/receiver placement in deviated-well three-dimensional surveys for vertical seismic profiling (VSP); and the generation of realistic data sets for testing contractor-supplied migration algorithms or for interpreting AVO (amplitude variation with offset) responses. This project was designed to extend the use of a finite-difference modeling package, developed at Lawrence Berkeley Laboratories, to the advanced applications needed by industry. The approach included a realistic, easy-to-use 2-D modeling package for the desktop of the practicing geophysicist. The feasibility of providing a wide-ranging set of seismic modeling engines was fully demonstrated in Phase I. The technical focus was on adding variable gridding in both the horizontal and vertical directions, incorporating attenuation, improving absorbing boundary conditions and adding the optional coefficient finite difference methods.

  11. 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

  12. Two finite element techniques for computing mode I stress intensity factors in two- or three-dimensional problems

    SciTech Connect (OSTI)

    Iskander, S.K.

    1981-02-01

    Two finite element (FE) approaches were used to calculate opening mode I stress intensity factors (K/sub I/) in two- or three-dimensional (2-D and 3-D) problems for the Heavy-Section Steel Technology (HSST) program. For problems that can be modeled in two dimensions, two techniques were used. One of these may be termed an ''energy release rate'' technique, and the other is based on the classical near-tip displacement and stress field equations. For three-dimensional problems, only the latter technique was used. In the energy release technique, K/sub I/ is calculated as the change in potential energy of the structure due to a small change in crack length. The potential energy is calculated by the FE method but without completely solving the system of linear equations for the displacements. Furthermore, the system of linear equations is only slightly perturbed by the change in crack length and, therefore, many computations need not be repeated for the second structure with the slight change in crack length. Implementation of these last two items has resulted in considerable savings in the calculation of K/sub I/ as compared to two complete FE analyses. These ideas are incorporated in the FMECH code. The accuracy of the methods has been checked by comparing the results of the two approaches with each other and with closed form solutions. It is estimated that the accuracy of the results is about +-5%.

  13. Bell-Plesset effects in Rayleigh-Taylor instability of finite-thickness spherical and cylindrical shells

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

    Velikovich, A. L.; Schmit, P. F.

    2015-12-28

    Bell-Plesset (BP) effects account for the influence of global convergence or divergence of the fluid flow on the evolution of the interfacial perturbations embedded in the flow. The development of the Rayleigh-Taylor instability in radiation-driven spherical capsules and magnetically-driven cylindrical liners necessarily includes a significant contribution from BP effects due to the time dependence of the radius, velocity, and acceleration of the unstable surfaces or interfaces. An analytical model is presented that, for an ideal incompressible fluid and small perturbation amplitudes, exactly evaluates the BP effects in finite-thickness shells through acceleration and deceleration phases. The time-dependent dispersion equations determining themore » “instantaneous growth rate” are derived. It is demonstrated that by integrating this approximate growth rate over time, one can accurately evaluate the number of perturbation e-foldings during the inward acceleration phase of the implosion. As a result, in the limit of small shell thickness, exact thin-shell perturbationequations and approximate thin-shell dispersion equations are obtained, generalizing the earlier results [E. G. Harris, Phys. Fluids 5, 1057 (1962); E. Ott, Phys. Rev. Lett. 29, 1429 (1972); A. B. Bud'ko et al., Phys. Fluids B 2, 1159 (1990)].« less

  14. Characterization of the Fracture Toughness of TRIP 800 Sheet Steels Using Microstructure-Based Finite Element Analysis

    SciTech Connect (OSTI)

    Soulami, Ayoub; Choi, Kyoo Sil; Liu, Wenning N.; Sun, Xin; Khaleel, Mohammad A.

    2009-04-01

    Recently, several studies conducted by automotive industry revealed the tremendous advantages of Advanced High Strength Steels (AHSS). TRansformation Induced Plasticity (TRIP) steel is one of the typical representative of AHSS. This kind of materials exhibits high strength as well as high formability. Analyzing the crack behaviour in TRIP steels is a challenging task due to the microstructure level inhomogeneities between the different phases (Ferrite, Bainite, Austenite, Martensite) that constitute these materials. This paper aims at investigating the fracture resistance of TRIP steels. For this purpose, a micromechanical finite element model is developed based on the actual microstructure of a TRIP 800 steel. Uniaxial tensile tests on TRIP 800 sheet notched specimens were also conducted and tensile properties and R-curves (Resistance curves) were determined. The comparison between simulation and experimental results leads us to the conclusion that the method using microstructure-based representative volume element (RVE) captures well enough the complex behavior of TRIP steels. The effect of phase transformation, which occurs during the deformation process, on the toughness is observed and discussed.

  15. Bell-Plesset effects in Rayleigh-Taylor instability of finite-thickness spherical and cylindrical shells

    SciTech Connect (OSTI)

    Velikovich, A. L.; Schmit, P. F.

    2015-12-28

    Bell-Plesset (BP) effects account for the influence of global convergence or divergence of the fluid flow on the evolution of the interfacial perturbations embedded in the flow. The development of the Rayleigh-Taylor instability in radiation-driven spherical capsules and magnetically-driven cylindrical liners necessarily includes a significant contribution from BP effects due to the time dependence of the radius, velocity, and acceleration of the unstable surfaces or interfaces. An analytical model is presented that, for an ideal incompressible fluid and small perturbation amplitudes, exactly evaluates the BP effects in finite-thickness shells through acceleration and deceleration phases. The time-dependent dispersion equations determining the “instantaneous growth rate” are derived. It is demonstrated that by integrating this approximate growth rate over time, one can accurately evaluate the number of perturbation e-foldings during the inward acceleration phase of the implosion. As a result, in the limit of small shell thickness, exact thin-shell perturbationequations and approximate thin-shell dispersion equations are obtained, generalizing the earlier results [E. G. Harris, Phys. Fluids 5, 1057 (1962); E. Ott, Phys. Rev. Lett. 29, 1429 (1972); A. B. Bud'ko et al., Phys. Fluids B 2, 1159 (1990)].

  16. Mesoscale hybrid calibration artifact (Patent) | DOEPatents

    Office of Scientific and Technical Information (OSTI)

    OSTI Identifier: 1014662 Assignee: Sandia Corporation (Albuquerque, NM) NNSASC Patent ...866,177 Contract Number: AC04-94AL85000 Research Org: Sandia Corporation (Albuquerque, NM

  17. 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:...

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

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

    vision grid artifacts have accuracy on the order of 1 micrometer. State-of-the-art grid artifacts are made by patterning chrome on glass. The thin layer of chrome...

  19. Wakefield Simulation of CLIC PETS Structure Using Parallel 3D Finite Element Time-Domain Solver T3P

    SciTech Connect (OSTI)

    Candel, A.; Kabel, A.; Lee, L.; Li, Z.; Ng, C.; Schussman, G.; Ko, K.; Syratchev, I.; /CERN

    2009-06-19

    In recent years, SLAC's Advanced Computations Department (ACD) has developed the parallel 3D Finite Element electromagnetic time-domain code T3P. Higher-order Finite Element methods on conformal unstructured meshes and massively parallel processing allow unprecedented simulation accuracy for wakefield computations and simulations of transient effects in realistic accelerator structures. Applications include simulation of wakefield damping in the Compact Linear Collider (CLIC) power extraction and transfer structure (PETS).

  20. 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 grain boundaries for given grain boundary properties. More validation of the model capability in polycrystalline is underway.

  1. Fracture Capabilities in Grizzly with the extended Finite Element Method (X-FEM)

    SciTech Connect (OSTI)

    Dolbow, John; Zhang, Ziyu; Spencer, Benjamin; Jiang, Wen

    2015-09-01

    Efforts are underway to develop fracture mechanics capabilities in the Grizzly code to enable it to be used to perform deterministic fracture assessments of degraded reactor pressure vessels (RPVs). A capability was previously developed to calculate three-dimensional interaction- integrals to extract mixed-mode stress-intensity factors. This capability requires the use of a finite element mesh that conforms to the crack geometry. The eXtended Finite Element Method (X-FEM) provides a means to represent a crack geometry without explicitly fitting the finite element mesh to it. This is effected by enhancing the element kinematics to represent jump discontinuities at arbitrary locations inside of the element, as well as the incorporation of asymptotic near-tip fields to better capture crack singularities. In this work, use of only the discontinuous enrichment functions was examined to see how accurate stress intensity factors could still be calculated. This report documents the following work to enhance Grizzly’s engineering fracture capa- bilities by introducing arbitrary jump discontinuities for prescribed crack geometries; X-FEM Mesh Cutting in 3D: to enhance the kinematics of elements that are intersected by arbitrary crack geometries, a mesh cutting algorithm was implemented in Grizzly. The algorithm introduces new virtual nodes and creates partial elements, and then creates a new mesh connectivity; Interaction Integral Modifications: the existing code for evaluating the interaction integral in Grizzly was based on the assumption of a mesh that was fitted to the crack geometry. Modifications were made to allow for the possibility of a crack front that passes arbitrarily through the mesh; and Benchmarking for 3D Fracture: the new capabilities were benchmarked against mixed- mode three-dimensional fracture problems with known analytical solutions.

  2. Influence of finite radial geometry on the growth rate of ion-channel free electron laser

    SciTech Connect (OSTI)

    Bahmani, Mohammad; Hamzehpour, Hossein; Hasanbeigi, Ali

    2013-11-15

    The influence of finite radial geometry on the instability of a tenuous relativistic electron beam propagating in an ion-channel in a waveguide is investigated. The instability analysis is based on the linearized Vlasov-Maxwell equations for the perturbation about a self-consistent beam equilibrium. With the help of characteristic method the dispersion relation for the TE-mode is derived and analyzed through the numerical solutions. It is found that the positioning of the beam radius R{sub b} relative to the waveguide radius R{sub c}, and the ion-channel frequency can have a large influence on the maximum growth rate and corresponding wave number.

  3. Pygmy and Giant Dipole Response Function in Neutron Rich Nuclei at Finite Temperature

    SciTech Connect (OSTI)

    Sahin, Ersin; Bozkurt, Kutsal; Sirin, Mehmet

    2010-01-21

    We investigate pygmy and giant dipole resonance (PDR-GDR) for the case of neutron rich soft nuclei {sup 68}Ni and heavy nuclei {sup 208}Pb using effective nucleon-nucleon Skyrme interactions SLy7 and KDEO at finite temperature. We use the mean-field theory (HF) and employ the random phase approximation (RPA) in a coordinate space. We then compare the PDR calculations for the different Skyrme interactions with their experimental results. We find that the PDR and GDR strength distribution depends sensitively on temperature, and especially for {sup 68}Ni the collective effects almost disappear at T = 4 MeV.

  4. Permeability computation on a REV with an immersed finite element method

    SciTech Connect (OSTI)

    Laure, P. [Laboratoire J.-A. Dieudonne, CNRS UMR 6621, Universite de Nice-Sophia Antipolis, Parc Valrose, 06108 Nice, Cedex 02 (France); Puaux, G.; Silva, L.; Vincent, M. [MINES ParisTech, CEMEF-Centre de Mise en Forme des Materiaux, CNRS UMR 7635, BP 207 1 rue Claude, Daunesse 06904 Sophia Antipolis cedex (France)

    2011-05-04

    An efficient method to compute permeability of fibrous media is presented. An immersed domain approach is used to represent the porous material at its microscopic scale and the flow motion is computed with a stabilized mixed finite element method. Therefore the Stokes equation is solved on the whole domain (including solid part) using a penalty method. The accuracy is controlled by refining the mesh around the solid-fluid interface defined by a level set function. Using homogenisation techniques, the permeability of a representative elementary volume (REV) is computed. The computed permeabilities of regular fibre packings are compared to classical analytical relations found in the bibliography.

  5. High-order finite-volume methods for hyperbolic conservation laws on mapped multiblock grids

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

    McCorquodale, P. W.; Colella, P.; Dorr, M. R.; Hittinger, J. A. F.

    2015-01-13

    We present an approach to solving hyperbolic conservation laws by finite-volume methods on mapped multiblock grids, extending the approach of Colella, Dorr, Hittinger, and Martin (2011) [10] for grids with a single mapping. We consider mapped multiblock domains for mappings that are conforming at inter-block boundaries. By using a smooth continuation of the mapping into ghost cells surrounding a block, we reduce the inter-block communication problem to finding an accurate, robust interpolation into these ghost cells from neighboring blocks. Lastly, we demonstrate fourth-order accuracy for the advection equation for multiblock coordinate systems in two and three dimensions.

  6. Efficient large-scale finite-element computations in a CRAY environment

    SciTech Connect (OSTI)

    Goudreau, G.L.; Bailey, R.A.; Hallquist, J.O.; Murray, R.C.; Sackett, S.J.

    1983-06-01

    The Lawrence Livermore National Laboratory engineering computational experience on the CRAY-1 is highlighted in the context of our large general purpose solid and structural mechanics codes. DYNA2D and DYNA3D are explicit large deformation inelastic Lagrangian codes with one point elements and hourglass control. NIKE2D and NIKE3D are implicit codes of comparable continuum formulation but use two point constant pressure elements and an optimized linear equation solver. NIKE3D has a finite rotation plastic resultant shell element. The new general purpose linear elastic structures code GEMINI is also illustrated for large static and eigenvalue analysis. 19 references.

  7. Finite-dimensional approximations of the resolvent of an infinite band matrix and continued fractions

    SciTech Connect (OSTI)

    Barrios, Dolores; Lopez, Guillermo L; Martinez-Finkelshtein, A; Torrano, Emilio

    1999-04-30

    The approximability of the resolvent of an operator induced by a band matrix by the resolvents of its finite-dimensional sections is studied. For bounded perturbations of self-adjoint matrices a positive result is obtained. The convergence domain of the sequence of resolvents can be described in this case in terms of matrices involved in the representation. This result is applied to tridiagonal complex matrices to establish conditions for the convergence of Chebyshev continued fractions on sets in the complex domain. In the particular case of compact perturbations this result is improved and a connection between the poles of the limit function and the eigenvalues of the tridiagonal matrix is established.

  8. Method and apparatus for connecting finite element meshes and performing simulations therewith

    DOE Patents [OSTI]

    Dohrmann, Clark R.; Key, Samuel W.; Heinstein, Martin W.

    2003-05-06

    The present invention provides a method of connecting dissimilar finite element meshes. A first mesh, designated the master mesh, and a second mesh, designated the slave mesh, each have interface surfaces proximal the other. Each interface surface has a corresponding interface mesh comprising a plurality of interface nodes. Each slave interface node is assigned new coordinates locating the interface node on the interface surface of the master mesh. The slave interface surface is further redefined to be the projection of the slave interface mesh onto the master interface surface.

  9. DYNA3D: A nonlinear, explicit, three-dimensional finite element code for solid and structural mechanics, User manual. Revision 1

    SciTech Connect (OSTI)

    Whirley, R.G.; Engelmann, B.E.

    1993-11-01

    This report is the User Manual for the 1993 version of DYNA3D, and also serves as a User Guide. DYNA3D is a nonlinear, explicit, finite element code for analyzing the transient dynamic response of three-dimensional solids and structures. The code is fully vectorized and is available on several computer platforms. DYNA3D includes solid, shell, beam, and truss elements to allow maximum flexibility in modeling physical problems. Many material models are available to represent a wide range of material behavior, including elasticity, plasticity, composites, thermal effects, and rate dependence. In addition, DYNA3D has a sophisticated contact interface capability, including frictional sliding and single surface contact. Rigid materials provide added modeling flexibility. A material model driver with interactive graphics display is incorporated into DYNA3D to permit accurate modeling of complex material response based on experimental data. Along with the DYNA3D Example Problem Manual, this document provides the information necessary to apply DYNA3D to solve a wide range of engineering analysis problems.

  10. High order finite difference methods with subcell resolution for advection equations with stiff source terms

    SciTech Connect (OSTI)

    Wang, Wei; Shu, Chi-Wang; Yee, H.C.; Sjgreen, Bjrn

    2012-01-01

    A new high order finite-difference method utilizing the idea of Harten ENO subcell resolution method is proposed for chemical reactive flows and combustion. In reaction problems, when the reaction time scale is very small, e.g., orders of magnitude smaller than the fluid dynamics time scales, the governing equations will become very stiff. Wrong propagation speed of discontinuity may occur due to the underresolved numerical solution in both space and time. The present proposed method is a modified fractional step method which solves the convection step and reaction step separately. In the convection step, any high order shock-capturing method can be used. In the reaction step, an ODE solver is applied but with the computed flow variables in the shock region modified by the Harten subcell resolution idea. For numerical experiments, a fifth-order finite-difference WENO scheme and its anti-diffusion WENO variant are considered. A wide range of 1D and 2D scalar and Euler system test cases are investigated. Studies indicate that for the considered test cases, the new method maintains high order accuracy in space for smooth flows, and for stiff source terms with discontinuities, it can capture the correct propagation speed of discontinuities in very coarse meshes with reasonable CFL numbers.

  11. Solution to PDEs using radial basis function finite-differences (RBF-FD) on multiple GPUs

    SciTech Connect (OSTI)

    Bollig, Evan F.; Flyer, Natasha; Erlebacher, Gordon

    2012-08-30

    This paper presents parallelization strategies for the radial basis function-finite difference (RBF-FD) method. As a generalized finite differencing scheme, the RBF-FD method functions without the need for underlying meshes to structure nodes. It offers high-order accuracy approximation and scales as O(N) per time step, with N being with the total number of nodes. To our knowledge, this is the first implementation of the RBF-FD method to leverage GPU accelerators for the solution of PDEs. Additionally, this implementation is the first to span both multiple CPUs and multiple GPUs. OpenCL kernels target the GPUs and inter-processor communication and synchronization is managed by the Message Passing Interface (MPI). We verify our implementation of the RBF-FD method with two hyperbolic PDEs on the sphere, and demonstrate up to 9x speedup on a commodity GPU with unoptimized kernel implementations. On a high performance cluster, the method achieves up to 7x speedup for the maximum problem size of 27,556 nodes.

  12. Finite-element analysis of earing using non-quadratic yield surfaces

    SciTech Connect (OSTI)

    Logan, R.W.

    1995-06-18

    During deep draw cupping, the phenomenon known as earing may occur as the cup wall is formed, resulting in a periodic variation of cup wall height around the perimeter of the finished cup. This is generally due to planar anisotropy of flow in rolled sheet product. It is generally observed that the anisotropy parameter R will vary in the plane of the sheet when ears are observed in cupping, with a parameter {Delta}R describing the variation of R in the plane of the sheet. For many common textures in face-centered and body-centered materials, the ears form relative to the sheet rolling direction at 0{degrees} and 90{degrees} around the perimeter if {Delta}R>0, and at -45{degrees} and +45{degrees} if {Delta}R<0. There is extensive experimental evidence that ear height shows a linear correlation with {Delta}R/R, but attempts to duplicate this using the finite-element method are highly dependent on both the methodology and yield surface used. It was shown previously that using a coarse mesh and the quadratic Hill yield surface tends to greatly under predict earing. In this study, we have used two different finite-element codes developed at LLNL to examine the predicted earing using both quadratic Hill and alternative non-quadratic yield surfaces. These results are compared to experimental data and conclusions drawn about the most desirable closed-form yield surfaces to duplicate the observed earing phenomena.

  13. A meshless method for modeling convective heat transfer

    SciTech Connect (OSTI)

    Carrington, David B

    2010-01-01

    A meshless method is used in a projection-based approach to solve the primitive equations for fluid flow with heat transfer. The method is easy to implement in a MATLAB format. Radial basis functions are used to solve two benchmark test cases: natural convection in a square enclosure and flow with forced convection over a backward facing step. The results are compared with two popular and widely used commercial codes: COMSOL, a finite element model, and FLUENT, a finite volume-based model.

  14. Evaluation of Geometrically Nonlinear Reduced Order Models with Nonlinear Normal Modes

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

    Kuether, Robert J.; Deaner, Brandon J.; Hollkamp, Joseph J.; Allen, Matthew S.

    2015-09-15

    Several reduced-order modeling strategies have been developed to create low-order models of geometrically nonlinear structures from detailed finite element models, allowing one to compute the dynamic response of the structure at a dramatically reduced cost. But, the parameters of these reduced-order models are estimated by applying a series of static loads to the finite element model, and the quality of the reduced-order model can be highly sensitive to the amplitudes of the static load cases used and to the type/number of modes used in the basis. Our paper proposes to combine reduced-order modeling and numerical continuation to estimate the nonlinearmore » normal modes of geometrically nonlinear finite element models. Not only does this make it possible to compute the nonlinear normal modes far more quickly than existing approaches, but the nonlinear normal modes are also shown to be an excellent metric by which the quality of the reduced-order model can be assessed. Hence, the second contribution of this work is to demonstrate how nonlinear normal modes can be used as a metric by which nonlinear reduced-order models can be compared. Moreover, various reduced-order models with hardening nonlinearities are compared for two different structures to demonstrate these concepts: a clamped–clamped beam model, and a more complicated finite element model of an exhaust panel cover.« less

  15. Evaluation of Geometrically Nonlinear Reduced Order Models with Nonlinear Normal Modes

    SciTech Connect (OSTI)

    Kuether, Robert J.; Deaner, Brandon J.; Hollkamp, Joseph J.; Allen, Matthew S.

    2015-09-15

    Several reduced-order modeling strategies have been developed to create low-order models of geometrically nonlinear structures from detailed finite element models, allowing one to compute the dynamic response of the structure at a dramatically reduced cost. But, the parameters of these reduced-order models are estimated by applying a series of static loads to the finite element model, and the quality of the reduced-order model can be highly sensitive to the amplitudes of the static load cases used and to the type/number of modes used in the basis. Our paper proposes to combine reduced-order modeling and numerical continuation to estimate the nonlinear normal modes of geometrically nonlinear finite element models. Not only does this make it possible to compute the nonlinear normal modes far more quickly than existing approaches, but the nonlinear normal modes are also shown to be an excellent metric by which the quality of the reduced-order model can be assessed. Hence, the second contribution of this work is to demonstrate how nonlinear normal modes can be used as a metric by which nonlinear reduced-order models can be compared. Moreover, various reduced-order models with hardening nonlinearities are compared for two different structures to demonstrate these concepts: a clamped–clamped beam model, and a more complicated finite element model of an exhaust panel cover.

  16. A high-order vertex-based central ENO finite-volume scheme for three-dimensional compressible flows

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

    Charest, Marc R.J.; Canfield, Thomas R.; Morgan, Nathaniel R.; Waltz, Jacob; Wohlbier, John G.

    2015-03-11

    High-order discretization methods offer the potential to reduce the computational cost associated with modeling compressible flows. However, it is difficult to obtain accurate high-order discretizations of conservation laws that do not produce spurious oscillations near discontinuities, especially on multi-dimensional unstructured meshes. A novel, high-order, central essentially non-oscillatory (CENO) finite-volume method that does not have these difficulties is proposed for tetrahedral meshes. The proposed unstructured method is vertex-based, which differs from existing cell-based CENO formulations, and uses a hybrid reconstruction procedure that switches between two different solution representations. It applies a high-order k-exact reconstruction in smooth regions and a limited linearmore » reconstruction when discontinuities are encountered. Both reconstructions use a single, central stencil for all variables, making the application of CENO to arbitrary unstructured meshes relatively straightforward. The new approach was applied to the conservation equations governing compressible flows and assessed in terms of accuracy and computational cost. For all problems considered, which included various function reconstructions and idealized flows, CENO demonstrated excellent reliability and robustness. Up to fifth-order accuracy was achieved in smooth regions and essentially non-oscillatory solutions were obtained near discontinuities. The high-order schemes were also more computationally efficient for high-accuracy solutions, i.e., they took less wall time than the lower-order schemes to achieve a desired level of error. In one particular case, it took a factor of 24 less wall-time to obtain a given level of error with the fourth-order CENO scheme than to obtain the same error with the second-order scheme.« less

  17. Investigations of α-helix↔β-sheet transition pathways in a miniprotein using the finite-temperature string method

    SciTech Connect (OSTI)

    Ovchinnikov, Victor; Karplus, Martin; Laboratoire de Chimie Biophysique, ISIS, Université de Strasbourg, 67000 Strasbourg

    2014-05-07

    A parallel implementation of the finite-temperature string method is described, which takes into account the invariance of coordinates with respect to rigid-body motions. The method is applied to the complex α-helix↔β-sheet transition in a β-hairpin miniprotein in implicit solvent, which exhibits much of the complexity of conformational changes in proteins. Two transition paths are considered, one derived from a linear interpolant between the endpoint structures and the other derived from a targeted dynamics simulation. Two methods for computing the conformational free energy (FE) along the string are compared, a restrained method, and a tessellation method introduced by E. Vanden-Eijnden and M. Venturoli [J. Chem. Phys. 130, 194103 (2009)]. It is found that obtaining meaningful free energy profiles using the present atom-based coordinates requires restricting sampling to a vicinity of the converged path, where the hyperplanar approximation to the isocommittor surface is sufficiently accurate. This sampling restriction can be easily achieved using restraints or constraints. The endpoint FE differences computed from the FE profiles are validated by comparison with previous calculations using a path-independent confinement method. The FE profiles are decomposed into the enthalpic and entropic contributions, and it is shown that the entropy difference contribution can be as large as 10 kcal/mol for intermediate regions along the path, compared to 15–20 kcal/mol for the enthalpy contribution. This result demonstrates that enthalpic barriers for transitions are offset by entropic contributions arising from the existence of different paths across a barrier. The possibility of using systematically coarse-grained representations of amino acids, in the spirit of multiple interaction site residue models, is proposed as a means to avoid ad hoc sampling restrictions to narrow transition tubes.

  18. A high-order vertex-based central ENO finite-volume scheme for three-dimensional compressible flows

    SciTech Connect (OSTI)

    Charest, Marc R.J.; Canfield, Thomas R.; Morgan, Nathaniel R.; Waltz, Jacob; Wohlbier, John G.

    2015-03-11

    High-order discretization methods offer the potential to reduce the computational cost associated with modeling compressible flows. However, it is difficult to obtain accurate high-order discretizations of conservation laws that do not produce spurious oscillations near discontinuities, especially on multi-dimensional unstructured meshes. A novel, high-order, central essentially non-oscillatory (CENO) finite-volume method that does not have these difficulties is proposed for tetrahedral meshes. The proposed unstructured method is vertex-based, which differs from existing cell-based CENO formulations, and uses a hybrid reconstruction procedure that switches between two different solution representations. It applies a high-order k-exact reconstruction in smooth regions and a limited linear reconstruction when discontinuities are encountered. Both reconstructions use a single, central stencil for all variables, making the application of CENO to arbitrary unstructured meshes relatively straightforward. The new approach was applied to the conservation equations governing compressible flows and assessed in terms of accuracy and computational cost. For all problems considered, which included various function reconstructions and idealized flows, CENO demonstrated excellent reliability and robustness. Up to fifth-order accuracy was achieved in smooth regions and essentially non-oscillatory solutions were obtained near discontinuities. The high-order schemes were also more computationally efficient for high-accuracy solutions, i.e., they took less wall time than the lower-order schemes to achieve a desired level of error. In one particular case, it took a factor of 24 less wall-time to obtain a given level of error with the fourth-order CENO scheme than to obtain the same error with the second-order scheme.

  19. Exact analysis of particle dynamics in combined field of finite duration laser pulse and static axial magnetic field

    SciTech Connect (OSTI)

    Sagar, Vikram; Sengupta, Sudip; Kaw, Predhiman [Institute for Plasma Research, Bhat, Gandhinagar 382428 (India)

    2012-11-15

    Dynamics of a charged particle is studied in the field of a relativistically intense linearly polarized finite duration laser pulse in the presence of a static axial magnetic field. For a finite duration laser pulse whose temporal shape is defined by Gaussian profile, exact analytical expressions are derived for the particle trajectory, momentum, and energy as function of laser phase. From the solutions, it is shown that, unlike for the monochromatic plane wave case, resonant phase locking time between the particle and laser pulse is finite. The net energy transferred to the particle does not increase monotonically but tends to saturate. It is further shown that appropriate tuning of cyclotron frequency of the particle with the characteristic frequency in the pulse spectrum can lead to the generation of accelerated particles with variable energies in MeV-TeV range.

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

    Office of Scientific and Technical Information (OSTI)

    Linking Network Microstructure to Macroscopic Properties of Siloxane Elastomers Using Combined Nuclear Magnetic Resonance and Mesoscale Computational Modeling Citation Details ...

  1. Lab researchers develop models to analyze mixing in the ocean

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

    scales of less than 100 km and timescales on the order of a month. Mesoscale ocean eddies are currents which flow in a roughly circular motion around the center of the eddy. ...

  2. Shocks and finite-time singularities in Hele-Shaw flow

    SciTech Connect (OSTI)

    Teodorescu, Razvan; Wiegmann, P; Lee, S-y

    2008-01-01

    Hele-Shaw flow at vanishing surface tension is ill-defined. In finite time, the flow develops cusplike singularities. We show that the ill-defined problem admits a weak dispersive solution when singularities give rise to a graph of shock waves propagating in the viscous fluid. The graph of shocks grows and branches. Velocity and pressure jump across the shock. We formulate a few simple physical principles which single out the dispersive solution and interpret shocks as lines of decompressed fluid. We also formulate the dispersive solution in algebro-geometrical terms as an evolution of Krichever-Boutroux complex curve. We study in details the most generic (2,3) cusp singularity which gives rise to an elementary branching event. This solution is self-similar and expressed in terms of elliptic functions.

  3. Dispersion relation and growth rate in a Cherenkov free electron laser: Finite axial magnetic field

    SciTech Connect (OSTI)

    Kheiri, Golshad; Esmaeilzadeh, Mahdi

    2013-12-15

    A theoretical analysis is presented for dispersion relation and growth rate in a Cherenkov free electron laser with finite axial magnetic field. It is shown that the growth rate and the resonance frequency of Cherenkov free electron laser increase with increasing axial magnetic field for low axial magnetic fields, while for high axial magnetic fields, they go to a saturation value. The growth rate and resonance frequency saturation values are exactly the same as those for infinite axial magnetic field approximation. The effects of electron beam self-fields on growth rate are investigated, and it is shown that the growth rate decreases in the presence of self-fields. It is found that there is an optimum value for electron beam density and Lorentz relativistic factor at which the maximum growth rate can take place. Also, the effects of velocity spread of electron beam are studied and it is found that the growth rate decreases due to the electron velocity spread.

  4. Finite element residual stress analysis of induction heating bended ferritic steel piping

    SciTech Connect (OSTI)

    Kima, Jong Sung; Kim, Kyoung-Soo; Oh, Young-Jin; Chang, Hyung-Young; Park, Heung-Bae

    2014-10-06

    Recently, there is a trend to apply the piping bended by induction heating process to nuclear power plants. Residual stress can be generated due to thermo-mechanical mechanism during the induction heating bending process. It is well-known that the residual stress has important effect on crack initiation and growth. The previous studies have focused on the thickness variation. In part, some studies were performed for residual stress evaluation of the austenitic stainless steel piping bended by induction heating. It is difficult to find the residual stresses of the ferritic steel piping bended by the induction heating. The study assessed the residual stresses of induction heating bended ferriticsteel piping via finite element analysis. As a result, it was identified that high residual stresses are generated on local outersurface region of the induction heating bended ferritic piping.

  5. Ion finite Larmor radius effects on the interchange instability in an open system

    SciTech Connect (OSTI)

    Katanuma, I.; Sato, S.; Okuyama, Y.; Kato, S.; Kubota, R. [Plasma Research Center, University of Tsukuba, Tsukuba, Ibaraki 305-8577 (Japan)] [Plasma Research Center, University of Tsukuba, Tsukuba, Ibaraki 305-8577 (Japan)

    2013-11-15

    A particle simulation of an interchange instability was performed by taking into account the ion finite Larmor radius (FLR) effects. It is found that the interchange instability with large FLR grows in two phases, that is, linearly growing phase and the nonlinear phase subsequent to the linear phase, where the instability grows exponentially in both phases. The linear growth rates observed in the simulation agree well with the theoretical calculation. The effects of FLR are usually taken in the fluid simulation through the gyroviscosity, the effects of which are verified in the particle simulation with large FLR regime. The gyroviscous cancellation phenomenon observed in the particle simulation causes the drifts in the direction of ion diamagnetic drifts.

  6. Finite ballooning angle effects on ion temperature gradient driven mode in gyrokinetic flux tube simulations

    SciTech Connect (OSTI)

    Singh, Rameswar, E-mail: rameswar.singh@lpp.polytechnique.fr [Institute for Plasma Research, Bhat Gandhinagar, Gujarat 2382 428 (India) [Institute for Plasma Research, Bhat Gandhinagar, Gujarat 2382 428 (India); Laboratoire de Physique des Plasmas, Ecole Polytechnique, Route de Saclay, 91128 Palaiseau Cedex (France); Brunner, S. [CRPP, Ecole Polytechnique Federale de Lausanne, CH-1015 Lausanne (Switzerland)] [CRPP, Ecole Polytechnique Federale de Lausanne, CH-1015 Lausanne (Switzerland); Ganesh, R. [Institute for Plasma Research, Bhat Gandhinagar, Gujarat 2382 428 (India)] [Institute for Plasma Research, Bhat Gandhinagar, Gujarat 2382 428 (India); Jenko, F. [Max-Planck-Institut fur Plasmaphysik, EURATOM Association, D-85748 Garching (Germany)] [Max-Planck-Institut fur Plasmaphysik, EURATOM Association, D-85748 Garching (Germany)

    2014-03-15

    This paper presents effects of finite ballooning angles on linear ion temperature gradient (ITG) driven mode and associated heat and momentum flux in Gyrokinetic flux tube simulation GENE. It is found that zero ballooning angle is not always the one at which the linear growth rate is maximum. The ITG mode acquires a short wavelength (SW) branch (k{sub ?}?{sub i}?>?1) when growth rates maximized over all ballooning angles are considered. However, the SW branch disappears on reducing temperature gradient showing characteristics of zero ballooning angle SWITG in case of extremely high temperature gradient. Associated heat flux is even with respect to ballooning angle and maximizes at nonzero ballooning angle while the parallel momentum flux is odd with respect to the ballooning angle.

  7. Viscosity and dilepton production of a chemically equilibrating quark-gluon plasma at finite baryon density

    SciTech Connect (OSTI)

    Guan Nana; Li Jianwei; He Zejun; Long Jiali; Cai Xiangzhou; Ma Yugang; Shen Wenqing

    2009-07-15

    By considering the effect of shear viscosity we have investigated the evolution of a chemically equilibrating quark-gluon plasma at finite baryon density. Based on the evolution of the system we have performed a complete calculation for the dilepton production from the following processes: qq{yields}ll, qq{yields}gll, Compton-like scattering (qg{yields}qll,qg{yields}qll), gluon fusion (gg{yields}cc), annihilation (qq{yields}cc), as well as the multiple scattering of quarks. We have found that quark-antiquark annihilation, Compton-like scatterring, gluon fusion, and multiple scattering of quarks give important contributions. Moreover, we have also found that the dilepton yield is an increasing function of the initial quark chemical potential, and the increase of the quark phase lifetime because of the viscosity also obviously raises the dilepton yield.

  8. dgtoexo2: A Distorted Grid Output File to Exodus II Finite Element Database Conversion Utility

    SciTech Connect (OSTI)

    Moffat, H.K.

    1998-12-01

    This report describes how to obtain publication-quality graphics from distorted grid electronic structure codes using the combination of the conversion utility, dgtoexo2, and mustafa, an AVS Express application. dgtoexo2 converts scalar function results from a format applicable to distorted grid codes into the Exodus II unstructured finite element data representation. nmstafa can read Exodus II files and use the AVS Express engine to visualize data on unix and Windows NT platforms. Though not designed for the purpose, the dgtoexo2/EXOdUS II/mustafa combination is sufficiently versatile to provide for the specialized graphics needs of electronic structure codes. The combination also scales well, producing robust performance for problems involving millions of grid points.

  9. GRIZ: Finite element analysis results visualization for unstructured grids. User manual

    SciTech Connect (OSTI)

    Dovey, D.J.; Spelce, T.E.

    1993-10-01

    GRIZ supports interactive visualization of finite element analysis results on unstructured grids. GRIZ is a general-purpose post-processing application which is designed to work with a variety of an analysis codes. Currently, GRIZ is capable of calculating and displaying derived variables for the DYNA3D, NIKE3D and TOPAZ3D analysis codes. GRIZ reads in data files in the ``MDG plotfile`` format. GRIZ provides support for modern 3D visualization techniques such as isosurface display, cutting planes and display of vector data. GRIZ also incorporates the ability to animate data over time and to store animation frames to a video disk. GRIZ is designed to utilize the capabilities of modern graphics workstations which provide hardware support for 3D graphics, thereby giving the user as much interactive performance as possible. This should make it easier for analysts to explore and interrogate their analysis results.

  10. First Passage Moments of Finite-State Semi-Markov Processes

    SciTech Connect (OSTI)

    Warr, Richard; Cordeiro, James

    2014-03-31

    In this paper, we discuss the computation of first-passage moments of a regular time-homogeneous semi-Markov process (SMP) with a finite state space to certain of its states that possess the property of universal accessibility (UA). A UA state is one which is accessible from any other state of the SMP, but which may or may not connect back to one or more other states. An important characteristic of UA is that it is the state-level version of the oft-invoked process-level property of irreducibility. We adapt existing results for irreducible SMPs to the derivation of an analytical matrix expression for the first passage moments to a single UA state of the SMP. In addition, consistent point estimators for these first passage moments, together with relevant R code, are provided.

  11. Finite element analysis of three TVA dams with alkali-aggregate reaction

    SciTech Connect (OSTI)

    Grenoble, B.A.; Meisenheimer, J.K.; Wagner, C.D.; Newell, V.A.

    1995-12-31

    Three large Tennessee Valley Authority (TVA) dams are currently experiencing problems caused by alkali-aggregate reaction (AAR). Since the fall of 1990, engineers in Stone & Webster`s Denver, Colorado office have been working with TVA to evaluate how AAR is affecting the dams and to identify measures for controlling the adverse effects of the concrete growth. This paper provides an overview of how finite element analysis is being used to understand the affects of AAR on these structures and to evaluate alternatives for minimizing the adverse effects of the concrete growth. Work on Hiwassee Dam is essentially complete, while that on the Chickamauga and Fontana Projects is still in progress. Consequently, this paper will focus primarily on Hiwassee Dam. The ongoing work on the other two projects will only be discussed briefly.

  12. Finite-size scaling analysis of spin correlations and fluctuations of two quantum dots in a T-shape geometry

    SciTech Connect (OSTI)

    Heidrich-Meisner, Fabian; Martins, G. B.; Al Hassanieh, Khaled A; Feiguin, A. E.; Dagotto, Elbio R

    2008-01-01

    The study of interacting nanostructures such as quantum dots is a playground for several novel numerical approaches. Recently developed methods such as the time-dependent density matrix renormalization approach or the embedded-cluster approximation rely on the numerical solution of clusters of finite-size. For the interpretation of numerical results, it is important to understand finite-size and boundary effects. Here, we study spin fluctuations and spin spin correlations of two dots coupled in a T-shape geometry. Depending on odd even effects, quite different results emerge from clusters that do not differ much in size. r 2007 Elsevier B.V. All rights reserved.

  13. Albany/FELIX: A parallel, scalable and robust, finite element, first-order Stokes approximation ice sheet solver built for advanced analysis

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

    Tezaur, I. K.; Perego, M.; Salinger, A. G.; Tuminaro, R. S.; Price, S. F.

    2015-04-27

    This paper describes a new parallel, scalable and robust finite element based solver for the first-order Stokes momentum balance equations for ice flow. The solver, known as Albany/FELIX, is constructed using the component-based approach to building application codes, in which mature, modular libraries developed as a part of the Trilinos project are combined using abstract interfaces and template-based generic programming, resulting in a final code with access to dozens of algorithmic and advanced analysis capabilities. Following an overview of the relevant partial differential equations and boundary conditions, the numerical methods chosen to discretize the ice flow equations are described, alongmore » with their implementation. The results of several verification studies of the model accuracy are presented using (1) new test cases for simplified two-dimensional (2-D) versions of the governing equations derived using the method of manufactured solutions, and (2) canonical ice sheet modeling benchmarks. Model accuracy and convergence with respect to mesh resolution are then studied on problems involving a realistic Greenland ice sheet geometry discretized using hexahedral and tetrahedral meshes. Also explored as a part of this study is the effect of vertical mesh resolution on the solution accuracy and solver performance. The robustness and scalability of our solver on these problems is demonstrated. Lastly, we show that good scalability can be achieved by preconditioning the iterative linear solver using a new algebraic multilevel preconditioner, constructed based on the idea of semi-coarsening.« less

  14. Albany/FELIX: A parallel, scalable and robust, finite element, first-order Stokes approximation ice sheet solver built for advanced analysis

    SciTech Connect (OSTI)

    Tezaur, I. K.; Perego, M.; Salinger, A. G.; Tuminaro, R. S.; Price, S. F.

    2015-04-27

    This paper describes a new parallel, scalable and robust finite element based solver for the first-order Stokes momentum balance equations for ice flow. The solver, known as Albany/FELIX, is constructed using the component-based approach to building application codes, in which mature, modular libraries developed as a part of the Trilinos project are combined using abstract interfaces and template-based generic programming, resulting in a final code with access to dozens of algorithmic and advanced analysis capabilities. Following an overview of the relevant partial differential equations and boundary conditions, the numerical methods chosen to discretize the ice flow equations are described, along with their implementation. The results of several verification studies of the model accuracy are presented using (1) new test cases for simplified two-dimensional (2-D) versions of the governing equations derived using the method of manufactured solutions, and (2) canonical ice sheet modeling benchmarks. Model accuracy and convergence with respect to mesh resolution are then studied on problems involving a realistic Greenland ice sheet geometry discretized using hexahedral and tetrahedral meshes. Also explored as a part of this study is the effect of vertical mesh resolution on the solution accuracy and solver performance. The robustness and scalability of our solver on these problems is demonstrated. Lastly, we show that good scalability can be achieved by preconditioning the iterative linear solver using a new algebraic multilevel preconditioner, constructed based on the idea of semi-coarsening.

  15. 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 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 Modeling Authors:

  16. A Thermo-Optic Propagation Modeling Capability.

    SciTech Connect (OSTI)

    Schrader, Karl; Akau, Ron

    2014-10-01

    A new theoretical basis is derived for tracing optical rays within a finite-element (FE) volume. The ray-trajectory equations are cast into the local element coordinate frame and the full finite-element interpolation is used to determine instantaneous index gradient for the ray-path integral equation. The FE methodology (FEM) is also used to interpolate local surface deformations and the surface normal vector for computing the refraction angle when launching rays into the volume, and again when rays exit the medium. The method is implemented in the Matlab(TM) environment and compared to closed- form gradient index models. A software architecture is also developed for implementing the algorithms in the Zemax(TM) commercial ray-trace application. A controlled thermal environment was constructed in the laboratory, and measured data was collected to validate the structural, thermal, and optical modeling methods.

  17. A micromechanics model for bread dough

    SciTech Connect (OSTI)

    Mohammed, M. A. P; Tarleton, E.; Charalambides, M. N.; Williams, J. G.

    2015-01-22

    The mechanical behaviour of dough and gluten was studied in an effort to investigate whether bread dough can be treated as a two phase (starch and gluten) composite material. The dough and gluten show rate dependent behaviour under tension, compression and shear tests, and non-linear unloading-reloading curves under cyclic compression tests. There is evidence from cryo-Scanning Electron Microscopy (SEM) that damage in the form of debonding between starch and gluten occurs when the sample is stretched. A composite finite element model was developed using starch as filler and gluten as matrix. The interaction between the starch and gluten was modelled as cohesive contact. The finite element analysis predictions agree with trends seen in experimental test data on dough and gluten, further evidence that debonding of starch and gluten is a possible damage mechanism in dough.

  18. 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 simulations, on the other hand, are performed by numerical weather prediction (NWP) codes, which cannot handle the geometry of the urban landscape, but do provide a more complete representation of atmospheric physics. NWP codes typically use structured grids with terrain-following vertical coordinates, include a full suite of atmospheric physics parameterizations, and allow for dynamic synoptic scale lateral forcing through grid nesting. Terrain following grids are unsuitable for urban terrain, as steep terrain gradients cause extreme distortion of the computational cells. In this work, we introduce and develop an immersed boundary method (IBM) to allow the favorable properties of a numerical weather prediction code to be combined with the ability to handle complex terrain. IBM uses a non-conforming structured grid, and allows solid boundaries to pass through the computational cells. As the terrain passes through the mesh in an arbitrary manner, the main goal of the IBM is to apply the boundary condition on the interior of the domain as accurately as possible. With the implementation of the IBM, numerical weather prediction codes can be used to explicitly resolve urban terrain. Heterogeneous urban domains using the IBM can be nested into larger mesoscale domains using a terrain-following coordinate. The larger mesoscale domain provides lateral boundary conditions to the urban domain with the correct forcing, allowing seamless integration between mesoscale and urban scale models. Further discussion of the scope of this project is given by Lundquist et al. [2007]. The current paper describes the implementation of an IBM into the Weather Research and Forecasting (WRF) model, which is an open source numerical weather prediction code. The WRF model solves the non-hydrostatic compressible Navier-Stokes equations, and employs an isobaric terrain-following vertical coordinate. Many types of IB methods have been developed by researchers; a comprehensive review can be found in Mittal and Iaccarino [2005]. To the authors knowledge, this is the first IBM approach that is able to

  19. Modeling Mechanical Behavior of a Prismatic Replaceable Reflector Block

    SciTech Connect (OSTI)

    Robert Bratton

    2009-04-01

    This report outlines the development of finite element models used to determine temperature and stresses in a prismatic core reflector block. This initial analysis determines an appropriate temperature distribution in a prismatic reflector from limiting conditions in the adjacent fuel block based on simplifying assumptions.

  20. Spreading of energy in the Ding-Dong model

    SciTech Connect (OSTI)

    Roy, S.; Pikovsky, A.

    2012-06-15

    We study the properties of energy spreading in a lattice of elastically colliding harmonic oscillators (Ding-Dong model). We demonstrate that in the regular lattice the spreading from a localized initial state is mediated by compactons and chaotic breathers. In a disordered lattice, the compactons do not exist, and the spreading eventually stops, resulting in a finite configuration with a few chaotic spots.

  1. Chiral restoration at finite T under the magnetic field with the meson-loop corrections

    SciTech Connect (OSTI)

    Nam, Seung-il; Kao, Chung-Wen

    2011-05-01

    We investigate the (partial) chiral restoration at finite temperature (T) under the strong external magnetic field B=B{sub 0}z-circumflex of the SU(2) light-flavor QCD matter. To this end, we employ the instanton-liquid QCD vacuum configuration accompanied with the linear Schwinger method for inducing the magnetic field. The Harrington-Shepard caloron solution is used to modify the instanton parameters, i.e. the average instanton size ({rho}) and interinstanton distance (R), as functions of T. In addition, we include the meson-loop corrections as the large-N{sub c} corrections because they are critical for reproducing the universal chiral-restoration pattern. We present the numerical results for the constituent-quark mass as well as chiral condensate, which signal the spontaneous breakdown of chiral-symmetry (SB{chi}S), as functions of T and B{sub 0}. From our results we observe that the strengths of those chiral order parameters are enhanced with respect to B{sub 0} due to the magnetic-catalysis effect. We also find that there appears a region where the u and d-quark constituent masses coincide with each other at eB{sub 0{approx_equal}}(7-9)m{sub {pi}}{sup 2}, even in the presence of the explicit isospin breaking (m{sub u{ne}}m{sub d}). The critical T for the chiral restoration T{sub c} tends to shift to the higher temperature in the presence of the B{sub 0} for the chiral limit but keeps almost stationary for the physical quark mass case. The strength of the isospin breaking between the quark condensates is also explored in detail by defining the ratio R{identical_to}(-)/(+), which indicates the competition between the explicitly isospin-breaking effect and magnetic-catalysis effect. We also compute the pion weak-decay constant F{sub {pi}} and pion mass m{sub {pi}} below T{sub c}, varying the strength of the magnetic field, showing correct partial chiral-restoration behaviors. Besides we find that the changes for the F{sub {pi}} and m{sub {pi}} due to the magnetic field is relatively small, in comparison to those caused by the finite T effect.

  2. Thermal emission and absorption of radiation in finite inverted-opal photonic crystals

    SciTech Connect (OSTI)

    Florescu, Marian; Stimpson, Andrew J.; Lee, Hwang; Dowling, Jonathan

    2005-09-15

    We study theoretically the optical properties of a finite inverted-opal photonic crystal. The light-matter interaction is strongly affected by the presence of the three-dimensional photonic crystal and the alterations of the light emission and absorption processes can be used to suppress or enhance the thermal emissivity and absorptivity of the dielectric structure. We investigate the influence of the absorption present in the system on the relevant band edge frequencies that control the optical response of the photonic crystal. Our study reveals that the absorption processes cause spectral broadening and shifting of the band edge optical resonances, and determine a strong reduction of the photonic band gap spectral range. Using the angular and spectral dependence of the band edge frequencies for stop bands along different directions, we argue that by matching the blackbody emission spectrum peak with a prescribed maximum of the absorption coefficient, it is possible to achieve an angle-sensitive enhancement of the thermal emission/absorption of radiation. This result opens a way to realize a frequency-sensitive and angle-sensitive photonic crystal absorbers/emitters.

  3. MAGNETOROTATIONAL TURBULENCE IN STRATIFIED SHEARING BOXES WITH PERFECT GAS EQUATION OF STATE AND FINITE THERMAL DIFFUSIVITY

    SciTech Connect (OSTI)

    Bodo, G.; Rossi, P.; Cattaneo, F.; Mignone, A.

    2012-12-20

    We present a numerical study of turbulence and dynamo action in stratified shearing boxes with zero mean magnetic flux. We assume that the fluid obeys the perfect gas law and has finite (constant) thermal diffusivity. The calculations begin from an isothermal state spanning three scale heights above and below the mid-plane. After a long transient the layers settle to a stationary state in which thermal losses out of the boundaries are balanced by dissipative heating. We identify two regimes. The first is a conductive regime in which the heat is transported mostly by conduction and the density decreases with height. In the limit of large thermal diffusivity this regime resembles the more familiar isothermal case. The second is the convective regime, observed at smaller values of the thermal diffusivity, in which the layer becomes unstable to overturning motions, the heat is carried mostly by advection, and the density becomes nearly constant throughout the layer. In this latter constant-density regime we observe evidence for large-scale dynamo action leading to a substantial increase in transport efficiency relative to the conductive case.

  4. Parallel Higher-order Finite Element Method for Accurate Field Computations in Wakefield and PIC Simulations

    SciTech Connect (OSTI)

    Candel, A.; Kabel, A.; Lee, L.; Li, Z.; Limborg, C.; Ng, C.; Prudencio, E.; Schussman, G.; Uplenchwar, R.; Ko, K.; /SLAC

    2009-06-19

    Over the past years, SLAC's Advanced Computations Department (ACD), under SciDAC sponsorship, has developed a suite of 3D (2D) parallel higher-order finite element (FE) codes, T3P (T2P) and Pic3P (Pic2P), aimed at accurate, large-scale simulation of wakefields and particle-field interactions in radio-frequency (RF) cavities of complex shape. The codes are built on the FE infrastructure that supports SLAC's frequency domain codes, Omega3P and S3P, to utilize conformal tetrahedral (triangular)meshes, higher-order basis functions and quadratic geometry approximation. For time integration, they adopt an unconditionally stable implicit scheme. Pic3P (Pic2P) extends T3P (T2P) to treat charged-particle dynamics self-consistently using the PIC (particle-in-cell) approach, the first such implementation on a conformal, unstructured grid using Whitney basis functions. Examples from applications to the International Linear Collider (ILC), Positron Electron Project-II (PEP-II), Linac Coherent Light Source (LCLS) and other accelerators will be presented to compare the accuracy and computational efficiency of these codes versus their counterparts using structured grids.

  5. 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.

  6. 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.

  7. Phase diagram and critical end point in nonlocal PNJL models with wavefunction renormalization

    SciTech Connect (OSTI)

    Contrera, Gustavo A.; Orsaria, Milva G.; Scoccola, Norberto N.

    2010-11-12

    We study the chiral phase transition at finite temperature and chemical potential considering a non-local chiral quark model which includes wave-function renormalization and coupling to the Polyakov loop. In particular, we determine the position of the Critical End Point as well as the value of the associated critical exponents for different model parameterizations.

  8. Method of pressurizing and stabilizing rock by periodic and repeated injections of a settable fluid of finite gel strength

    DOE Patents [OSTI]

    Colgate, Stirling A.

    1983-01-01

    A finite region of overpressure can be created in solid underground formations by the periodic injection of a fluid that has finite gel strength that subsequently, after each injection, partially sets--i.e., equivalently becomes a very much stronger gel. A region of overpressure is a region in which the static, locked in pressure is larger than what was there before. A region of overpressure can be used to prevent a roof of a tunnel from caving by adding compressive stresses in the roof. A sequence of regions of overpressure can be used to lift an arch or dome underground, squeeze off water or gas flows, stabilize dams, foundations, large underground rooms, etc. In general, the stress or pressure distribution in rock can be altered and engineered in a fashion that is more advantageous than what would have been the case without overstressing.

  9. Method of pressurizing and stabilizing rock by periodic and repeated injections of a settable fluid of finite gel strength

    DOE Patents [OSTI]

    Colgate, S.A.

    1983-01-25

    A finite region of overpressure can be created in solid underground formations by the periodic injection of a fluid that has finite gel strength that subsequently, after each injection, partially sets--i.e., equivalently becomes a very much stronger gel. A region of overpressure is a region in which the static, locked in pressure is larger than what was there before. A region of overpressure can be used to prevent a roof of a tunnel from caving by adding compressive stresses in the roof. A sequence of regions of overpressure can be used to lift an arch or dome underground, squeeze off water or gas flows, stabilize dams, foundations, large underground rooms, etc. In general, the stress or pressure distribution in rock can be altered and engineered in a fashion that is more advantageous than what would have been the case without overstressing. 3 figs.

  10. On the Development & Performance of a First Order Stokes Finite Element Ice Sheet Dycore Built Using Trilinos Software Components

    Office of Scientific and Technical Information (OSTI)

    599C n the Development & Performance of a First Order Stokes Finite Element Ice Sheet Dycore Built Using Trilinos Software Components I. Tezaur*, A. Salinger, M. Perego, R. Tuminaro Sandia National Laboratories Livermore, CA and Albuquerque, NM With contributions from: I. Demeshko (SNL), S. Price (LANL) and M. Hoffman (LANL) Saturday, March 14, 2015 SIAM Conference on Computational Science & Engineering (CS&E) 2015 Salt Lake City, UT *Formerly I. Kalashnikova. Sandia National

  11. Modeling the Mechanical Performance of Die Casting Dies

    SciTech Connect (OSTI)

    R. Allen Miller

    2004-02-27

    The following report covers work performed at Ohio State on modeling the mechanical performance of dies. The focus of the project was development and particularly verification of finite element techniques used to model and predict displacements and stresses in die casting dies. The work entails a major case study performed with and industrial partner on a production die and laboratory experiments performed at Ohio State.

  12. JAC3D -- A three-dimensional finite element computer program for the nonlinear quasi-static response of solids with the conjugate gradient method; Yucca Mountain Site Characterization Project

    SciTech Connect (OSTI)

    Biffle, J.H.

    1993-02-01

    JAC3D is a three-dimensional finite element program designed to solve quasi-static nonlinear mechanics problems. A set of continuum equations describes the nonlinear mechanics involving large rotation and strain. A nonlinear conjugate gradient method is used to solve the equation. The method is implemented in a three-dimensional setting with various methods for accelerating convergence. Sliding interface logic is also implemented. An eight-node Lagrangian uniform strain element is used with hourglass stiffness to control the zero-energy modes. This report documents the elastic and isothermal elastic-plastic material model. Other material models, documented elsewhere, are also available. The program is vectorized for efficient performance on Cray computers. Sample problems described are the bending of a thin beam, the rotation of a unit cube, and the pressurization and thermal loading of a hollow sphere.

  13. 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

  14. Generalizing the self-healing diffusion Monte Carlo approach to finite temperature: a path for the optimization of low-energy many-body basis expansions

    SciTech Connect (OSTI)

    Kim, Jeongnim; Reboredo, Fernando A

    2014-01-01

    The self-healing diffusion Monte Carlo method for complex functions [F. A. Reboredo J. Chem. Phys. {\\bf 136}, 204101 (2012)] and some ideas of the correlation function Monte Carlo approach [D. M. Ceperley and B. Bernu, J. Chem. Phys. {\\bf 89}, 6316 (1988)] are blended to obtain a method for the calculation of thermodynamic properties of many-body systems at low temperatures. In order to allow the evolution in imaginary time to describe the density matrix, we remove the fixed-node restriction using complex antisymmetric trial wave functions. A statistical method is derived for the calculation of finite temperature properties of many-body systems near the ground state. In the process we also obtain a parallel algorithm that optimizes the many-body basis of a small subspace of the many-body Hilbert space. This small subspace is optimized to have maximum overlap with the one expanded by the lower energy eigenstates of a many-body Hamiltonian. We show in a model system that the Helmholtz free energy is minimized within this subspace as the iteration number increases. We show that the subspace expanded by the small basis systematically converges towards the subspace expanded by the lowest energy eigenstates. Possible applications of this method to calculate the thermodynamic properties of many-body systems near the ground state are discussed. The resulting basis can be also used to accelerate the calculation of the ground or excited states with Quantum Monte Carlo.

  15. Equivalence between XY and dimerized models

    SciTech Connect (OSTI)

    Campos Venuti, Lorenzo; Roncaglia, Marco

    2010-06-15

    The spin-1/2 chain with XY anisotropic coupling in the plane and the XX isotropic dimerized chain are shown to be equivalent in the bulk. For finite systems, we prove that the equivalence is exact in given parity sectors, after taking care of the precise boundary conditions. The proof is given constructively by finding unitary transformations that map the models onto each other. Moreover, we considerably generalized our mapping and showed that even in the case of fully site-dependent couplings the XY chain can be mapped onto an XX model. This result has potential application in the study of disordered systems.

  16. Finite-element analysis of the deformation of thin Mylar films...

    Office of Scientific and Technical Information (OSTI)

    ANSYS is used to model the contact deformation of a 48 gauge Mylar film under bearing load, supported by a stiffer material. Simulation results are presented and compared to other ...

  17. Finite Volume Based Computer Program for Ground Source Heat Pump Systems

    Broader source: Energy.gov [DOE]

    Project objective: Create a new modeling decisionŽ tool that will enable ground source heat pump (GSHP) designers and customers to make better design and purchasing decisions.

  18. Circuit model optimization of a nano split ring resonator dimer antenna operating in infrared spectral range

    SciTech Connect (OSTI)

    Gneiding, N.; Zhuromskyy, O.; Peschel, U.; Shamonina, E.

    2014-10-28

    Metamaterials are comprised of metallic structures with a strong response to incident electromagnetic radiation, like, for example, split ring resonators. The interaction of resonator ensembles with electromagnetic waves can be simulated with finite difference or finite elements algorithms, however, above a certain ensemble size simulations become inadmissibly time or memory consuming. Alternatively a circuit description of metamaterials, a well developed modelling tool at radio and microwave frequencies, allows to significantly increase the simulated ensemble size. This approach can be extended to the IR spectral range with an appropriate set of circuit element parameters accounting for physical effects such as electron inertia and finite conductivity. The model is verified by comparing the coupling coefficients with the ones obtained from the full wave numerical simulations, and used to optimize the nano-antenna design with improved radiation characteristics.

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

    SciTech Connect (OSTI)

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

    2003-02-01

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

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

    SciTech Connect (OSTI)

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

    2003-02-25

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

  1. 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.

  2. The handbook of fluid dynamics

    SciTech Connect (OSTI)

    Johnson, R.W.

    1998-07-01

    This book provides professionals in the field of fluid dynamics with a comprehensive guide and resource. The book balances three traditional areas of fluid mechanics--theoretical, computational, and experimental--and expounds on basic science and engineering techniques. Each chapter introduces a topic, discusses the primary issues related to this subject, outlines approaches taken by experts, and supplies references for further information. Topics discussed include: (1) basic engineering fluid dynamics; (2) classical fluid dynamics; (3) turbulence modeling; (4) reacting flows; (5) multiphase flows; (6) flow and porous media; (7) high Reynolds number asymptotic theories; (8) finite difference method; (9) finite volume method; (10) finite element methods; (11) spectral element methods for incompressible flows; (12) experimental methods, such as hot-wire anemometry, laser-Doppler velocimetry, and flow visualization; and (13) applications, such as axial-flow compressor and fan aerodynamics, turbomachinery, airfoils and wings, atmospheric flows, and mesoscale oceanic flows.

  3. Experimental Validation of LLNL Finite Element Codes for Nonlinear Seismic Simulations (Progress, Year 1 of 2)

    SciTech Connect (OSTI)

    Alves, S W; Noble, C R

    2006-12-06

    Shake table tests were performed on a full-scale 7-story slice of a reinforced concrete building at UC San Diego between October 2005 and January 2006. The tests were performed on the NEES Large High-Performance Outdoor Shake Table (LHPOST) at the Engelkirk Structural Engineering Center of UCSD. The structure was subjected to four uniaxial earthquake ground motions of increasing amplitude. The accelerations measured at the base of the structure and the measured roof displacements have been provided by UCSD. Details of the building construction have also been provided by UCSD. The measured response of this structure was used to assess the capability of the homogenized rebar model in DYNA3D/ParaDyn [1,2] to simulate the seismic response of reinforced concrete structures. The homogenized rebar model is a composite version of the Karagozian & Case concrete model [3]. Work has been done to validate this material model for use in blast simulations, but seismic simulations require longer durations. The UCSD experiment provides full-scale data that can be used to validate seismic modeling capabilities.

  4. FELIX-1.0: A finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation

    SciTech Connect (OSTI)

    Regnier, D.; Verriere, M.; Dubray, N.; Schunck, N.

    2015-11-30

    In this study, we describe the software package FELIX that solves the equations of the time-dependent generator coordinate method (TDGCM) in NN-dimensions (N ≥ 1) under the Gaussian overlap approximation. The numerical resolution is based on the Galerkin finite element discretization of the collective space and the Crank–Nicolson scheme for time integration. The TDGCM solver is implemented entirely in C++. Several additional tools written in C++, Python or bash scripting language are also included for convenience. In this paper, the solver is tested with a series of benchmarks calculations. We also demonstrate the ability of our code to handle a realistic calculation of fission dynamics.

  5. Stopping power for a charged particle moving through three-dimensional nonideal finite-temperature electron gases

    SciTech Connect (OSTI)

    Zhang Ya; Song Yuanhong; Wang Younian [School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian 116024 (China)

    2011-07-15

    We investigate the interaction of a charged particle with nonideal 3D electron gases by using the quantum hydrodynamic (QHD) theory. The stopping power for a nonideal electron gas at a finite-temperature has been theoretically analyzed and numerically calculated. In our calculation, the impact of nonideality and temperature on stopping power is stressed and clearly presented. The QHD dielectric function is obtained and compared to random-phase approximation result. It is shown that the QHD theory can properly describe the stopping power for higher particle velocities greater than the Bohr velocity.

  6. A Freestream-Preserving High-Order Finite-Volume Method for Mapped Grids with Adaptive-Mesh Refinement

    SciTech Connect (OSTI)

    Guzik, S; McCorquodale, P; Colella, P

    2011-12-16

    A fourth-order accurate finite-volume method is presented for solving time-dependent hyperbolic systems of conservation laws on mapped grids that are adaptively refined in space and time. Novel considerations for formulating the semi-discrete system of equations in computational space combined with detailed mechanisms for accommodating the adapting grids ensure that conservation is maintained and that the divergence of a constant vector field is always zero (freestream-preservation property). Advancement in time is achieved with a fourth-order Runge-Kutta method.

  7. An adaptive multiblock high-order finite-volume method for solving the shallow-water equations on the sphere

    SciTech Connect (OSTI)

    McCorquodale, Peter; Ullrich, Paul A.; Johansen, Hans; Colella, Phillip

    2015-06-16

    We present a high-order finite-volume approach for solving the shallow-water equations on the sphere, using multiblock grids on the cubed-sphere. This approach combines a Runge--Kutta time discretization with a fourth-order accurate spatial discretization, and includes adaptive mesh refinement and refinement in time. Results of tests show fourth-order convergence for the shallow-water equations as well as for advection in a highly deformational flow. Hierarchical adaptive mesh refinement allows solution error to be achieved that is comparable to that obtained with uniform resolution of the most refined level of the hierarchy, but with many fewer operations.

  8. Barriers in the transition to global chaos in collisionless magnetic reconnection. I. Ridges of the finite time Lyapunov exponent field

    SciTech Connect (OSTI)

    Borgogno, D.; Grasso, D.; Pegoraro, F.; Schep, T. J.

    2011-10-15

    The transitional phase from local to global chaos in the magnetic field of a reconnecting current layer is investigated. Regions where the magnetic field is stochastic exist next to regions where the field is more regular. In regions between stochastic layers and between a stochastic layer and an island structure, the field of the finite time Lyapunov exponent (FTLE) shows a structure with ridges. These ridges, which are special gradient lines that are transverse to the direction of minimum curvature of this field, are approximate Lagrangian coherent structures (LCS) that act as barriers for the transport of field lines.

  9. Inductive Sustainment of Oblate FRCs with the Assistance of Magnetic Diffusion, Shaping and Finite-Lamor Radius Stabilization

    SciTech Connect (OSTI)

    Gerhardt, S.; Belova, E. V.; Yamada, M.; Ji, H.; Inomoto, M.; Jacobson, C. M.; Maqueda, R.; McGeehan, B.; Y., Ren

    2008-07-31

    Oblate field-reversed configurations FRCs have been sustained for >300 µs, or >15 magnetic diffusion times, through the use of an inductive solenoid. These argon FRCs can have their poloidal flux sustained or increased, depending on the timing and strength of the induction. An inward pinch is observed during sustainment, leading to a peaking of the pressure profile and maintenance of the FRC equilibrium. The good stability observed in argon (and krypton) does not transfer to lighter gases, which develop terminal co-interchange instabilities. The stability in argon and krypton is attributed to a combination of external field shaping, magnetic diffusion, and finite-Larmor radius effects.

  10. Wakefield Computations for the CLIC PETS using the Parallel Finite Element Time-Domain Code T3P

    SciTech Connect (OSTI)

    Candel, A; Kabel, A.; Lee, L.; Li, Z.; Ng, C.; Schussman, G.; Ko, K.; Syratchev, I.; /CERN

    2009-06-19

    In recent years, SLAC's Advanced Computations Department (ACD) has developed the high-performance parallel 3D electromagnetic time-domain code, T3P, for simulations of wakefields and transients in complex accelerator structures. T3P is based on advanced higher-order Finite Element methods on unstructured grids with quadratic surface approximation. Optimized for large-scale parallel processing on leadership supercomputing facilities, T3P allows simulations of realistic 3D structures with unprecedented accuracy, aiding the design of the next generation of accelerator facilities. Applications to the Compact Linear Collider (CLIC) Power Extraction and Transfer Structure (PETS) are presented.

  11. Increasing cell culture population doublings for long-term growth of finite life span human cell cultures

    DOE Patents [OSTI]

    Stampfer, Martha R; Garbe, James C

    2015-02-24

    Cell culture media formulations for culturing human epithelial cells are herein described. Also described are methods of increasing population doublings in a cell culture of finite life span human epithelial cells and prolonging the life span of human cell cultures. Using the cell culture media disclosed alone and in combination with addition to the cell culture of a compound associated with anti-stress activity achieves extended growth of pre-stasis cells and increased population doublings and life span in human epithelial cell cultures.

  12. 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.

  13. 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

  14. Modeling Creep-Fatigue-Environment Interactions in Steam Turbine Rotor Materials for Advanced Ultra-supercritical Coal Power Plants

    SciTech Connect (OSTI)

    Shen, Chen

    2014-01-20

    The goal of this project is to model creep-fatigue-environment interactions in steam turbine rotor materials for advanced ultra-supercritical (A-USC) coal power Alloy 282 plants, to develop and demonstrate computational algorithms for alloy property predictions, and to determine and model key mechanisms that contribute to the damages caused by creep-fatigue-environment interactions. The nickel based Alloy 282 is selected for this project because it is one of the leading candidate materials for the high temperature/pressure section of an A-USC steam turbine. The methods developed in the project are expected to be applicable to other metal alloys in similar steam/oxidation environments. The major developments are:  failure mechanism and microstructural characterization  atomistic and first principles modeling of crack tip oxygen embrittlement  modeling of gamma prime microstructures and mesoscale microstructure-defect interactions  microstructure and damage-based creep prediction  multi-scale crack growth modeling considering oxidation, viscoplasticity and fatigue The technology developed in this project is expected to enable more accurate prediction of long service life of advanced alloys for A-USC power plants, and provide faster and more effective materials design, development, and implementation than current state-of-the-art computational and experimental methods. This document is a final technical report for the project, covering efforts conducted from January 2011 to January 2014.

  15. Wave propagation in anisotropic elastic materials and curvilinear coordinates using a summation-by-parts finite difference method

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

    Petersson, N. Anders; Sjogreen, Bjorn

    2015-07-20

    We develop a fourth order accurate finite difference method for solving the three-dimensional elastic wave equation in general heterogeneous anisotropic materials on curvilinear grids. The proposed method is an extension of the method for isotropic materials, previously described in the paper by Sjögreen and Petersson (2012) [11]. The method we proposed discretizes the anisotropic elastic wave equation in second order formulation, using a node centered finite difference method that satisfies the principle of summation by parts. The summation by parts technique results in a provably stable numerical method that is energy conserving. Also, we generalize and evaluate the super-grid far-fieldmore » technique for truncating unbounded domains. Unlike the commonly used perfectly matched layers (PML), the super-grid technique is stable for general anisotropic material, because it is based on a coordinate stretching combined with an artificial dissipation. Moreover, the discretization satisfies an energy estimate, proving that the numerical approximation is stable. We demonstrate by numerical experiments that sufficiently wide super-grid layers result in very small artificial reflections. Applications of the proposed method are demonstrated by three-dimensional simulations of anisotropic wave propagation in crystals.« less

  16. Wave propagation in anisotropic elastic materials and curvilinear coordinates using a summation-by-parts finite difference method

    SciTech Connect (OSTI)

    Petersson, N. Anders; Sjogreen, Bjorn

    2015-07-20

    We develop a fourth order accurate finite difference method for solving the three-dimensional elastic wave equation in general heterogeneous anisotropic materials on curvilinear grids. The proposed method is an extension of the method for isotropic materials, previously described in the paper by Sjögreen and Petersson (2012) [11]. The method we proposed discretizes the anisotropic elastic wave equation in second order formulation, using a node centered finite difference method that satisfies the principle of summation by parts. The summation by parts technique results in a provably stable numerical method that is energy conserving. Also, we generalize and evaluate the super-grid far-field technique for truncating unbounded domains. Unlike the commonly used perfectly matched layers (PML), the super-grid technique is stable for general anisotropic material, because it is based on a coordinate stretching combined with an artificial dissipation. Moreover, the discretization satisfies an energy estimate, proving that the numerical approximation is stable. We demonstrate by numerical experiments that sufficiently wide super-grid layers result in very small artificial reflections. Applications of the proposed method are demonstrated by three-dimensional simulations of anisotropic wave propagation in crystals.

  17. Rationalizing the role of structural motif and underlying electronic structure in the finite temperature behavior of atomic clusters

    SciTech Connect (OSTI)

    Susan, Anju; Joshi, Kavita

    2014-04-21

    Melting in finite size systems is an interesting but complex phenomenon. Many factors affect melting and owing to their interdependencies it is a challenging task to rationalize their roles in the phase transition. In this work, we demonstrate how structural motif of the ground state influences melting transition in small clusters. Here, we report a case with clusters of aluminum and gallium having same number of atoms, valence electrons, and similar structural motif of the ground state but drastically different melting temperatures. We have employed Born-Oppenheimer molecular dynamics to simulate the solid-like to liquid-like transition in these clusters. Our simulations have reproduced the experimental trends fairly well. Further, the detailed analysis of isomers has brought out the role of the ground state structure and underlying electronic structure in the finite temperature behavior of these clusters. For both clusters, isomers accessible before cluster melts have striking similarities and does have strong influence of the structural motif of the ground state. Further, the shape of the heat capacity curve is similar in both the cases but the transition is more spread over for Al{sub 36} which is consistent with the observed isomerization pattern. Our simulations also suggest a way to characterize transition region on the basis of accessibility of the ground state at a specific temperature.

  18. Verification of the W76-1 hostile environments model

    SciTech Connect (OSTI)

    Stevens, R. Robert

    2002-01-01

    Demonstrating mesh convergence for a finite element analysis requires multiple meshes, but creating high quality meshes is a time-consuming task. Furthermore, estimates of the amount of error caused by mesh refinement are difficult to make for a sequence of unrelated, unstructured finite element meshes. A solution for both of these problems is to automatically generate a refined mesh by subdividing every element in the original mesh. The resulting refined mesh has a uniform 'mesh refinement ratio' (relative to the original mesh), so established mesh convergence error estimators, such as Roache's Grid Convergence Indicator (GCI), can be applied. This presentation will cover the process of automatically generating a refined mesh, and discuss the Grid Convergence Indicator (GCI) error metric. The GCI will be applied to two models subjected to transient loadings: a simple test problem and a high-fidelity model of an unclassified W76 component. The mesh convergence exhibited by the analysis code DYNA3D will be discussed.

  19. Electrochemical Lithium Ion Battery Performance Model

    Energy Science and Technology Software Center (OSTI)

    2007-03-29

    The Electrochemical Lithium Ion Battery Performance Model allows for the computer prediction of the basic thermal, electrical, and electrochemical performance of a lithium ion cell with simplified geometry. The model solves governing equations describing the movement of lithium ions within and between the negative and positive electrodes. The governing equations were first formulated by Fuller, Doyle, and Newman and published in J. Electrochemical Society in 1994. The present model solves the partial differential equations governingmore » charge transfer kinetics and charge, species, heat transports in a computationally-efficient manner using the finite volume method, with special consideration given for solving the model under conditions of applied current, voltage, power, and load resistance.« less

  20. Boltzmann-Electron Model in Aleph.

    SciTech Connect (OSTI)

    Hughes, Thomas Patrick; Hooper, Russell

    2014-11-01

    We apply the Boltzmann-electron model in the electrostatic, particle-in-cell, finite- element code Aleph to a plasma sheath. By assuming a Boltzmann energy distribution for the electrons, the model eliminates the need to resolve the electron plasma fre- quency, and avoids the numerical %22grid instability%22 that can cause unphysical heating of electrons. This allows much larger timesteps to be used than with kinetic electrons. Ions are treated with the standard PIC algorithm. The Boltzmann-electron model re- quires solution of a nonlinear Poisson equation, for which we use an iterative Newton solver (NOX) from the Trilinos Project. Results for the spatial variation of density and voltage in the plasma sheath agree well with an analytic model