Evaluation of Test Methods for Triaxially Braided Composites using a Meso-Scale Finite Element Model
Zhang, Chao
2015-10-01
The characterization of triaxially braided composite is complicate due to the nonuniformity of deformation within the unit cell as well as the possibility of the freeedge effect related to the large size of the unit cell. Extensive experimental investigation has been conducted to develop more accurate test approaches in characterizing the actual mechanical properties of the material we are studying. In this work, a meso-scale finite element model is utilized to simulate two complex specimens: notched tensile specimen and tube tensile specimen, which are designed to avoid the free-edge effect and free-edge effect induced premature edge damage. The full field strain data is predicted numerically and compared with experimental data obtained by Digit Image Correlation. The numerically predicted tensile strength values are compared with experimentally measured results. The discrepancy between numerically predicted and experimentally measured data, the capability of different test approaches are analyzed and discussed. The presented numerical model could serve as assistance to the evaluation of different test methods, and is especially useful in identifying potential local damage events.
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...
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...
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 ...
LDRD final report : mesoscale modeling of dynamic loading of heterogeneous
Office of Scientific and Technical Information (OSTI)
materials. (Technical Report) | SciTech Connect LDRD final report : mesoscale modeling of dynamic loading of heterogeneous materials. Citation Details In-Document Search Title: LDRD final report : mesoscale modeling of dynamic loading of heterogeneous materials. Material response to dynamic loading is often dominated by microstructure (grain structure, porosity, inclusions, defects). An example critically important to Sandia's mission is dynamic strength of polycrystalline metals where
Mesoscale Modeling Framework Design: Subcontract Report (Technical Report)
Office of Scientific and Technical Information (OSTI)
| SciTech Connect Mesoscale Modeling Framework Design: Subcontract Report Citation Details In-Document Search Title: Mesoscale Modeling Framework Design: Subcontract Report Authors: Chen, L Q ; Tang, M ; Heo, T W ; Wood, B C Publication Date: 2014-01-09 OSTI Identifier: 1116973 Report Number(s): LLNL-SR-648484 DOE Contract Number: W-7405-ENG-48 Resource Type: Technical Report Research Org: Lawrence Livermore National Laboratory (LLNL), Livermore, CA Sponsoring Org: USDOE Country of
Mesoscale Modeling of LX-17 Under Isentropic Compression
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.
Evaluation of Mesoscale Atmospheric Model for Contrail Cirrus Simulations |
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
Argonne Leadership Computing Facility of contrail-to-cirrus transition (INCITE 2012). Snapshot of potential temperature fluctuation in a turbulent atmosphere. The horizontal layers are due to atmospheric stratification. Flight altitude corresponds to Z=3000 m, the contrail extends vertically from Z=3000 to Z=25000 m. Evaluation of Mesoscale Atmospheric Model for Contrail Cirrus Simulations PI Name: Roberto Paoli PI Email: paoli@cerfacs.fr Institution: CERFACS Allocation Program: INCITE
Mesoscale modeling of metal-loaded high explosives
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.
Meso-scale modeling of irradiated concrete in test reactor
Giorla, Alain B.; Vaitová, M.; Le Pape, Yann; Štemberk, P.
2015-10-18
In this paper, we detail a numerical model accounting for the effects of neutron irradiation on concrete at the mesoscale. Irradiation experiments in test reactor (Elleuch et al.,1972), i.e., in accelerated conditions, are simulated. Concrete is considered as a two-phase material made of elastic inclusions (aggregate) subjected to thermal and irradiation-induced swelling and embedded in a cementitious matrix subjected to shrinkage and thermal expansion. The role of the hardened cement paste in the post-peak regime (brittle-ductile transition with decreasing loading rate), and creep effects are investigated. Radiation-induced volumetric expansion (RIVE) of the aggregate cause the development and propagation of damage around the aggregate which further develops in bridging cracks across the hardened cement paste between the individual aggregate particles. The development of damage is aggravated when shrinkage occurs simultaneously with RIVE during the irradiation experiment. The post-irradiation expansion derived from the simulation is well correlated with the experimental data and, the obtained damage levels are fully consistent with previous estimations based on a micromechanical interpretation of the experimental post-irradiation elastic properties (Le Pape et al.,2015). In conclusion, the proposed modeling opens new perspectives for the interpretation of test reactor experiments in regards to the actual operation of light water reactors.
Meso-scale modeling of irradiated concrete in test reactor
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Giorla, Alain B.; Vaitová, M.; Le Pape, Yann; Štemberk, P.
2015-10-18
In this paper, we detail a numerical model accounting for the effects of neutron irradiation on concrete at the mesoscale. Irradiation experiments in test reactor (Elleuch et al.,1972), i.e., in accelerated conditions, are simulated. Concrete is considered as a two-phase material made of elastic inclusions (aggregate) subjected to thermal and irradiation-induced swelling and embedded in a cementitious matrix subjected to shrinkage and thermal expansion. The role of the hardened cement paste in the post-peak regime (brittle-ductile transition with decreasing loading rate), and creep effects are investigated. Radiation-induced volumetric expansion (RIVE) of the aggregate cause the development and propagation of damagemore » around the aggregate which further develops in bridging cracks across the hardened cement paste between the individual aggregate particles. The development of damage is aggravated when shrinkage occurs simultaneously with RIVE during the irradiation experiment. The post-irradiation expansion derived from the simulation is well correlated with the experimental data and, the obtained damage levels are fully consistent with previous estimations based on a micromechanical interpretation of the experimental post-irradiation elastic properties (Le Pape et al.,2015). In conclusion, the proposed modeling opens new perspectives for the interpretation of test reactor experiments in regards to the actual operation of light water reactors.« less
A shallow convection parameterization for the non-hydrostatic MM5 mesoscale model
Seaman, N.L.; Kain, J.S.; Deng, A.
1996-04-01
A shallow convection parameterization suitable for the Pennsylvannia State University (PSU)/National Center for Atmospheric Research nonhydrostatic mesoscale model (MM5) is being developed at PSU. The parameterization is based on parcel perturbation theory developed in conjunction with a 1-D Mellor Yamada 1.5-order planetary boundary layer scheme and the Kain-Fritsch deep convection model.
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.
MESO-SCALE MODELING OF THE INFLUENCE OF INTERGRANULAR GAS BUBBLES ON EFFECTIVE THERMAL CONDUCTIVITY
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.
THE APPLICATION OF AN EVOLUTIONARY ALGORITHM TO THE OPTIMIZATION OF A MESOSCALE METEOROLOGICAL MODEL
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.
Finite element modeling of lightning
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.
Dynamic mesoscale model of dipolar fluids via fluctuating hydrodynamics
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.
Mesoscale to plant-scale models of nuclear waste reprocessing.
Noble, David Frederick; O'Hern, Timothy John; Moffat, Harry K.; Nemer, Martin B.; Domino, Stefan Paul; Rao, Rekha Ranjana; Cipiti, Benjamin B.; Brotherton, Christopher M.; Jove-Colon, Carlos F.; Pawlowski, Roger Patrick
2010-09-01
Imported oil exacerabates our trade deficit and funds anti-American regimes. Nuclear Energy (NE) is a demonstrated technology with high efficiency. NE's two biggest political detriments are possible accidents and nuclear waste disposal. For NE policy, proliferation is the biggest obstacle. Nuclear waste can be reduced through reprocessing, where fuel rods are separated into various streams, some of which can be reused in reactors. Current process developed in the 1950s is dirty and expensive, U/Pu separation is the most critical. Fuel rods are sheared and dissolved in acid to extract fissile material in a centrifugal contactor. Plants have many contacts in series with other separations. We have taken a science and simulation-based approach to develop a modern reprocessing plant. Models of reprocessing plants are needed to support nuclear materials accountancy, nonproliferation, plant design, and plant scale-up.
Evaluation of the Mesoscale Eta Model over the western United States. Master`s thesis
Swanson, R.T.
1995-09-10
The skill of the Mesoscale Eta Model is evaluated over a 6-month period from October 1, 1994 to March 31, 1995 over the western United States. This model will continue to undergo changes until and after its projected operational release in July 1995. Many diagnostics and error statistics are created to evaluate its performance as forecasts are received and archived at the University of Utah. These statistics are available on the Internet allowing researchers and operational forecasters access to them in near real-time. The Mesoscale Eta Model forecast initialized at 1200 UTC, 9 November 1994 is used as a case study to introduce many of the diagnostics developed to evaluate the model. A systematic evaluation of the average and root-mean-squared error over months and seasons reveals little significant bias in upper tropospheric fields such as 300 mb wind or 500 mb geopotential height. Moderate average errors are evident in lower tropospheric temperature. Accumulated precipitation over months and seasons indicates the model`s spinup of precipitation during the first 12 hours of the forecast cycle.
Chiral random matrix model at finite chemical potential: Characteristi...
Office of Scientific and Technical Information (OSTI)
Chiral random matrix model at finite chemical potential: Characteristic determinant and edge universality Prev Next Title: Chiral random matrix model at finite chemical ...
A creep-damage model for mesoscale simulations of concrete expansion-degradation phenomena
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.
LDRD final report : mesoscale modeling of dynamic loading of heterogeneous materials.
Robbins, Joshua; Dingreville, Remi Philippe Michel; Voth, Thomas Eugene; Furnish, Michael David
2013-12-01
Material response to dynamic loading is often dominated by microstructure (grain structure, porosity, inclusions, defects). An example critically important to Sandia's mission is dynamic strength of polycrystalline metals where heterogeneities lead to localization of deformation and loss of shear strength. Microstructural effects are of broad importance to the scientific community and several institutions within DoD and DOE; however, current models rely on inaccurate assumptions about mechanisms at the sub-continuum or mesoscale. Consequently, there is a critical need for accurate and robust methods for modeling heterogeneous material response at this lower length scale. This report summarizes work performed as part of an LDRD effort (FY11 to FY13; project number 151364) to meet these needs.
Light front NJL model at finite temperature
Strauss, S.; Beyer, M.; Mattiello, S.
2005-06-14
We investigate the properties of qq and qq-bar states in hot and dense quark matter in the framework of light-front finite temperature field theory. Presently we consider the Nambu Jona-Lasinio (NJL) model and derive the gap equation at finite temperature and density. We study pionic and scalar diquark dynamics in quark matter and compute the two-body masses and the Mott dissociation using a t-matrix approach. For the scalar diquark we determine the critical temperature of color superconductivity.
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)
Welland, Michael J.; Lau, Kah Chun; Redfern, Paul C.; Wolf, Dieter; Curtiss, Larry A.; Liang, Linyun; Zhai, Denyun
2015-12-14
An atomistically informed mesoscale model is developed for the deposition of a discharge product in a Li-O{sub 2} battery. This mescocale model includes particle growth and coarsening as well as a simplified nucleation model. The model involves LiO{sub 2} formation through reaction of O{sub 2}{sup −} and Li{sup +} in the electrolyte, which deposits on the cathode surface when the LiO{sub 2} concentration reaches supersaturation in the electrolyte. A reaction-diffusion (rate-equation) model is used to describe the processes occurring in the electrolyte and a phase-field model is used to capture microstructural evolution. This model predicts that coarsening, in which large particles grow and small ones disappear, has a substantial effect on the size distribution of the LiO{sub 2} particles during the discharge process. The size evolution during discharge is the result of the interplay between this coarsening process and particle growth. The growth through continued deposition of LiO{sub 2} has the effect of causing large particles to grow ever faster while delaying the dissolution of small particles. The predicted size evolution is consistent with experimental results for a previously reported cathode material based on activated carbon during discharge and when it is at rest, although kinetic factors need to be included. The approach described in this paper synergistically combines models on different length scales with experimental observations and should have applications in studying other related discharge processes, such as Li{sub 2}O{sub 2} deposition, in Li-O{sub 2} batteries and nucleation and growth in Li-S batteries.
Seaman, N.L.; Guo, Z.; Ackerman, T.P.
1996-04-01
Predictions of cloud occurrence and vertical location from the Pennsylvannia State University/National Center for Atmospheric Research nonhydrostatic mesoscale model (MM5) were evaluated statistically using cloud observations obtained at Coffeyville, Kansas, as part of the Second International satellite Cloud Climatology Project Regional Experiment campaign. Seventeen cases were selected for simulation during a November-December 1991 field study. MM5 was used to produce two sets of 36-km simulations, one with and one without four-dimensional data assimilation (FDDA), and a set of 12-km simulations without FDDA, but nested within the 36-km FDDA runs.
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.
Finite element model for heat conduction in jointed rock masses
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.
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
Dudhia, J.; Guo, Y.R.
1996-04-01
A goal of the Atmospheric Radiation Measurement (ARM) Program has been to obtain a complete representation of physical processes on the scale of a general circulation model (GCM) grid box in order to better parameterize radiative processes in these models. Since an observational network of practical size cannot be used alone to characterize the Cloud and Radiation Testbed (CART) site`s 3D structure and time development, data assimilation using the enhanced observations together with a mesoscale model is used to give a full 4D analysis at high resolution. The National Center for Atmospheric Research (NCAR)/Penn State Mesoscale Model (MM5) has been applied over a ten-day continuous period in a triple-nested mode with grid sizes of 60, 20 and 6.67 in. The outer domain covers the United States` 48 contiguous states; the innermost is a 480-km square centered on Lamont, Oklahoma. A simulation has been run with data assimilation using the Mesoscale Analysis and Prediction System (MAPS) 60-km analyses from the Forecast Systems Laboratory (FSL) of the National Ocean and Atmospheric Administration (NOAA). The nested domains take boundary conditions from and feed back continually to their parent meshes (i.e., they are two-way interactive). As reported last year, this provided a simulation of the basic features of mesoscale events over the CART site during the period 16-26 June 1993 when an Intensive Observation Period (IOP) was under way.
Experimentally validated finite element model of electrocaloric multilayer ceramic structures
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.
Modal Substructuring of Geometrically Nonlinear Finite-Element Models
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Kuether, Robert J.; Allen, Matthew S.; Hollkamp, Joseph J.
2016-02-01
The efficiency of a modal substructuring method depends on the component modes used to reduce each subcomponent model. Methods such as Craig–Bampton have been used extensively to reduce linear finite-element models with thousands or even millions of degrees of freedom down orders of magnitude while maintaining acceptable accuracy. A novel reduction method is proposed here for geometrically nonlinear finite-element models using the fixed-interface and constraint modes of the linearized system to reduce each subcomponent model. The geometric nonlinearity requires an additional cubic and quadratic polynomial function in the modal equations, and the nonlinear stiffness coefficients are determined by applying amore » series of static loads and using the finite-element code to compute the response. The geometrically nonlinear, reduced modal equations for each subcomponent are then coupled by satisfying compatibility and force equilibrium. This modal substructuring approach is an extension of the Craig–Bampton method and is readily applied to geometrically nonlinear models built directly within commercial finite-element packages. The efficiency of this new approach is demonstrated on two example problems: one that couples two geometrically nonlinear beams at a shared rotational degree of freedom, and another that couples an axial spring element to the axial degree of freedom of a geometrically nonlinear beam. The nonlinear normal modes of the assembled models are compared with those of a truth model to assess the accuracy of the novel modal substructuring approach.« less
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 (CH_{4}) is the primary component of natural gas and has a larger global warming potential than CO_{2}. Some recent top-down studies based on observations showed CH_{4} 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 CH_{4 }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 CH_{4} 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, R^{2} = 0.5). The emission estimates for CH_{4} in the posterior, 46.3 9.2 Mg CH_{4}/h, are consistent with published observation-based estimates. Changes in the spatial distribution of CH_{4} 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 CH_{4}/h and the two sectors of oil and gas industries (production and downstream) and landfills together contributed 39.6 8.1 Mg CH_{4}/h in the SoCAB.
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 (CH_{4}) is the primary component of natural gas and has a larger global warming potential than CO_{2}. Some recent top-down studies based on observations showed CH_{4} 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 CH_{4 }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 CH_{4} 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, R^{2} = 0.5). The emission estimates for CH_{4} in the posterior, 46.3 ± 9.2 Mg CH_{4}/h, are consistent with published observation-based estimates. Changes in the spatial distribution of CH_{4} 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 CH_{4}/h and the two sectors of oil and gas industries (production and downstream) and landfills together contributed 39.6 ± 8.1 Mg CH_{4}/h in the SoCAB.
A Coupling Methodology for Mesoscale-informed Nuclear Fuel Performance Codes
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.
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:...
Mesoscale Simulations of Coarsening in GB Networks
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
Mukul Kumar is the Principal Investigator for Mesoscale Simulations of Coarsening in GB Networks LLNL BES Programs Highlight Mesoscale Simulations of Coarsening in GB Networks The Phase Field Model evolves a grain boundary network with realistic network correlations, as seeded by a group-theory-based Monte Carlo model M. Tang, B. W. Reed, and M. Kumar, J. Appl. Phys. 112, 043505 (2012) V. Bulatov, B. W. Reed, and M. Kumar; "Grain boundary energy function for FCC metals," Physical
Insider Models with Finite Utility in Markets with Jumps
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.
Modeling Hot-Spot Contributions in Shocked High Explosives at the Mesoscale
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.
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.
THE SIMULATION OF FINE SCALE NOCTURNAL BOUNDARY LAYER MOTIONS WITH A MESO-SCALE ATMOSPHERIC MODEL
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.
Finite driving rate and anisotropy effects in landslide modeling
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.
Lipid-Based Nanodiscs as Models for Studying Mesoscale Coalescence A Transport Limited Case
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.
Progress in Developing Finite Element Models Replicating Flexural Graphite Testing
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.
A Finite Element Model for Simulation of Carbon Dioxide Sequestration
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.
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.
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.
Surface photovoltage measurements and finite element modeling of SAW devices.
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.
Optically Directed Assembly of Continuous Mesoscale Filaments...
Office of Scientific and Technical Information (OSTI)
Publisher's Accepted Manuscript: Optically Directed Assembly of Continuous Mesoscale Filaments Title: Optically Directed Assembly of Continuous Mesoscale Filaments Authors: Bahns, ...
Finite-difference modeling of commercial aircraft using TSAR
Pennock, S.T.; Poggio, A.J.
1994-11-15
Future aircraft may have systems controlled by fiber optic cables, to reduce susceptibility to electromagnetic interference. However, the digital systems associated with the fiber optic network could still experience upset due to powerful radio stations, radars, and other electromagnetic sources, with potentially serious consequences. We are modeling the electromagnetic behavior of commercial transport aircraft in support of the NASA Fly-by-Light/Power-by-Wire program, using the TSAR finite-difference time-domain code initially developed for the military. By comparing results obtained from TSAR with data taken on a Boeing 757 at the Air Force Phillips Lab., we hope to show that FDTD codes can serve as an important tool in the design and certification of U.S. commercial aircraft, helping American companies to produce safe, reliable air transportation.
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.
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.
Mesoscale hybrid calibration artifact
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.
MESOSCALE SIMULATIONS OF POWDER COMPACTION
Lomov, Ilya; Fujino, Don; Antoun, Tarabay; Liu, Benjamin
2009-12-28
Mesoscale 3D simulations of shock compaction of metal and ceramic powders have been performed with an Eulerian hydrocode GEODYN. The approach was validated by simulating a well-characterized shock compaction experiment of a porous ductile metal. Simulation results using the Steinberg material model and handbook values for solid 2024 aluminum showed good agreement with experimental compaction curves and wave profiles. Brittle ceramic materials are not as well studied as metals, so a simple material model for solid ceramic (tungsten carbide) has been calibrated to match experimental compaction curves. Direct simulations of gas gun experiments with ceramic powders have been performed and showed good agreement with experimental data. The numerical shock wave profile has same character and thickness as that measured experimentally using VISAR. The numerical results show reshock states above the single-shock Hugoniot line as observed in experiments. We found that for good quantitative agreement with experiments 3D simulations are essential.
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
Mesoscale magnetism (Journal Article) | DOE PAGES
Office of Scientific and Technical Information (OSTI)
Mesoscale magnetism This content will become publicly available on March 16, 2017 Prev Next Title: Mesoscale magnetism Authors: Hoffmann, Axel ; Schulthei, Helmut ...
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: ...
Poster Sessions J. Dudhia Mesoscale and Microscale Meteorology Division
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
J. Dudhia Mesoscale and Microscale Meteorology Division National Center for Atmospheric Research Boulder, CO 80307-3000 Introduction The concept of an Integrated Data Assimilation and Sounding System (IDASS) ensures that the needs of data collection are partly determined by the requirements of an assimilating mesoscale model. Hence, the sounding strategy is geared towards allowing the model to do the best possible job in representing the atmosphere over CART sites, for example. It is not clear a
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.
Time-dependent finite-element models of phase-change problems with moving heat sources
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.
A phase field - Finite element approach to model the interaction between
Office of Scientific and Technical Information (OSTI)
phase transformations and plasticity in shape memory alloys (Journal Article) | SciTech Connect phase field - Finite element approach to model the interaction between phase transformations and plasticity in shape memory alloys Citation Details In-Document Search This content will become publicly available on March 22, 2018 Title: A phase field - Finite element approach to model the interaction between phase transformations and plasticity in shape memory alloys Authors: Paranjape, Harshad M.
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
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Elliott, Elizabeth J.; Yu, Sungduk; Kooperman, Gabriel J.; Morrison, Hugh; Wang, Minghuai; Pritchard, Michael S.
2016-05-01
The sensitivities of simulated mesoscale convective systems (MCSs) in the central U.S. to microphysics and grid configuration are evaluated here in a global climate model (GCM) that also permits global-scale feedbacks and variability. Since conventional GCMs do not simulate MCSs, studying their sensitivities in a global framework useful for climate change simulations has not previously been possible. To date, MCS sensitivity experiments have relied on controlled cloud resolving model (CRM) studies with limited domains, which avoid internal variability and neglect feedbacks between local convection and larger-scale dynamics. However, recent work with superparameterized (SP) GCMs has shown that eastward propagating MCS-likemore » events are captured when embedded CRMs replace convective parameterizations. This study uses a SP version of the Community Atmosphere Model version 5 (SP-CAM5) to evaluate MCS sensitivities, applying an objective empirical orthogonal function algorithm to identify MCS-like events, and harmonizing composite storms to account for seasonal and spatial heterogeneity. A five-summer control simulation is used to assess the magnitude of internal and interannual variability relative to 10 sensitivity experiments with varied CRM parameters, including ice fall speed, one-moment and two-moment microphysics, and grid spacing. MCS sensitivities were found to be subtle with respect to internal variability, and indicate that ensembles of over 100 storms may be necessary to detect robust differences in SP-GCMs. Furthermore, these results emphasize that the properties of MCSs can vary widely across individual events, and improving their representation in global simulations with significant internal variability may require comparison to long (multidecadal) time series of observed events rather than single season field campaigns.« less
Mesoscale Simulations of Power Compaction
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.
A Finite-Element Model for Simulation of Carbon Dioxide Sequestration
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.
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
Alfven-wave particle interaction in finite-dimensional self-consistent field model
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.
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
Acoustic Characterization of Mesoscale Objects
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.
Meson properties in a nonlocal SU(3) chiral quark model at finite temperature
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.
Quark matter and meson properties in a Nonlocal SU(3) chiral quark model at finite temperature
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.
The finite and large-N behaviors of independent-value matrix models
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.
GAP Flow Measurements During the Mesoscale Alpine Programme
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.
Review of structure representation and reconstruction on mesoscale and microscale
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.
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
2D numerical simulation of the MEP energy-transport model with a finite difference scheme
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.
A phenomenological finite element model of part building in the stereolithography process
Chambers, R.S.; Guess, T.R.; Hinnerichs, T.D.
1995-03-01
The finite element method has been used to develop the framework for a tool that can be used to model the structural deformation arising from the stereolithography build process. Such a tool when fully developed can facilitate numerical studies aimed at evaluating build parameters and build styles. Although the current software makes no attempt to capture all the physics of the process, provisions for three important build features have been made: (1) laser path history including scanning rate and depth of cure, (2) structural linkage, and (3) time varying material behavior. For demonstration purposes, a three dimensional finite element code was modified to include a phenomenological material model of solidification. The model was based on cure shrinkage and stress relaxation data collected from in-situ tests on individual strands drawn using 3D Systems` stereolithography apparatus (SLA-250). To depict the directed path of solidification within layers, a finite element birthing scheme was conceived to activate elements along the predetermined coordinate path of the laser. Structural linkage was enforced by joining element strands of layers when laser paths connect or overlap, respectively. A limited number of analyses have been performed to contrast simple build styles.
An enriched finite element model with q-refinement for radiative boundary layers in glass cooling
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.
Relativistic, model-independent, multichannel 2→2 transition amplitudes in a finite volume
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Briceno, Raul A.; Hansen, Maxwell T.
2016-07-13
We derive formalism for determining 2 + J → 2 infinite-volume transition amplitudes from finite-volume matrix elements. Specifically, we present a relativistic, model-independent relation between finite-volume matrix elements of external currents and the physically observable infinite-volume matrix elements involving two-particle asymptotic states. The result presented holds for states composed of two scalar bosons. These can be identical or non-identical and, in the latter case, can be either degenerate or non-degenerate. We further accommodate any number of strongly-coupled two-scalar channels. This formalism will, for example, allow future lattice QCD calculations of themore » $$\\rho$$-meson form factor, in which the unstable nature of the $$\\rho$$ is rigorously accommodated. In conclusion, we also discuss how this work will impact future extractions of nuclear parity and hadronic long-range matrix elements from lattice QCD.« less
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...
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.
Efficient Computation of Info-Gap Robustness for Finite Element Models
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.
Finite temperature spin-dynamics and phase transitions in spin-orbital models
Chen, C.-C.
2010-04-29
We study finite temperature properties of a generic spin-orbital model relevant to transition metal compounds, having coupled quantum Heisenberg-spin and Ising-orbital degrees of freedom. The model system undergoes a phase transition, consistent with that of a 2D Ising model, to an orbitally ordered state at a temperature set by short-range magnetic order. At low temperatures the orbital degrees of freedom freeze-out and the model maps onto a quantum Heisenberg model. The onset of orbital excitations causes a rapid scrambling of the spin spectral weight away from coherent spin-waves, which leads to a sharp increase in uniform magnetic susceptibility just below the phase transition, reminiscent of the observed behavior in the Fe-pnictide materials.
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).
Quanta to the Continuum: Opportunities for Mesoscale Science...
Office of Scientific and Technical Information (OSTI)
Conference: Quanta to the Continuum: Opportunities for Mesoscale Science Citation Details In-Document Search Title: Quanta to the Continuum: Opportunities for Mesoscale Science No ...
In the OSTI Collections: Mesoscale Science | OSTI, US Dept of...
Office of Scientific and Technical Information (OSTI)
Mesoscale Science Article Acknowledgement: Dr. William N. Watson, Physicist DOE Office of ... Experiments and Tools Mesoscale science for defense Apparent requirements for ...
DOE Science Showcase - Mesoscale | OSTI, US Dept of Energy Office...
Office of Scientific and Technical Information (OSTI)
Mesoscale science entails the observation, understanding, and control of these ... FOR MESOSCALE SCIENCE, A Report from the Basic Energy Sciences Advisory Committee. ...
From Quanta to the Continuum: Opportunities for Mesoscale Science...
Office of Scientific and Technical Information (OSTI)
Opportunities for Mesoscale Science Citation Details In-Document Search Title: From Quanta to the Continuum: Opportunities for Mesoscale Science This report explores the ...
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.
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.
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.
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.
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
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
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.
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.
Explicit simulation of a midlatitude Mesoscale Convective System
Alexander, G.D.; Cotton, W.R.
1996-04-01
We have explicitly simulated the mesoscale convective system (MCS) observed on 23-24 June 1985 during PRE-STORM, the Preliminary Regional Experiment for the Stormscale Operational and Research and Meterology Program. Stensrud and Maddox (1988), Johnson and Bartels (1992), and Bernstein and Johnson (1994) are among the researchers who have investigated various aspects of this MCS event. We have performed this MCS simulation (and a similar one of a tropical MCS; Alexander and Cotton 1994) in the spirit of the Global Energy and Water Cycle Experiment Cloud Systems Study (GCSS), in which cloud-resolving models are used to assist in the formulation and testing of cloud parameterization schemes for larger-scale models. In this paper, we describe (1) the nature of our 23-24 June MCS dimulation and (2) our efforts to date in using our explicit MCS simulations to assist in the development of a GCM parameterization for mesoscale flow branches. The paper is organized as follows. First, we discuss the synoptic situation surrounding the 23-24 June PRE-STORM MCS followed by a discussion of the model setup and results of our simulation. We then discuss the use of our MCS simulation. We then discuss the use of our MCS simulations in developing a GCM parameterization for mesoscale flow branches and summarize our results.
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
Assessment of MARMOT. A Mesoscale Fuel Performance Code
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.
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.
Electrical and thermal finite element modeling of arc faults in photovoltaic bypass diodes.
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.
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.
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.
MODELING OF HIGH SPEED FRICTION STIR SPOT WELDING USING A LAGRANGIAN FINITE ELEMENT APPROACH
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.
A high-order staggered finite-element vertical discretization for non-hydrostatic atmospheric models
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Guerra, Jorge E.; Ullrich, Paul A.
2016-06-01
Atmospheric modeling systems require economical methods to solve the non-hydrostatic Euler equations. Two major differences between hydrostatic models and a full non-hydrostatic description lies in the vertical velocity tendency and numerical stiffness associated with sound waves. In this work we introduce a new arbitrary-order vertical discretization entitled the staggered nodal finite-element method (SNFEM). Our method uses a generalized discrete derivative that consistently combines the discontinuous Galerkin and spectral element methods on a staggered grid. Our combined method leverages the accurate wave propagation and conservation properties of spectral elements with staggered methods that eliminate stationary (2Δx) modes. Furthermore, high-order accuracy alsomore » eliminates the need for a reference state to maintain hydrostatic balance. In this work we demonstrate the use of high vertical order as a means of improving simulation quality at relatively coarse resolution. We choose a test case suite that spans the range of atmospheric flows from predominantly hydrostatic to nonlinear in the large-eddy regime. Lastly, our results show that there is a distinct benefit in using the high-order vertical coordinate at low resolutions with the same robust properties as the low-order alternative.« less
A high-order staggered finite-element vertical discretization for non-hydrostatic atmospheric models
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Guerra, Jorge E.; Ullrich, Paul A.
2016-06-01
Atmospheric modeling systems require economical methods to solve the non-hydrostatic Euler equations. Two major differences between hydrostatic models and a full non-hydrostatic description lies in the vertical velocity tendency and numerical stiffness associated with sound waves. In this work we introduce a new arbitrary-order vertical discretization entitled the staggered nodal finite-element method (SNFEM). Our method uses a generalized discrete derivative that consistently combines the discontinuous Galerkin and spectral element methods on a staggered grid. Our combined method leverages the accurate wave propagation and conservation properties of spectral elements with staggered methods that eliminate stationary (2Δx) modes. Furthermore, high-order accuracy alsomore » eliminates the need for a reference state to maintain hydrostatic balance. In this work we demonstrate the use of high vertical order as a means of improving simulation quality at relatively coarse resolution. We choose a test case suite that spans the range of atmospheric flows from predominantly hydrostatic to nonlinear in the large-eddy regime. Our results show that there is a distinct benefit in using the high-order vertical coordinate at low resolutions with the same robust properties as the low-order alternative.« less
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
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.
Banerjee, Debasish; Chandrasekharan, Shailesh
2010-06-15
In the presence of a chemical potential, the physics of level crossings leads to singularities at zero temperature, even when the spatial volume is finite. These singularities are smoothed out at a finite temperature but leave behind nontrivial finite size effects which must be understood in order to extract thermodynamic quantities using Monte Carlo methods, particularly close to critical points. We illustrate some of these issues using the classical nonlinear O(2) sigma model with a coupling {beta} and chemical potential {mu} on a 2+1-dimensional Euclidean lattice. In the conventional formulation this model suffers from a sign problem at nonzero chemical potential and hence cannot be studied with the Wolff cluster algorithm. However, when formulated in terms of the worldline of particles, the sign problem is absent, and the model can be studied efficiently with the 'worm algorithm'. Using this method we study the finite size effects that arise due to the chemical potential and develop an effective quantum mechanical approach to capture the effects. As a side result we obtain energy levels of up to four particles as a function of the box size and uncover a part of the phase diagram in the ({beta},{mu}) plane.
Mesoscale morphologies in polymer thin films.
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.
Zhong, S.; Fast, J.D.; Bian, X.; Stage, S.
1996-04-01
The Great Plains low-level jet (LLJ) has important effects on the life cycle of clouds and on radiative and surface heat and moisture fluxes at the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) Cloud and Radiation Testbed (CART) site. This diurnal phenomenon governs the transport and convergence of low-level moisture into the region and often leads to the development of clouds and precipitation. A full understanding of the life cycle of clouds at the SGP CART site and their proper representation in single column and global climate models cannot be obtained without an improved understanding of this important phenomenon.
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.
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.
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.
A two-dimensional, finite-difference model of the oxidation of a uranium carbide fuel pellet
Shepherd, James; Fairweather, Michael; Hanson, Bruce C.; Heggs, Peter J.
2015-12-31
The oxidation of spent uranium carbide fuel, a candidate fuel for Generation IV nuclear reactors, is an important process in its potential reprocessing cycle. However, the oxidation of uranium carbide in air is highly exothermic. A model has therefore been developed to predict the temperature rise, as well as other useful information such as reaction completion times, under different reaction conditions in order to help in deriving safe oxidation conditions. Finite difference-methods are used to model the heat and mass transfer processes occurring during the reaction in two dimensions and are coupled to kinetics found in the literature.
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.
Generating meshes for finite-difference analysis using a solid modeler
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.
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
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),...
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 ...
Mesoscale Modeling Framework Design: Subcontract Report (Technical...
Office of Scientific and Technical Information (OSTI)
Close Cite: Bibtex Format Close 0 pages in this document matching the terms "" Search For Terms: Enter terms in the toolbar above to search the full text of this document for ...
A mesoscale analysis of the Rayleigh-Plateau instability.
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.
Moist multi-scale models for the hurricane embryo
Majda, Andrew J.; Xing, Yulong; Mohammadian, Majid
2010-01-01
Determining the finite-amplitude preconditioned states in the hurricane embryo, which lead to tropical cyclogenesis, is a central issue in contemporary meteorology. In the embryo there is competition between different preconditioning mechanisms involving hydrodynamics and moist thermodynamics, which can lead to cyclogenesis. Here systematic asymptotic methods from applied mathematics are utilized to develop new simplified moist multi-scale models starting from the moist anelastic equations. Three interesting multi-scale models emerge in the analysis. The balanced mesoscale vortex (BMV) dynamics and the microscale balanced hot tower (BHT) dynamics involve simplified balanced equations without gravity waves for vertical vorticity amplification due to moist heat sources and incorporate nonlinear advective fluxes across scales. The BMV model is the central one for tropical cyclogenesis in the embryo. The moist mesoscale wave (MMW) dynamics involves simplified equations for mesoscale moisture fluctuations, as well as linear hydrostatic waves driven by heat sources from moisture and eddy flux divergences. A simplified cloud physics model for deep convection is introduced here and used to study moist axisymmetric plumes in the BHT model. A simple application in periodic geometry involving the effects of mesoscale vertical shear and moist microscale hot towers on vortex amplification is developed here to illustrate features of the coupled multi-scale models. These results illustrate the use of these models in isolating key mechanisms in the embryo in a simplified content.
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...
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....
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...
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;...
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. ...
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 ...
Mesoscale polycrystal calculations of damage in spallation in metals
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.
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.
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.
Generation of mesoscale convective structures in tokamak edge plasma
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.
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.
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
Mostafa, Salwa; Lavrik, Nickolay V; Bannuru, Thirumalesh; Rajic, Slobodan; Islam, Syed K; Datskos, Panos G; Hunter, Scott Robert
2011-01-01
A self resonating bimorph cantilever structure for fast temperature cycling in a pyroelectric energy harvester has been modeled using a finite element method. The effect of constituting material properties and system parameters on the frequency and magnitude of temperature cycling and the efficiency of energy recycling using the proposed structure has been investigated. Results show that thermal contact conductance and heat source temperature play a key role in dominating the cycling frequency and efficiency of energy recycling. An optimal solution for the most efficient energy scavenging process has been sought by studying the performance trend with different variable parameters such as thermal contact conductance, heat source temperature, device aspect ratio and constituent materials of varying thermal conductivity and expansion coefficients.
Modeling Slag Penetration and Refractory Degradation Using the Finite Element Method
Johnson, Kenneth I.; Williford, Ralph E.; Matyas, Josef; Pilli, Siva Prasad; Sundaram, S. K.; Korolev, Vladimir N.
2008-09-01
Refractory degradation due to slag penetration can significantly reduce the service life of gasifier refractory linings. This paper describes a modeling approach that was developed to predict refractory spalling as a function of operating temperature, coal feedstock and refractory type. The model simulates the coupled thermal, diffusion, and mechanical interactions of coal slag with refractory ceramics. The heat transfer and slag diffusion solutions are directly coupled through a temperature-dependent effective diffusivity for slag penetration. The effective diffusivity is defined from slag penetration tests conducted in our laboratories on specific coal slag and refractory combinations. Chemically-induced swelling of the refractory and the build-up of mechanical stresses are functions of the slag penetration. The model results are compared with analytical spalling models and validated by experimental data in order to develop an efficient refractory degradation model for implementation in a systems level gasifier model. The ultimate goal of our research is to provide a tool that will help optimize gasifier performance by balancing conversion efficiency with refractory life.
Mesoscale Engineering of Nanocomposite Nonlinear Optical Materials
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.
In the OSTI Collections: Mesoscale Science | OSTI, US Dept of Energy Office
Office of Scientific and Technical Information (OSTI)
of Scientific and Technical Information Mesoscale Science Article Acknowledgement: Dr. William N. Watson, Physicist DOE Office of Scientific and Technical Information The mesoscale's significance Understanding deformation and flow at the mesoscale Experiments and Tools Mesoscale science for defense Apparent requirements for progress References Research Organizations Reports available through OSTI's SciTech Connect Patent available through OSTI's DOepatents Conferences Journals Additional
From Quanta to the Continuum: Opportunities for Mesoscale Science
Crabtree, George; Sarrao, John; Alivisatos, Paul; Barletta, William; Bates, Frank; Brown, Gordon; French, Roger; Greene, Laura; Hemminger, John; Kastner, Marc; Kay, Bruce; Lewis, Jennifer; Ratner, Mark; Anthony, Rollett; Rubloff, Gary; Spence, John; Tobias, Douglas; Tranquada, John
2012-09-01
This report explores the opportunity and defines the research agenda for mesoscale science—discovering, understanding, and controlling interactions among disparate systems and phenomena to reach the full potential of materials complexity and functionality. The ability to predict and control mesoscale phenomena and architectures is essential if atomic and molecular knowledge is to blossom into a next generation of technology opportunities, societal benefits, and scientific advances.. The body of this report outlines the need, the opportunities, the challenges, and the benefits of mastering mesoscale science.
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
Finite element modeling of magnetic compression using coupled electromagnetic-structural codes
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.
Phase Effects on Mesoscale Object X-ray Absorption Images
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.
Integrated Mesoscale Architectures for Sustainable Catalysis (IMASC) | U.S.
Office of Science (SC) Website
DOE Office of Science (SC) Integrated Mesoscale Architectures for Sustainable Catalysis (IMASC) Energy Frontier Research Centers (EFRCs) EFRCs Home Centers EFRC External Websites Research Science Highlights News & Events Publications History Contact BES Home Centers Integrated Mesoscale Architectures for Sustainable Catalysis (IMASC) Print Text Size: A A A FeedbackShare Page IMASC Header Director Cynthia Friend Lead Institution Harvard University Year Established 2014 Mission To drive
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
Optically Directed Assembly of Continuous Mesoscale Filaments (Journal
Office of Scientific and Technical Information (OSTI)
Article) | SciTech Connect Journal Article: Optically Directed Assembly of Continuous Mesoscale Filaments Citation Details In-Document Search Title: Optically Directed Assembly of Continuous Mesoscale Filaments Authors: Bahns, J. T. ; Sankaranarayanan, S. K. R. S. ; Gray, S. K. ; Chen, L. Publication Date: 2011-02-28 OSTI Identifier: 1099937 Type: Publisher's Accepted Manuscript Journal Name: Physical Review Letters Additional Journal Information: Journal Volume: 106; Journal Issue: 9;
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.
Mesoscale and Large-Eddy Simulations for Wind Energy
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.
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.
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
Limitations of one-dimensional mesoscale PBL parameterizations in reproducing mountain-wave flows
Munoz-Esparza, Domingo; Sauer, Jeremy A.; Linn, Rodman R.; Kosovic, Branko
2015-12-08
In this study, mesoscale models are considered to be the state of the art in modeling mountain-wave flows. Herein, we investigate the role and accuracy of planetary boundary layer (PBL) parameterizations in handling the interaction between large-scale mountain waves and the atmospheric boundary layer. To that end, we use recent large-eddy simulation (LES) results of mountain waves over a symmetric two-dimensional bell-shaped hill [Sauer et al., J. Atmos. Sci. (2015)], and compare them to four commonly used PBL schemes. We find that one-dimensional PBL parameterizations produce reasonable agreement with the LES results in terms of vertical wavelength, amplitude of velocity and turbulent kinetic energy distribution in the downhill shooting flow region. However, the assumption of horizontal homogeneity in PBL parameterizations does not hold in the context of these complex flow configurations. This inappropriate modeling assumption results in a vertical wavelength shift producing errors of ≈ 10 m s–1 at downstream locations due to the presence of a coherent trapped lee wave that does not mix with the atmospheric boundary layer. In contrast, horizontally-integrated momentum flux derived from these PBL schemes displays a realistic pattern. Therefore results from mesoscale models using ensembles of one-dimensional PBL schemes can still potentially be used to parameterize drag effects in general circulation models. Nonetheless, three-dimensional PBL schemes must be developed in order for mesoscale models to accurately represent complex-terrain and other types of flows where one-dimensional PBL assumptions are violated.
Nesting large-eddy simulations within mesoscale simulations for wind energy applications
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.
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.
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,...
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...
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, ...
Quanta to the Continuum: Opportunities for Mesoscale Science (Conference) |
Office of Scientific and Technical Information (OSTI)
SciTech Connect Conference: Quanta to the Continuum: Opportunities for Mesoscale Science Citation Details In-Document Search Title: Quanta to the Continuum: Opportunities for Mesoscale Science No abstract prepared. Authors: Sarrao, John L [1] ; Crabtree, George [2] + Show Author Affiliations Los Alamos National Laboratory Argonne National Laboratory Publication Date: 2012-09-06 OSTI Identifier: 1050503 Report Number(s): LA-UR-12-24565 TRN: US201218%%1487 DOE Contract Number: AC52-06NA25396
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.
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.
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.
Koteras, J.R.
1993-07-01
Tunnels buried deep within the earth constitute an important class geomechanics problems. Two numerical techniques used for the analysis of geomechanics problems, the finite element method and the boundary element method, have complementary characteristics for applications to problems of this type. The usefulness of combining these two methods for use as a geomechanics analysis tool has been recognized for some time, and a number of coupling techniques have been proposed. However, not all of them lend themselves to efficient computational implementations for large-scale problems. This report examines a coupling technique that can form the basis for an efficient analysis tool for large scale geomechanics problems through the use of an iterative equation solver.
Crossing the mesoscale no-mans land via parallel kinetic Monte Carlo.
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.
Thermodynamic properties of mesoscale convective systems observed during BAMEX
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.
Quantum fluctuations and saturable absorption in mesoscale lasers
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.
Validation of Finite-Element Models of Persistent-Current Effects in Nb_{3}Sn Accelerator Magnets
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 Nb_{3}Sn 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.
Mesoscale simulation of shocked poly-(4-methyl-1-pentene) (PMP) foams.
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.
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].
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}.
Deterministic, Nanoscale Fabrication of Mesoscale Objects
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
Martínez-Mesa, Aliezer; Saalfrank, Peter
2015-05-21
Femtosecond-laser pulse driven non-adiabatic spectroscopy and dynamics in molecular and condensed phase systems continue to be a challenge for theoretical modelling. One of the main obstacles is the “curse of dimensionality” encountered in non-adiabatic, exact wavepacket propagation. A possible route towards treating complex molecular systems is via semiclassical surface-hopping schemes, in particular if they account not only for non-adiabatic post-excitation dynamics but also for the initial optical excitation. One such approach, based on initial condition filtering, will be put forward in what follows. As a simple test case which can be compared with exact wavepacket dynamics, we investigate the influence of the different parameters determining the shape of a laser pulse (e.g., its finite width and a possible chirp) on the predissociation dynamics of a NaI molecule, upon photoexcitation of the A(0{sup +}) state. The finite-pulse effects are mapped into the initial conditions for semiclassical surface-hopping simulations. The simulated surface-hopping diabatic populations are in qualitative agreement with the quantum mechanical results, especially concerning the subpicosend photoinduced dynamics, the main deviations being the relative delay of the non-adiabatic transitions in the semiclassical picture. Likewise, these differences in the time-dependent electronic populations calculated via the semiclassical and the quantum methods are found to have a mild influence on the overall probability density distribution. As a result, the branching ratios between the bound and the dissociative reaction channels and the time-evolution of the molecular wavepacket predicted by the semiclassical method agree with those computed using quantum wavepacket propagation. Implications for more challenging molecular systems are given.
STATISTICAL MECHANICS MODELING OF MESOSCALE DEFORMATION IN METALS...
Office of Scientific and Technical Information (OSTI)
... Authors: Anter El-Azab Publication Date: 2013-04-08 OSTI Identifier: 1073049 Report Number(s): DOE-ER46494 DOE Contract Number: FG02-08ER46494 Resource Type: Technical Report ...
Mesoscale modeling of intergranular bubble percolation in nuclear fuels
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.
MESOSCALE MODELING OF INTERGRANULAR BUBBLE PERCOLATION IN NUCLEAR FUELS
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.
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 ...
STATISTICAL MECHANICS MODELING OF MESOSCALE DEFORMATION IN METALS...
Office of Scientific and Technical Information (OSTI)
dislocation systems in deformed crystals. 2) Formulating kinetic equations of dislocations and coupling these kinetics equations and crystal mechanics. 3) Computational solution ...
Analysis of Mesoscale Model Data for Wind Integration (Poster)
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.
Computational Modeling of Heterogeneous Reactive Materials at the Mesoscale
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.
STATISTICAL MECHANICS MODELING OF MESOSCALE DEFORMATION IN METALS...
Office of Scientific and Technical Information (OSTI)
... The rest of the report gives and overview of the research performed under this project and highlights the key results and open questions left for future investigations. less ...
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 ...
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.
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.
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.
Peridynamic Multiscale Finite Element Methods
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
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
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.
Rivard, MJ; Ghadyani, HR; Bastien, AD; Lutz, NN; Hepel, JT
2015-06-15
Purpose: Noninvasive image-guided breast brachytherapy delivers conformal HDR Ir-192 brachytherapy treatments with the breast compressed, and treated in the cranial-caudal and medial-lateral directions. This technique subjects breast tissue to extreme deformations not observed for other disease sites. Given that, commercially-available software for deformable image registration cannot accurately co-register image sets obtained in these two states, a finite element analysis based on a biomechanical model was developed to deform dose distributions for each compression circumstance for dose summation. Methods: The model assumed the breast was under planar stress with values of 30 kPa for Young’s modulus and 0.3 for Poisson’s ratio. Dose distributions from round and skin-dose optimized applicators in cranial-caudal and medial-lateral compressions were deformed using 0.1 cm planar resolution. Dose distributions, skin doses, and dose-volume histograms were generated. Results were examined as a function of breast thickness, applicator size, target size, and offset distance from the center. Results: Over the range of examined thicknesses, target size increased several millimeters as compression thickness decreased. This trend increased with increasing offset distances. Applicator size minimally affected target coverage, until applicator size was less than the compressed target size. In all cases, with an applicator larger or equal to the compressed target size, > 90% of the target covered by > 90% of the prescription dose. In all cases, dose coverage became less uniform as offset distance increased and average dose increased. This effect was more pronounced for smaller target-applicator combinations. Conclusions: The model exhibited skin dose trends that matched MC-generated benchmarking results and clinical measurements within 2% over a similar range of breast thicknesses and target sizes. The model provided quantitative insight on dosimetric treatment variables over
Center for Mesoscale Transport Properties (m2M) | U.S. DOE Office of
Office of Science (SC) Website
Science (SC) Center for Mesoscale Transport Properties (m2M) Energy Frontier Research Centers (EFRCs) EFRCs Home Centers EFRC External Websites Research Science Highlights News & Events Publications History Contact BES Home Centers Center for Mesoscale Transport Properties (m2m) Print Text Size: A A A FeedbackShare Page m2M Header Director Esther Takeuchi Lead Institution Stony Brook University Year Established 2014 Mission To understand and provide control of transport properties in
Finite groups and quantum physics
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.
Modeling nanoscale hydrodynamics by smoothed dissipative particle dynamics
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.
MICRO-SEISMOMETERS VIA ADVANCED MESO-SCALE FABRICATION
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.
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
Refined BCF-type boundary conditions for mesoscale surface step dynamics
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.
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.
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.
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
Twisted mass finite volume effects
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.
Co-Design at the Mesoscale: Opportunities for NSLS-II (Conference) |
Office of Scientific and Technical Information (OSTI)
SciTech Connect Conference: Co-Design at the Mesoscale: Opportunities for NSLS-II Citation Details In-Document Search Title: Co-Design at the Mesoscale: Opportunities for NSLS-II Authors: Sarrao, John L. [1] + Show Author Affiliations Los Alamos National Laboratory Publication Date: 2013-08-15 OSTI Identifier: 1090634 Report Number(s): LA-UR-13-26447 DOE Contract Number: AC52-06NA25396 Resource Type: Conference Resource Relation: Conference: NSLS-II First Experiments Workshop ; 2013-08-12 -
MaRIE: A facility for time-dependent materials science at the mesoscale
Office of Scientific and Technical Information (OSTI)
(Technical Report) | SciTech Connect Technical Report: MaRIE: A facility for time-dependent materials science at the mesoscale Citation Details In-Document Search Title: MaRIE: A facility for time-dependent materials science at the mesoscale Authors: Barnes, Cris William [1] ; Kippen, Karen Elizabeth [1] + Show Author Affiliations Los Alamos National Laboratory Publication Date: 2015-02-11 OSTI Identifier: 1170260 Report Number(s): LA-UR-15-20995 DOE Contract Number: AC52-06NA25396 Resource
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
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
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
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
Mesoscale Simulations of a Wind Ramping Event for Wind Energy Prediction
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.
Simonen, Edward P.; Garner, Francis A.; Klymyshyn, Nicholas A.; Toloczko, Mychailo B.
2005-10-01
Baffle-former bolts in pressurized water reactors (PWRs) tend to degrade with aging, partially due to radiation-induced hardening and also due to the often complex stress history of the bolt in response to time-dependent and spatial gradients in temperature and neutron flux-spectra that can alter the stress distribution of the bolts. The time-integrated stresses must play some role in bolt cracking, however, and therefore it is of interest to study the time dependence of bolt stresses even for idealized cases. These stresses have been quantified in the present analysis using newly developed material constitutive equations for swelling and creep at light-water reactor (LWR)-relevant temperatures and dose rates. ABAQUS finite element calculations demonstrate that irradiation creep in the absence of void swelling tends to relax bolt tension before 10 dpa. Subsequent differential swelling leads to an increase in bolt tension, but only to stresses below the yield strength and usually below the initial bolt loading. Various assumed bolt replacement scenarios are considered with respect to their consequences on future failure possibilities.
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 ...
Posters Mesoscale Simulations of Convective Systems with Data...
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
In this study the feasibility of driving the model with surface data, rawinsonde data, profiler winds, microwave radiometer moisture data, and radio-acoustic sounding system (RASS) ...
Dynamics and generation mechanisms of mesoscale structures in tokamak edge plasmas
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.
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
Upscaling Calcite Growth Rates From the Mesoscale to the Macroscale
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.
Theoretical approach to heterogeneous catalysis using large finite crystals
Salem, L.
1985-12-19
A theoretical-approach is described for heterogeneous catalysis using large finite crystals and an exactly soluble model. First, reviews of some themes which are well-known to physicists but need a translation into chemical language: wave vectors, the tight-binding model, and energy bands. Next a description of the finite simple cubic crystal and its analytical wave functions and energies in the Hueckel scheme is given. Also the analytical Hueckel wave functions for a finite face-centered cubic (FCC) crystal cut along square, (100)-type faces is described. Then the calculation of the perturbation interaction energy between H/sub 2/ and large finite (simple cubic or FCC) crystals of Ni atoms, having up to 13,824 atoms is described. The interaction energy is shown to be independent of crystal size, whatever the position of attack of the H/sub 2/ molecule. 28 references, 9 figures, 8 tables.
Modeling, Analysis and Simulation of Multiscale Preferential Flow - 8/05-8/10 - Final Report
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.
Coherent neutron scattering and collective dynamics on mesoscale
Novikov, Vladimir; Schweizer, Kenneth S; Sokolov, Alexei P
2013-01-01
By combining, and modestly extending, a variety of theoretical concepts for the dynamics of liquids in the supercooled regime, we formulate a simple analytic model for the temperature and wavevector dependent collective density fluctuation relaxation time that is measurable using coherent dynamic neutron scattering. Comparison with experiments on the ionic glass-forming liquid Ca K NO3 in the lightly supercooled regime suggests the model captures the key physics in both the local cage and mesoscopic regimes, including the unusual wavevector dependence of the collective structural relaxation time. The model is consistent with the idea that the decoupling between diffusion and viscosity is reflected in a different temperature dependence of the collective relaxation time at intermediate wavevectors and near the main (cage) peak of the static structure factor. More generally, our analysis provides support for the ideas that decoupling information and growing dynamic length scales can be at least qualitatively deduced by analyzing the collective relaxation time as a function of temperature and wavevector, and that there is a strong link between dynamic heterogeneity phenomena at the single and many particle level. Though very simple, the model can be applied to other systems, such as molecular liquids.
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.
Relativistic Random Phase Approximation At Finite Temperature
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.
Finite element analysis of multilayer coextrusion.
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.
Pion dynamics at finite temperature
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}
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.
Integrating Meshfree Peridynamic Models with Classical Finite...
Office of Scientific and Technical Information (OSTI)
for presentation at the Meshfree Methods for Large-Scale Computational Science and Engineering held October 27-28, 2014 in Tampa, FL. Research Org: Sandia National Laboratories ...
Design and fabrication of a meso-scale stirling engine and combustor.
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
Finite mass gravitating Yang monopoles
Cebeci, Hakan; Sarioglu, Oezguer; Tekin, Bayram
2008-12-15
We show that gravity cures the infrared divergence of the Yang monopole when a proper definition of conserved quantities in curved backgrounds is used, i.e. the gravitating Yang monopole in cosmological Einstein theory has a finite mass in generic even dimensions (including time). In addition, we find exact Yang-monopole type solutions in the cosmological Einstein-Gauss-Bonnet-Yang-Mills theory and briefly discuss their properties.
Documentation of Hybrid Hydride Model for Incorporation into Moose-Bison and Validation Strategy
Office of Energy Efficiency and Renewable Energy (EERE)
This report documents the development, demonstration and validation of a mesoscale, microstructural evolution model for simulation of zirconium hydride d-ZrH1.5 precipitation in the cladding of...
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Lu, Hanfeng; Zhang, Pengfei; Qiao, Zhen-An; Zhang, Jinshui; Zhu, Huiyuan; Chen, Jihua; Chen, Yinfei; Dai, Sheng
2015-02-19
Lanthanum-transition-metal perovskites with robust meso-scale porous frameworks (meso-LaMO3) are synthesized through use of ionic liquids. The resultant samples demonstrate a rather high activity for CO oxidation, by taking advantage of unique nanostructure-derived benefits. This synthesis strategy opens up a new opportunity for preparing functional mesoporous complex oxides of various compositions.
Lu, Hanfeng; Zhang, Pengfei; Qiao, Zhen-An; Zhang, Jinshui; Zhu, Huiyuan; Chen, Jihua; Chen, Yinfei; Dai, Sheng
2015-02-19
Lanthanum-transition-metal perovskites with robust meso-scale porous frameworks (meso-LaMO_{3}) are synthesized through use of ionic liquids. The resultant samples demonstrate a rather high activity for CO oxidation, by taking advantage of unique nanostructure-derived benefits. This synthesis strategy opens up a new opportunity for preparing functional mesoporous complex oxides of various compositions.
Physically consistent simulation of mesoscale chemical kinetics: The non-negative FIS-{alpha} method
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.
Application of Mass Lumped Higher Order Finite Elements
Chen, J.; Strauss, H. R.; Jardin, S. C.; Park, W.; Sugiyama, L. E.; G. Fu; Breslau, J.
2005-11-01
There are many interesting phenomena in extended-MHD such as anisotropic transport, mhd, 2-fluid effects stellarator and hot particles. Any one of them challenges numerical analysts, and researchers are seeking for higher order methods, such as higher order finite difference, higher order finite elements and hp/spectral elements. It is true that these methods give more accurate solution than their linear counterparts. However, numerically they are prohibitively expensive. Here we give a successful solution of this conflict by applying mass lumped higher order finite elements. This type of elements not only keep second/third order accuracy but also scale closely to linear elements by doing mass lumping. This is especially true for second order lump elements. Full M3D and anisotropic transport models are studied.
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
Finite Cosmology and a CMB Cold Spot
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.
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
Assessment of a hybrid finite element and finite volume code for turbulent incompressible flows
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.
On the secure obfuscation of deterministic finite automata.
Anderson, William Erik
2008-06-01
In this paper, we show how to construct secure obfuscation for Deterministic Finite Automata, assuming non-uniformly strong one-way functions exist. We revisit the software protection approaches originally proposed by [5, 10, 12, 17] and revise them to the current obfuscation setting of Barak et al. [2]. Under this model, we introduce an efficient oracle that retains some 'small' secret about the original program. Using this secret, we can construct an obfuscator and two-party protocol that securely obfuscates Deterministic Finite Automata against malicious adversaries. The security of this model retains the strong 'virtual black box' property originally proposed in [2] while incorporating the stronger condition of dependent auxiliary inputs in [15]. Additionally, we show that our techniques remain secure under concurrent self-composition with adaptive inputs and that Turing machines are obfuscatable under this model.
Kim, S.
1994-12-31
Parallel iterative procedures based on domain decomposition techniques are defined and analyzed for the numerical solution of wave propagation by finite element and finite difference methods. For finite element methods, in a Lagrangian framework, an efficient way for choosing the algorithm parameter as well as the algorithm convergence are indicated. Some heuristic arguments for finding the algorithm parameter for finite difference schemes are addressed. Numerical results are presented to indicate the effectiveness of the methods.
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.
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.
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.
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.
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.
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
Measuring kinetic energy changes in the mesoscale with low acquisition rates
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.
SEACAS Theory Manuals: Part III. Finite Element Analysis in Nonlinear Solid Mechanics
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.
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
A Multiscale Modeling Approach to Analyze Filament-Wound Composite Pressure Vessels
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].
Assessment of Molecular Modeling & Simulation
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.
Finite Size Corrections to the Radiation Reaction Force in Classical Electrodynamics
Galley, Chad R.; Leibovich, Adam K.; Rothstein, Ira Z.
2010-08-27
We introduce an effective field theory approach that describes the motion of finite size objects under the influence of electromagnetic fields. We prove that leading order effects due to the finite radius R of a spherically symmetric charge is order R{sup 2} rather than order R in any physical model, as widely claimed in the literature. This scaling arises as a consequence of Poincare and gauge symmetries, which can be shown to exclude linear corrections. We use the formalism to calculate the leading order finite size correction to the Abraham-Lorentz-Dirac force.
Finite Volume Based Computer Program for Ground Source Heat Pump...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Finite Volume Based Computer Program for Ground Source Heat Pump Systems Finite Volume Based Computer Program for Ground Source Heat Pump Systems Project objective: Create a new ...
On the validation of seismic imaging methods: Finite frequency...
Office of Scientific and Technical Information (OSTI)
On the validation of seismic imaging methods: Finite ... Our study suggests that finite-frequency approaches to ... Country of Publication: United States Language: English ...
Finite-size effects of hysteretic dynamics in multilayer graphene...
Office of Scientific and Technical Information (OSTI)
Publisher's Accepted Manuscript: Finite-size effects of hysteretic dynamics in multilayer graphene on a ferroelectric Prev Next Title: Finite-size effects of hysteretic ...
Finite-Temperature Hydrogen Adsorption and Desorption Thermodynamics...
Office of Scientific and Technical Information (OSTI)
Finite-Temperature Hydrogen Adsorption and Desorption Thermodynamics Driven by Soft Vibration Modes Citation Details In-Document Search Title: Finite-Temperature Hydrogen ...
Finite Deformation of Magnetoelastic Film
Barham, Matthew Ian
2011-05-31
A nonlinear two-dimensional theory is developed for thin magnetoelastic lms capable of large deformations. This is derived directly from three-dimensional theory. Signi cant simpli cations emerge in the descent from three dimensions to two, permitting the self eld generated by the body to be computed a posteriori. The model is specialized to isotropic elastomers with two material models. First weak magnetization is investigated leading to a free energy where magnetization and deformation are un-coupled. The second closely couples the magnetization and deformation. Numerical solutions are obtained to equilibrium boundary-value problems in which the membrane is subjected to lateral pressure and an applied magnetic eld. An instability is inferred and investigated for the weak magnetization material model.
Richards Equation Solver; Rectangular Finite Volume Flux Updating Solution.
Energy Science and Technology Software Center (OSTI)
2002-01-18
Version: 00 POLYRES solves the transient, two-dimensional, Richards equation for water flow in unsaturated-saturated soils. The package is specifically designed to allow the user to easily model complex polygon-shaped regions. Flux, head, and unit gradient boundary conditions can be used. Spatial variation of the hydraulic properties can be defined across individual polygon-shaped subdomains, called objects. These objects combine to form a polygon-shaped model domain. Each object can have its own distribution of hydraulic parameters. Themore » resulting model domain and polygon-shaped internal objects are mapped onto a rectangular, finite-volume, computational grid by a preprocessor. This allows the user to specify model geometry independently of the underlying grid and greatly simplifies user input for complex geometries. In addition, this approach significantly reduces the computational requirements since complex geometries are actually modeled on a rectangular grid. This results in well-structured, finite difference-like systems of equations that require minimal storage and are very efficient to solve.« less
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.