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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.

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At least 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Effect of Surrogate Fission Products on Thermal Conductivity and Viscosity of NaCl-UCl 3

Thermophysical properties of salt systems relevant to molten salt reactors (MSRs) are experimentally measured in support of the US Department of Energy Office of Nuclear Energy (DOE-NE) MSR campaign within the Advanced Reactor Technology (ART) Program. These property measurements also support the development of the thermophysical arm of the Molten Salt Database (MSD) within DOE-NE’s Nu clear Energy Advanced Modeling and Simulation (NEAMS) Program. Several US Department of Energy (DOE) laboratories, including Oak Ridge National Laboratory (ORNL), have been capitalizing on modern methodologies and sample characterization techniques to conduct thermophysical property measurements to support these programs and to provide MSR developers and modelers with more recent and higher-quality data.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Topographic Effects on Radiation in the WRF Model with the Immersed Boundary Method: Implementation, Validation, and Application to Complex Terrain

Abstract Topographic effects on radiation, including both topographic shading and slope effects, are included in the Weather Research and Forecasting (WRF) Model, and here they are made compatible with the immersed boundary method (IBM). IBM is an alternative method for representing complex terrain that reduces numerical errors over sloped terrain, thus extending the range of slopes that can be represented in WRF simulations. The implementation of topographic effects on radiation is validated by comparing land surface fluxes, as well as temperature and velocity fields, between idealized WRF simulations both with and without IBM. Following validation, the topographic shading implementation is tested in a semirealistic simulation of flow over Granite Mountain, Utah, where topographic shading is known to affect downslope flow development in the evening. The horizontal grid spacing is 50 m and the vertical grid spacing is approximately 8–27 m near the surface. Such a case would fail to run in WRF with its native terrain-following coordinates because of large local slope values reaching up to 55°. Good agreement is found between modeled surface energy budget components and observations from the Mountain Terrain Atmospheric Modeling and Observations (MATERHORN) program at a location on the east slope of Granite Mountain. In addition, the model captures large spatiotemporal inhomogeneities in the surface sensible heat flux that are important for the development of thermally driven flows over complex terrain.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

NEAMS Workbench 1.0 Beta

The mission of the US Department of Energy (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program is to develop, apply, deploy, and support state-of-the-art predictive modeling and simulation tools for the design and analysis of current and future nuclear energy systems. This is accomplished using computing architectures that range from laptops to leadership-class facilities. The NEAMS Workbench is a new initiative that will facilitate the transition from conventional tools to high-fidelity tools by providing a common user interface for model creation, review, execution, output review, and visualization for integrated codes. The Workbench can use common user input, including engineering scale specifications that are expanded into application-specific input requirements through the use of customizable templates. The templating process enables multi-fidelity analysis of a system from a common set of input data. Additionally, the common user input processor can provide an enhanced alternative application input that provides additional conveniences over the native input, especially for legacy codes. Expansion of the integrated codes and application templates available in the Workbench will broaden the NEAMS user community and will facilitate system analysis and design. Current and planned capabilities of the NEAMS Workbench are detailed here.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

NEAMS Workbench Status and Capabilities

The mission of the US Department of Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program is to develop, apply, deploy, and support state-of-the-art predictive modeling and simulation tools for the design and analysis of current and future nuclear energy systems. This is accomplished by using computing architectures that range from laptops to leadership-class facilities. The NEAMS Workbench is a new initiative that will facilitate the transition from conventional tools to high fidelity tools by providing a common user interface for model creation, review, execution, output review, and visualization for integrated codes. The Workbench can use common user input, including engineering-scale specifications that are expanded into application-specific input requirements through the use of customizable templates. The templating process can enable multifidelity analysis of a system from a common set of input data. Additionally, the common user input processor can provide an enhanced alternative application input that provides additional conveniences over the native input, especially for legacy codes. Expansion of the integrated codes and application templates available in the Workbench will broaden the NEAMS user community and will facilitate system analysis and design. Current and planned capabilities of the NEAMS Workbench are detailed here.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2019

NEAMS Workbench and Bison Fuel Performance Remote Application Configuration

The mission of the US Department of Energy (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program is to develop, apply, deploy, and support state-of-the-art predictive modeling and simulation tools for the design and analysis of current and future nuclear energy systems. This is accomplished using computing architectures that range from laptops to leadership class facilities. The NEAMS Workbench [1,2,3] initiative will facilitate the transition from conventional computer codes to high-fidelity ones by providing a common analysis environment and interface for model creation, review, execution, output review, and visualization for integrated codes. The BISON fuel performance code [4] is a finite element method (FEM)-based software being developed by multiple organizations led by the Idaho National Laboratory for the US Department of Energy Office of Nuclear Energy. BISON can simulate a variety of fuel and cladding compositions and geometries in varying dimensionalities, depending upon the problem type and complexity, including one-dimensional (1D), 1.5D, 2D axially symmetric (2D-rz), 2D radial-azimuthal (2D-rθ), or 3D models. The NEAMS Workbench allows execution of the BISON fuel performance code on local and remote compute resources. In this report, the detailed instructions of configuring the NEAMS Workbench for remote execution of the BISON fuel performance code on a portable batch system (PBS)-scheduled compute resource, as well the transfer of associated Bison files, is illustrated.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Integration of the Nek5000 Computational Fluid Dynamics Code with the NEAMS Workbench

The mission of the US Department of Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program is to develop, apply, deploy, and support state-of-the-art predictive modeling and simulation tools for the design and analysis of current and future nuclear energy systems using computing architectures ranging from laptops to leadership-class facilities. NEAMS is organized into three product lines: the Fuels Product Line (FPL),the Reactors Product Line (RPL), and the Integration Product Line (IPL). The FPL and RPL focus on the development of high-fidelity tools such as the MOOSE-based applications BISON and MARMOT [3, 9] at Idaho National Laboratory, and the PROTEUS neutronics code and the NEK5000 computational fluid dynamics code from the Simulation-based High-efficiency Advanced Reactor Prototyping (SHARP) framework [10]. The NEAMS IPL will enable users to apply high-fidelity simulations to inform lower order models for the design, analysis, and licensing of advanced nuclear systems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

NEAMS Workbench Status and Capabilities

The mission of the US Department of Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program is to develop, apply, deploy, and support state-of-the-art predictive modeling and simulation tools for the design and analysis of current and future nuclear energy systems. This is accomplished by using computing architectures that range from laptops to leadership-class facilities. The NEAMS Workbench is a new initiative that will facilitate the transition from conventional tools to highfidelity tools by providing a common user interface for model creation, review, execution, output review, and visualization for integrated codes. The Workbench can use common user input, including engineering-scale specifications that are expanded into application-specific input requirements through the use of customizable templates. The templating process can enable multifidelity analysis of a system from a common set of input data. Additionally, the common user input processor can provide an enhanced alternative application input that provides additional conveniences compared with native input, especially for legacy codes. Expansion of the integrated codes and application templates available in the Workbench will broaden the NEAMS user community and will facilitate system analysis and design. Current and planned capabilities of the NEAMS Workbench are detailed herein.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

A physics-based model of cladding wastage layer formation rate

In this report, lower length scale simulations to inform an engineering-scale model of fuel-cladding chemical interaction (FCCI) conducted under the auspices of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in FY22 are described. An overall strategy for the implementation of the BISON model is described, and the past and current lower length scale work on FCCI formation is put into the context of this overall strategy. Density functional theory and kinetic Monte Carlo simulations are used to determine the diffusion coefficient of neodymium in iron. Density functional theory calculations are also used to parameterize a parabolic approximation for the dependence of free energy on composition for the intermetallic compound Fe 17 Nd 2 . A phase-field model of the Fe-Nd system was developed that includes the random solid solution body-centered cubic phase and the intermetallic Fe 17 Nd 2 . The model was used to simulate growth of the intermetallic layer in a diffusion couple and the results were compared to experiment. The model’s prediction of the parabolic growth constant is within 40 % of the experimental value. The model is also used to simulate the formation of a grain boundary attack layer that is observed in experiment. The simulations show enhanced Nd concentration along the grain boundaries, but do not clearly show formation of a Fe 17 Nd 2 layer

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Overcoming the Challenges to Enhancing Experimental Plant Biology With Computational Modeling

The study of complex biological systems necessitates computational modeling approaches that are currently underutilized in plant biology. Many plant biologists have trouble identifying or adopting modeling methods to their research, particularly mechanistic mathematical modeling. Here we address challenges that limit the use of computational modeling methods, particularly mechanistic mathematical modeling. We divide computational modeling techniques into either pattern models (e.g., bioinformatics, machine learning, or morphology) or mechanistic mathematical models (e.g., biochemical reactions, biophysics, or population models), which both contribute to plant biology research at different scales to answer different research questions. We present arguments and recommendations for the increased adoption of modeling by plant biologists interested in incorporating more modeling into their research programs. As some researchers find math and quantitative methods to be an obstacle to modeling, we provide suggestions for easy-to-use tools for non-specialists and for collaboration with specialists. This may especially be the case for mechanistic mathematical modeling, and we spend some extra time discussing this. Through a more thorough appreciation and awareness of the power of different kinds of modeling in plant biology, we hope to facilitate interdisciplinary, transformative research.

58 GEOSCIENCES↗
DOE OSTI2012

GIF sodium fast reactor project R and D on safety and operation

The 'Safety and Operation' project is started in 2009 within the framework of Generation-IV International Forum (GIF) Sodium Fast Reactor (SFR) research and development program. In the safety area, the project involves R and D activities on phenomenological model development and experimental programs, conceptual studies in support of the design of safety provisions, preliminary assessment of safety systems, framework and methods for analysis of safety architecture. In the operation area, the project involves R and D activities on fast reactors safety tests and analysis of reactor operations, feedback from decommissioning, in-service inspection technique development, under-sodium viewing and sodium chemistry. This paper presents a summary of such activities and the main achievements. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Usability and Optimization Improvements in MOOSE

The Multiphysics Object-Oriented Simulation Environment (MOOSE) framework is a foundational capability used by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to create over 15 different simulation tools for advanced nuclear reactors. Due to MOOSE’s broad use, improvements to the framework in support of modeling and simulation goals are critical to the program. Such improvements can take many forms, including optimization, improved user experience, streamlined application programming interfaces (APIs), parallelism, and new capabilities. The work described in this report was conducted in direct support of the simulation tools and has already been deployed. The capabilities were implemented in the same order as they are covered in this report: multiple nonlinear systems in the same input file, implementation of generic field transfers and other transfer system enhancements, support for stateful material property redistribution for adaptivity and distributed meshes, and dynamic linking and loading of individually compiled applications. These four additions are fundamental capabilities that will be leveraged by many NEAMS applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

A Comparative Study of Multi-material Data Structures for Computational Physics Applications

The data structures used to represent the multi-material state of a computational physics application can have a drastic impact on the performance of the application. We look at efficient data structures for sparse applications where there may be many materials, but only one or few in most computational cells. We develop simple performance models for use in selecting possible data structures and programming patterns. We verify the analytic models of performance through a small test program of the representative cases.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Surrogate Models for TREAT Transient Calculations

The Transient Reactor Test Facility (TREAT) at Idaho National Laboratory (INL) is currently preparing for resumption of operation after more than 20 years in a long-term standby state. In parallel with preparation for operations and a new transient testing program, the DOE-NE Advanced Modeling and Simulation program (NEAMS) has been supporting the development of three-dimensional transient multi-physics modeling capabilities within the reactor physics application MAMMOTH [1]. Recently, the MAMMOTH reactor physics team has begun development of uncertainty and sensitivity analysis for the TREAT core. This research will be used to support the analysis of reactor operation and experiment planning. Traditional approaches, i.e., Monte Carlo simulations, for such tasks require a large number of model evaluations under both steady state and transient conditions. However, exhaustive sets of sampling runs are simply not practical here since evaluations of each model can take a substantial amount of time. A solution to this problem is to build a surrogate model employing a smaller number of model evaluations. The surrogate model is designed to provide an accurate and fast approximation to the detailed TREAT model. In this manner, the surrogate model can be used in place of the TREAT transient model for uncertainty and sensitivity analysis at a fraction of the computational cost. The high dimensional model representation (HDMR) [2] method is employed here for approximating the responses of interest in terms of functions of lower dimensions. This method has been implemented in RAVEN [3] and all TREAT transient calculations are performed using the multiphysics code MAMMOTH. In addition, a code interface has also been developed in order to couple RAVEN with MAMMOTH. The surrogate model is then tested and compared for the MAMMOTH model of the TREAT startup testing program Transient Test #15 core [4], and its accuracy is measured by its ability to estimate the mean, coefficient of variance, skewness, excess kurtosis and probability density function of the outputs of Transient Test #15 model, as well as root mean square error metric.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2014

Automated identification of elemental ions in macromolecular crystal structures

The solvent-picking procedure in phenix.refine has been extended and combined with Phaser anomalous substructure completion and analysis of coordination geometry to identify and place elemental ions. Many macromolecular model-building and refinement programs can automatically place solvent atoms in electron density at moderate-to-high resolution. This process frequently builds water molecules in place of elemental ions, the identification of which must be performed manually. The solvent-picking algorithms in phenix.refine have been extended to build common ions based on an analysis of the chemical environment as well as physical properties such as occupancy, B factor and anomalous scattering. The method is most effective for heavier elements such as calcium and zinc, for which a majority of sites can be placed with few false positives in a diverse test set of structures. At atomic resolution, it is observed that it can also be possible to identify tightly bound sodium and magnesium ions. A number of challenges that contribute to the difficulty of completely automating the process of structure completion are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2010

Modeling and Analysis of CSP Systems (Fact Sheet)

Fact sheet describing NREL CSP Program capabilities in the area of modeling and analysis of CSP systems: assessing the solar resource, predicting performance and cost, studying environmental impact, and developing modeling software packages.

14 SOLAR ENERGY↗
DOE OSTI2018

Mathematical Modeling of Nonstationary Separation Processes in a Cascade of Gas Centrifuges for Separation of Tungsten Isotopes

We have developed and program-realized a mathematical model of nonstationary separation processes proceeding in cascades of gas centrifuges for separation of multicomponent isotope mixtures. With the help of this model we have calculated the parameters of nonstationary separation processes proceeding in the cascades of gas centrifuges for tungsten isotope separation. It has been shown that the model adequately describes the nonstationary processes in the cascade and is suitable for calculating their parameters during separation of multicomponent isotope mixtures.

42 ENGINEERING↗
DOE OSTI2014

End-User Evaluation of SHARP for Analysis of Sodium-Cooled Fast Reactors

The DOE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program is developing the SHARP toolkit to support growing reactor analysis needs in other programs. Although SHARP includes physics modules—especially the computational fluid dynamics code Nek5000 and the structural mechanics tools in Diablo—that have an existing user-base in other fields, most of the analysis and validation efforts for nuclear reactor applications have been performed by members of SHARP’s own development team. The SHARP development team includes engineers and computational scientists from a diverse set of backgrounds, including nuclear engineering. However, before the SHARP tools can be adopted by the Advanced Reactor Technology (ART) program to support the analysis of sodium-cooled fast reactors (SFRs), it would be beneficial for an outside set of analysts and engineers to begin using SHARP and providing feedback to both programs. The authors of this report were charged with learning to use SHARP, applying SHARP to SFR analyses of interest to ART, evaluating the tools, and providing a set of recommendations and requirements to guide future development efforts by the NEAMS program. The authors are engineers (nuclear, mechanical, and civil) by training; all have experience in modeling and simulation for nuclear energy applications; all have either supported ART directly or report to a supervisor who does. This report is a formal summary of the findings of this team of engineers—the potential end-users of SHARP for ART activities. In an informal way, this effort also opened up communication lines between the SHARP developers and ART engineers, which will continue beyond the scope of this effort.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗