SEARCH · Search NASA

Results for “Software behavior computation”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 73 records · Page 4

All sources NASA NTRS DOE OSTI

DOE OSTI2023

MDDC Multi-Length Scale Data Architecture Contribution Report – PNNL, INL, ANL, LANL and ORNL

This report offers a comprehensive view of data streams currently generated at Pacific Northwest National Laboratory, Idaho National Laboratory, Argonne National Laboratory, Los Alamos National Laboratory, and Oak Ridge National Laboratory set to integrate into the evolving Multi-Dimensional Data Correlation framework at Oak Ridge National Laboratory. Developed by the Advanced Materials and Manufacturing Technologies program, the Multi-Dimensional Data Correlation framework serves as a cutting-edge software to manage data relevant to advanced manufacturing and material behavior in advanced reactors. The report defines data streams, highlights their generation methods and visualization methods both for experimental and computational aspects relevant to the Advanced Materials and Manufacturing Technologies project. A logical next step for this work is to integrate the MDDC framework into PNNL’s, INL’s, ANL’s, LANL’s and ORNL’s fabrication, experimentation, and modelling workflows. This would require setting up the MDDC framework at PNNL, INL, ANL, and LANL and integrating it into the data collection and storage for these different activities.

36 MATERIALS SCIENCE↗

DOE OSTI2012

PNNL Technical Support to The Implementation of EMTA and EMTA-NLA Models in Autodesk ® Moldflow ® Packages

Under the Predictive Engineering effort, PNNL developed linear and nonlinear property prediction models for long-fiber thermoplastics (LFTs). These models were implemented in PNNL’s EMTA and EMTA-NLA codes. While EMTA is a standalone software for the computation of the composites thermoelastic properties, EMTA-NLA presents a series of nonlinear models implemented in ABAQUS ® via user subroutines for structural analyses. In all these models, it is assumed that the fibers are linear elastic while the matrix material can exhibit a linear or typical nonlinear behavior depending on the loading prescribed to the composite. The key idea is to model the constitutive behavior of the matrix material and then to use an Eshelby-Mori-Tanaka approach (EMTA) combined with numerical techniques for fiber length and orientation distributions to determine the behavior of the as-formed composite. The basic property prediction models of EMTA and EMTA-NLA have been subject for implementation in the Autodesk ® Moldflow ® software packages. These models are the elastic stiffness model accounting for fiber length and orientation distributions, the fiber/matrix interface debonding model, and the elastic-plastic models. The PNNL elastic-plastic models for LFTs describes the composite nonlinear stress-strain response up to failure by an elastic-plastic formulation associated with either a micromechanical criterion to predict failure or a continuum damage mechanics formulation coupling damage to plasticity. All the models account for fiber length and orientation distributions as well as fiber/matrix debonding that can occur at any stage of loading. In an effort to transfer the technologies developed under the Predictive Engineering project to the American automotive and plastics industries, PNNL has obtained the approval of the DOE Office of Vehicle Technologies to provide Autodesk, Inc. with the technical support for the implementation of the basic property prediction models of EMTA and EMTA-NLA in the Autodesk ® Moldflow ® packages. This report summarizes the recent results from Autodesk Simulation Moldlow Insight (ASMI) analyses using the EMTA models and EMTA-NLA/ABAQUS ® analyses for further assessment of the EMTA-NLA models to support their implementation in Autodesk Moldflow Structural Alliance (AMSA). PNNL’s technical support to Autodesk, Inc. included (i) providing the theoretical property prediction models as described in published journal articles and reports, (ii) providing explanations of these models and computational procedure, (iii) providing the necessary LFT data for process simulations and property predictions, and (iv) performing ABAQUS/EMTA-NLA analyses to further assess and illustrate the models for selected LFT materials.

damage analysis↗

DOE OSTI2025

Assessing VQLS for Fluid Dynamics on a Hybrid Quantum-HPC Stack

Recent advances in quantum linear solvers offer a promising direction for accelerating extreme scientific computations such as fluid dynamics. However, the deep and complex circuits required by many quantum algorithms limit their practical use on current quantum hardware. The Variational Quantum Linear Solver (VQLS) presents a viable alternative for near-term quantum devices (NISQ), and initial efforts have explored its application to select fluid dynamics problems. In this work, we evaluate the use of VQLS for canonical fluid dynamics problems, aiming to identify pathways for generalizing its implementation across a broader class of systems. We analyze the impact of various circuit ansatz and classical optimizers on solution quality and convergence behavior. Furthermore, we assess the algorithm's feasibility within a hybrid quantum–high-performance computing (HPC) framework by porting it to QFw, a state-of-the-art quantum-HPC software stack. 11This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan. This research used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the US DOE under Contract No. DE-AC05-00OR22725.

Gopalakrishnan Meena, Murali [ORNL] (ORCID:0000000↗

DOE OSTI2022

Preliminary Thermal-Hydraulic Analysis of the UTA–2 Subcritical Linear Accelerator–Driven System

The National Nuclear Security Administration’s mission includes establishing a reliable supply of 99 Mo without highly enriched uranium. Oak Ridge National Laboratory (ORNL) supports this objective through collaborative research and development with industrial partners. Niowave Inc., a current partner, is currently designing a subcritical linear accelerator-driven system (ADS) and preparing for the US Nuclear Regulatory Commission’s licensing process. Niowave’s system has the potential to efficiently supply medical radioisotopes. The technology includes a superconducting electron accelerator and a pile of both natural and low-enriched uranium (LEU) targets. The process fissions uranium and many valuable isotopes can then be extracted from the targets. Niowave is currently iterating through conceptual and detailed design processes for several system sizes. This report discusses UTA–2, which is at the demonstration stage. UTA–2 will validate numerical modeling results with experimental measurements before progressing to the detailed design of UTA–3, the commercial-sized ADS. The thermal-hydraulic behavior of the UTA–2 core design was numerically investigated using STAR-CCM+, as described in this report. STAR-CCM+, a state-of-the-art computational fluid dynamics (CFD) software that was commercially developed by Siemens, has an extensive user base and a set of validation studies. It is also compliant with the American Society of Mechanical Engineers’ Nuclear Quality Assurance 1 standard. Three cases are investigated in this report. Case 1 quantified the temperature field within the UTA–2 assembly and water tank using only conduction as the method of thermal energy transport. This simplified approach was overly conservative and yielded wetted cladding temperatures above the coolant saturation temperature. In this case, the maximum temperature of the wetted cladding surface of the highest power rod exceeded the saturation temperature of water by 63.8°C. Because of the overly conservative approach taken in Case 1 and its negative subcooled margin, buoyancy-driven natural circulation flow physics were implemented in Case 2. Adding coolant motion significantly distributed the thermal energy of the system through convective heat transfer. This relatively small amount of convective heat transfer significantly reduced system temperatures and increased the subcooled margin from –63.8 to 61.3°C. This margin confirmed that no boiling was expected during normal operation of UTA–2 at 230 W. Case 3 had no additional physics models but considered an overpower event during which the power of each LEU and natural uranium rod was at its respective peak values. This resulted in a study with the total assembly power equal to 176% of the nominal power of 230 W considered in Cases 1 and 2. The resulting natural circulation flows were slightly enhanced. The subcooled margin decreased slightly to 46.3°C, which is still a significant margin to local boiling of the water within the tank. This margin confirmed that no boiling was expected during an abnormal operation of UTA–2 at 406 W.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2021

Numerical Investigation of Enhanced Dehumidification Processes By Using Dielectrophoresis Principles in Moist Airflows

Dispersed particle-laden flows are encountered in many building and industrial applications, such as flow in a fluidized bed, hydrocarbon transportation in pipelines, and the fouling of air-cooled heat exchangers (Kuruneru et al., 2016; Ray et al., 2019; Wang et al., 2019). Computational fluid dynamic (CFD) models have been developed in recent years to depict particle-fluid and particle-particle interactions in laminar or turbulent flows with increasing accuracy and stability. One particular particle-laden system of interest for moisture control is electrically-enhanced condensation in air and water droplet flows. Electrically-enhanced condensation consists of the use of highly charged water droplets injected in the moist air. The droplets become electric seeds that attract polar water vapor molecules to their surfaces and promote condensation. The nucleation and growth of the charged droplets deplete the vapor phase near a droplet, which is compensated for by the dielectrophoresis flow and diffusion. Dielectrophoresis flow involves surrounding vapor at a distance of about 10 to 100 nm for droplets charged by an electrospray compared to ~2 nm for a single electron charge in a droplet. As the vapor molecules collapse on the surface of the droplets, their initial electrical charge decreases with time due to the neutralization of the ions. While the physics of this phenomena is well known, engineering models for predicting the condensation rates are not available. This work computationally investigates dehumidification of moist airflow in a converging rectangular duct. The objective is to develop an engineering model that predicts water vapor condensation by employing dielectrophoresis principles. We construct a Computational Fluid Dynamics (CFD) model of the duct with electrically-enhanced condensation. The model is implemented in the open-source software OpenFOAM. We utilize the Multi-Phase Particle-In-Cell (MP-PIC) method coupled with a Population Balance Equation (PBE) approach to simulate the particle-laden system. This methodology is an Eulerian-Lagrangian approach used to simulate the droplets' behavior in the humid air. The MP-PIC approach (Andrews and O'Rourke, 1996) mitigates the computational cost by parceling several fundamental particles with similar properties (such as types, sizes, and temperature) into one computational particle. Thus, the billions of particles can be substituted by millions of computational particles without significant loss of information. The PBE was considered with the Lagrangian frame to combine the particle distribution function used in MP-PIC (Kim et al., 2020). This approach preserves mass and energy conservation between the phases in the Eulerian and Lagrangian structures. The PBE in this procedure was directly linked to the discrete parcels, making the simulation of the particle distribution computationally efficient and robust. The MP-PIC-PBE approach used in the present work was applied to the dehumidification of air. Water droplets were injected in the air stream and forced to grow according to experimentally derived correlation. The experiments were conducted on a converging duct with the same geometry and boundary conditions used to build the CFD model. This approach enabled us to approximate the effect of dielectrophoresis phenomena on the droplet and air interface. This presentation will discuss the details of the new CFD model built for the duct, the implementation of the model in OpenFOAM CFD programming language, and the experimental validation of the newly developed model. The results revealed a moderate yet measurable increase in droplet diameter due to water vapor condensation at the vapor-liquid interface of the electrically charged droplets' surface. The seed water droplet particles grew in size by capturing the water vapor in the surrounding air. The OpenFOAM model predicted reductions of humidity in the air from 5 to 10 percent.

Yel Mahi, Maliha↗

DOE OSTI2016

SU-F-I-43: A Software-Based Statistical Method to Compute Low Contrast Detectability in Computed Tomography Images

Purpose: The low contrast detectability (LCD) of a CT scanner is its ability to detect and display faint lesions. The current approach to quantify LCD is achieved using vendor-specific methods and phantoms, typically by subjectively observing the smallest size object at a contrast level above phantom background. However, this approach does not yield clinically applicable values for LCD. The current study proposes a statistical LCD metric using software tools to not only to assess scanner performance, but also to quantify the key factors affecting LCD. This approach was developed using uniform QC phantoms, and its applicability was then extended under simulated clinical conditions. Methods: MATLAB software was developed to compute LCD using a uniform image of a QC phantom. For a given virtual object size, the software randomly samples the image within a selected area, and uses statistical analysis based on Student’s t-distribution to compute the LCD as the minimal Hounsfield Unit’s that can be distinguished from the background at the 95% confidence level. Its validity was assessed by comparison with the behavior of a known QC phantom under various scan protocols and a tissue-mimicking phantom. The contributions of beam quality and scattered radiation upon the computed LCD were quantified by using various external beam-hardening filters and phantom lengths. Results: As expected, the LCD was inversely related to object size under all scan conditions. The type of image reconstruction kernel filter and tissue/organ type strongly influenced the background noise characteristics and therefore, the computed LCD for the associated image. Conclusion: The proposed metric and its associated software tools are vendor-independent and can be used to analyze any LCD scanner performance. Furthermore, the method employed can be used in conjunction with the relationships established in this study between LCD and tissue type to extend these concepts to patients’ clinical CT images.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

DT-HYDRO

The software solves the time dependent, one dimensional (1D) coupled mass and momentum balance equations governing the elastic flow of water through the penstock, turbine and draft tube in a hydroelectric facility using a high order finite volume based method. The numerical method is based on the Kurganov-Tadmor central method paired with the Monotonic Upstream-centered Scheme for Conservation Laws (MUSCL). This solution method accurately resolves the fast transient behavior of the flow, including water hammer. Additionally, the software estimates the full 3D flow field within the turbine chamber in real time, a feat that is made possible by leveraging pre-computed CFD results by utilizing a reduced order modeling method based on an efficient randomized singular value decomposition (SVD) driven proper orthogonal decomposition (POD) with POD-mode weight regression. The reduced order model of the 3D flow is directly coupled to the 1D elastic flow model so the entire flow field through the penstock and turbine system is resolved quickly and with high fidelity.

Gurecky, William [Oak Ridge National Laboratory (O↗

DOE OSTI2014

Parallel time integration software

This package implements an optimal-scaling multigrid solver for the (non) linear systems that arise from the discretization of problems with evolutionary behavior. Typically, solution algorithms for evolution equations are based on a time-marching approach, solving sequentially for one time step after the other. Parallelism in these traditional time-integrarion techniques is limited to spatial parallelism. However, current trends in computer architectures are leading twards system with more, but not faster. processors. Therefore, faster compute speeds must come from greater parallelism. One approach to achieve parallelism in time is with multigrid, but extending classical multigrid methods for elliptic poerators to this setting is a significant achievement. In this software, we implement a non-intrusive, optimal-scaling time-parallel method based on multigrid reduction techniques. The examples in the package demonstrate optimality of our multigrid-reduction-in-time algorithm (MGRIT) for solving a variety of parabolic equations in two and three sparial dimensions. These examples can also be used to show that MGRIT can achieve significant speedup in comparison to sequential time marching on modern architectures.

Source record↗

DOE OSTI2014

Parallel time integration software

Source record↗

DOE OSTI2020

GridOPTICS/GridPACK

GridPACK is a software framework consisting of a set of modules designed to simplify the development of programs that model the power grid and run on parallel, high performance computing platforms. It also contains several fully developed applications, including powerflow, dynamic simulation, state estimation, Kalman filter analysis (dynamic state estimation), contingency analysis and real time path rating. These applications can be used either standalone or as components in more complicated workflows that combine several different types of application together. The framework modules are available as a combination of libraries and software templates and consist of components for setting up and distributing power grid networks, support for modeling the behavior of individual buses and branches in the network, converting the network models to the corresponding algebraic equations, and parallel routines for manipulating and solving large algebraic systems. The framework also contains a module for distributing tasks evenly amongst computing resources, even if individual tasks vary widely in their execution times. Additional modules support input and output, basic statistical analysis of contingency based calculations, distributed data structures, as well as basic profiling and error management.

Palmer, Bruce↗

DOE OSTI2011

CAD-centric Computation Management System for a Virtual TBM

HyPerComp Inc. in research collaboration with TEXCEL has set out to build a Virtual Test Blanket Module (VTBM) computational system to address the need in contemporary fusion research for simulating the integrated behavior of the blanket, divertor and plasma facing components in a fusion environment. Physical phenomena to be considered in a VTBM will include fluid flow, heat transfer, mass transfer, neutronics, structural mechanics and electromagnetics. We seek to integrate well established (third-party) simulation software in various disciplines mentioned above. The integrated modeling process will enable user groups to interoperate using a common modeling platform at various stages of the analysis. Since CAD is at the core of the simulation (as opposed to computational meshes which are different for each problem,) VTBM will have a well developed CAD interface, governing CAD model editing, cleanup, parameter extraction, model deformation (based on simulation,) CAD-based data interpolation. In Phase-I, we built the CAD-hub of the proposed VTBM and demonstrated its use in modeling a liquid breeder blanket module with coupled MHD and structural mechanics using HIMAG and ANSYS. A complete graphical user interface of the VTBM was created, which will form the foundation of any future development. Conservative data interpolation via CAD (as opposed to mesh-based transfer), the regeneration of CAD models based upon computed deflections, are among the other highlights of phase-I activity.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2016

Streamlining the Design-to-Build Transition with Build-Optimization Software Tools

Scaling-up capabilities for the design, build, and test of synthetic biology constructs holds great promise for the development of new applications in fuels, chemical production, or cellular-behavior engineering. Construct design is an essential component in this process; however, not every designed DNA sequence can be readily manufactured, even using state-of-the-art DNA synthesis methods. Current biological computer-aided design and manufacture tools (bioCAD/CAM) do not adequately consider the limitations of DNA synthesis technologies when generating their outputs. Designed sequences that violate DNA synthesis constraints may require substantial sequence redesign or lead to price-premiums and temporal delays, which adversely impact the efficiency of the DNA manufacturing process. In this paper, we have developed a suite of build-optimization software tools (BOOST) to streamline the design-build transition in synthetic biology engineering workflows. BOOST incorporates knowledge of DNA synthesis success determinants into the design process to output ready-to-build sequences, preempting the need for sequence redesign. The BOOST web application is available at https://boost.jgi.doe.gov and its Application Program Interfaces (API) enable integration into automated, customized DNA design processes. Finally, the herein presented results highlight the effectiveness of BOOST in reducing DNA synthesis costs and timelines.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2014

RELAP5-3D Developer Guidelines and Programming Practices

Our ultimate goal is to create and maintain RELAP5-3D as the best software tool available to analyze nuclear power plants. This begins with writing excellent programming and requires thorough testing. This document covers development of RELAP5-3D software, the behavior of the RELAP5-3D program that must be maintained, and code testing. RELAP5-3D must perform in a manner consistent with previous code versions with backward compatibility for the sake of the users. Thus file operations, code termination, input and output must remain consistent in form and content while adding appropriate new files, input and output as new features are developed. As computer hardware, operating systems, and other software change, RELAP5-3D must adapt and maintain performance. The code must be thoroughly tested to ensure that it continues to perform robustly on the supported platforms. The coding must be written in a consistent manner that makes the program easy to read to reduce the time and cost of development, maintenance and error resolution. The programming guidelines presented her are intended to institutionalize a consistent way of writing FORTRAN code for the RELAP5-3D computer program that will minimize errors and rework. A common format and organization of program units creates a unifying look and feel to the code. This in turn increases readability and reduces time required for maintenance, development and debugging. It also aids new programmers in reading and understanding the program. Therefore, when undertaking development of the RELAP5-3D computer program, the programmer must write computer code that follows these guidelines. This set of programming guidelines creates a framework of good programming practices, such as initialization, structured programming, and vector-friendly coding. It sets out formatting rules for lines of code, such as indentation, capitalization, spacing, etc. It creates limits on program units, such as subprograms, functions, and modules. It establishes documentation guidance on internal comments. The guidelines apply to both existing and new subprograms. They are written for both FORTRAN 77 and FORTRAN 95. The guidelines are not so rigorous as to inhibit a programmer’s unique style, but do restrict the variations in acceptable coding to create sufficient commonality that new readers will find the coding in each new subroutine familiar. It is recognized that this is a “living” document and must be updated as languages, compilers, and computer hardware and software evolve.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

INTEGRATED WORKFLOW MANAGEMENT FOR PARTICLE ACCELERATOR SIMULATION

Supercomputing systems are used for a wide range of computationally demanding tasks in many fields of science and engineering. They play a key role in numerical simulation, in which mathematical models are computed in order to simulate the behavior of physical systems. Scientists and engineers that use supercomputers for numerical simulation often have their productivity limited by the need to manually organize and manage extremely large amounts of data that are often produced and consumed by the software programs run on these systems. Recognizing these limitations, Kitware Inc. (Clifton Park, NY) and SLAC National Accelerator Laboratory (Menlo Park, CA) are developing an advanced software platform that can reduce the cognitive overhead required by knowledge workers when using supercomputers for numerical simulation. Phase I of the project is complete and includes the development of new capabilities for organizing simulation project files, improvements to the user interface and overall usability, and deployment of a “middle tier” server to sit between user desktop machines and supercomputers to offload much of the data management workload. The project also developed prototype software for executing sequences of numerical simulations, and a prototype for migrating supercomputing software to cloud-based computing systems to provide a potential alternative to supercomputers with different logistical and price-to-performance tradeoffs.

Tourtellott, John↗

DOE OSTI2025

Grain2Mesh: Mesh Generation for Grain-Scale Nonlinear Elasticity Modeling

The nonlinear hysteretic behavior of rocks under cyclic loading is a crucial area of study in geomechanics. The macroscopic response of a variety of materials has been found to be contingent upon the behavior of the micro-scale structure. This project aims to develop a functional and maintainable software package for generating a multi-phase numerical mesh and accompanying simulation files for finite element modeling used in computational mechanics solvers. Meshes generated from images often lack key preprocessing that reduces noise and prevents mesh element distortion that can increase computational cost. By incorporating user feedback throughout, grain2mesh ensures a high-fidelity mesh that can be used to model grain-scale interactions such as shearing, crack propagation, and interfacial material contrast. Scientific applications of this software include material fracturing, stress-strain analysis for natural and engineered materials, and nonlinear meso-scale analysis.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2012

NEAMS Update: Quarterly Report for October - December 2011

The Advanced Modeling and Simulation Office within the DOE Office of Nuclear Energy (NE) has been charged with revolutionizing the design tools used to build nuclear power plants during the next 10 years. To accomplish this, the DOE has brought together the national laboratories, U.S. universities, and the nuclear energy industry to establish the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program. The mission of NEAMS is to modernize computer modeling of nuclear energy systems and improve the fidelity and validity of modeling results using contemporary software environments and high-performance computers. NEAMS will create a set of engineering-level codes aimed at designing and analyzing the performance and safety of nuclear power plants and reactor fuels. The truly predictive nature of these codes will be achieved by modeling the governing phenomena at the spatial and temporal scales that dominate the behavior. These codes will be executed within a simulation environment that orchestrates code integration with respect to spatial meshing, computational resources, and execution to give the user a common 'look and feel' for setting up problems and displaying results. NEAMS is building upon a suite of existing simulation tools, including those developed by the federal Scientific Discovery through Advanced Computing and Advanced Simulation and Computing programs. NEAMS also draws upon existing simulation tools for materials and nuclear systems, although many of these are limited in terms of scale, applicability, and portability (their ability to be integrated into contemporary software and hardware architectures). NEAMS investments have directly and indirectly supported additional NE research and development programs, including those devoted to waste repositories, safeguarded separations systems, and long-term storage of used nuclear fuel. NEAMS is organized into two broad efforts, each comprising four elements. The quarterly highlights October-December 2011 are: (1) Version 1.0 of AMP, the fuel assembly performance code, was tested on the JAGUAR supercomputer and released on November 1, 2011, a detailed discussion of this new simulation tool is given; (2) A coolant sub-channel model and a preliminary UO{sub 2} smeared-cracking model were implemented in BISON, the single-pin fuel code, more information on how these models were developed and benchmarked is given; (3) The Object Kinetic Monte Carlo model was implemented to account for nucleation events in meso-scale simulations and a discussion of the significance of this advance is given; (4) The SHARP neutronics module, PROTEUS, was expanded to be applicable to all types of reactors, and a discussion of the importance of PROTEUS is given; (5) A plan has been finalized for integrating the high-fidelity, three-dimensional reactor code SHARP with both the systems-level code RELAP7 and the fuel assembly code AMP. This is a new initiative; (6) Work began to evaluate the applicability of AMP to the problem of dry storage of used fuel and to define a relevant problem to test the applicability; (7) A code to obtain phonon spectra from the force-constant matrix for a crystalline lattice has been completed. This important bridge between subcontinuum and continuum phenomena is discussed; (8) Benchmarking was begun on the meso-scale, finite-element fuels code MARMOT to validate its new variable splitting algorithm; (9) A very computationally demanding simulation of diffusion-driven nucleation of new microstructural features has been completed. An explanation of the difficulty of this simulation is given; (10) Experiments were conducted with deformed steel to validate a crystal plasticity finite-element code for bodycentered cubic iron; (11) The Capability Transfer Roadmap was completed and published as an internal laboratory technical report; (12) The AMP fuel assembly code input generator was integrated into the NEAMS Integrated Computational Environment (NiCE). More details on the planned NEAMS computing environment is given; and (13) The NEAMS program website (neams.energy.gov) is nearly ready to launch.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2011

Verification of the Coupled Fluid/Solid Transfer in a CASL Grid-to-Rod-Fretting Simulation: A Technical Brief on the Analysis of Convergence Behavior and Demonstration of Software Tools for Verification

For a CASL grid-to-rod fretting problem, Sandia's Percept software was used in conjunction with the Sierra Mechanics suite to analyze the convergence behavior of the data transfer from a fluid simulation to a solid mechanics simulation. An analytic function, with properties relatively close to numerically computed fluid approximations, was chosen to represent the pressure solution in the fluid domain. The analytic pressure was interpolated on a sequence of grids on the fluid domain, and transferred onto a separate sequence of grids in the solid domain. The error in the resulting pressure in the solid domain was measured with respect to the analytic pressure. The error in pressure approached zero as both the fluid and solids meshes were refined. The convergence of the transfer algorithm was limited by whether the source grid resolution was the same or finer than the target grid resolution. In addition, using a feature coverage analysis, we found gaps in the solid mechanics code verification test suite directly relevant to the prototype CASL GTRF simulations.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2013

RELAP5-3D Developer Guidelines and Programming Practices

22 GENERAL STUDIES OF NUCLEAR REACTORS↗