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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Analysis of Archived Prompt Pulse Data from the SNS HYSPEC Instrument - Paper 68

This is an investigation by the Neutronics team at the Spallation Neutron Source (SNS) to understand the Hybrid-Spectrometer (HYSPEC) pulsed background problem and ultimately lend qualitative insight toward future shielding considerations. The archived user data from HYSPEC was accessed and manipulated via Mantidplot. Algorithms have been written to identify the background feature, or 'prompt pulse', in these data files and how it fluctuates as a function of time. Correlations between these fluctuations and external/internal physical changes are being analyzed in an attempt to model the behavior of the pulsed background in the SNS target building. Understanding the contributing factors of the background may help mitigate current effects as well as potential effects in future target facilities. This information is initially being used to indicate how the local shielding arrangements and general geometry of the target building and/or greater facility affect the prompt pulse as received by HYSPEC. Additionally, this better understanding of the pulsed background will continue to help our team lend increasingly accurate advice concerning future shielding improvements, minimization of prompt pulse features in the HYSPEC data, other inelastic instruments in the current target facility and suggestions for second target station planning. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

A tool and a methodology to use macros for abstracting variations in code for different computational demands

Scientific software used on high-performance computing platforms is in a phase of transformation because of the combined increase in the heterogeneity and complexity of models and hardware platforms. Having separate implementations for different platforms can easily lead to combinatorial explosions; therefore, the computational science community has been looking for mechanisms to express code through abstractions that can be specialized for different platforms. Most existing approaches use template meta-programming in C++, and are, therefore language specific. Here, we have developed a tool that uses customized expansion of macros to mimic some of C++ behavior in other languages. It enables unification of any code variants that may be necessary to run efficiently on different target architectures and different computational environments through use of macros with multiple alternative definitions and ability to arbitrate on definition selection for expansion. Combined with two other tools, a custom runtime, and a user specified recipe translator, our custom macroprocessor becomes a part of an overall performance portability solution that does not depend on any specific programming language. We also use macros as code-shorthand that lets code snippets become building blocks that allow variations in control flow to explore performance options. We demonstrate use of macros in Flash-X, a multiphysics multicomponent code with many Fortran legacy components derived from an earlier community code FLASH.

Heterogenous computing↗
DOE OSTI2013

Cementitious Barriers Partnership (CBP): Training and Release of CBP Toolbox Software, Version 1.0 - 13480

The Cementitious Barriers Partnership (CBP) Project is a multi-disciplinary, multi-institutional collaboration supported by the Office of Tank Waste Management within the Office of Environmental Management of U.S. Department of Energy (US DOE). The CBP program has developed a set of integrated tools (based on state-of-the-art models and leaching test methods) that improve understanding and predictions of the long-term hydraulic and chemical performance of cementitious barriers used in nuclear applications. Tools selected for and developed under this program are intended to evaluate and predict the behavior of cementitious barriers used in near-surface engineered waste disposal systems for periods of performance up to or longer than 100 years for operating facilities and longer than 1,000 years for waste management purposes. CBP software tools were made available to selected DOE Office of Environmental Management and field site users for training and evaluation based on a set of important degradation scenarios, including sulfate ingress/attack and carbonation of cementitious materials. The tools were presented at two-day training workshops held at U.S. National Institute of Standards and Technology (NIST), Savannah River, and Hanford included LeachXS{sup TM}/ORCHESTRA, STADIUM{sup R}, and a CBP-developed GoldSim Dashboard interface. Collectively, these components form the CBP Software Toolbox. The new U.S. Environmental Protection Agency leaching test methods based on the Leaching Environmental Assessment Framework (LEAF) were also presented. The CBP Dashboard uses a custom Dynamic-link library developed by CBP to couple to the LeachXS{sup TM}/ORCHESTRA and STADIUM{sup R} codes to simulate reactive transport and degradation in cementitious materials for selected performance assessment scenarios. The first day of the workshop introduced participants to the software components via presentation materials, and the second day included hands-on tutorial exercises followed by discussions of enhancements desired by participants. Tools were revised based on feedback obtained during the workshops held from April through June 2012. The resulting improved CBP Software Toolbox, including evaluation versions of and LeachXS{sup TM}/ORCHESTRA and STADIUM{sup R} has been made available to workshop and selected other participants for further assessment. Inquiries about future workshops and requests for access to the Toolbox software can be made via the CBP web site [1]. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Sierra/Solid Mechanics 4.48 User's Guide

Sierra/SolidMechanics (Sierra/SM) is a Lagrangian, three-dimensional code for finite element analysis of solids and structures. It provides capabilities for explicit dynamic, implicit quasistatic and dynamic analyses. The explicit dynamics capabilities allow for the efficient and robust solution of models with extensive contact subjected to large, suddenly applied loads. For implicit problems, Sierra/SM uses a multi-level iterative solver, which enables it to effectively solve problems with large deformations, nonlinear material behavior, and contact. Sierra/SM has a versatile library of continuum and structural elements, and a large library of material models. The code is written for parallel computing environments enabling scalable solutions of extremely large problems for both implicit and explicit analyses. It is built on the SIERRA Framework, which facilitates coupling with other SIERRA mechanics codes. This document describes the functionality and input syntax for Sierra/SM.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Sierra/SolidMechanics 4.46 User's Guide

Sierra/SolidMechanics (Sierra/SM) is a Lagrangian, three-dimensional code for finite element analysis of solids and structures. It provides capabilities for explicit dynamic, implicit quasistatic and dynamic analyses. The explicit dynamics capabilities allow for the efficient and robust solution of models with extensive contact subjected to large, suddenly applied loads. For implicit problems, Sierra/SM uses a multi-level iterative solver, which enables it to effectively solve problems with large deformations, nonlinear material behavior, and contact. Sierra/SM has a versatile library of continuum and structural elements, and a large library of material models. The code is written for parallel computing environments enabling scalable solutions of extremely large problems for both implicit and explicit analyses. It is built on the SIERRA Framework, which facilitates coupling with other SIERRA mechanics codes. This document describes the functionality and input syntax for Sierra/SM.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Sierra/SolidMechanics 4.50 User's Guide

Sierra/SolidMechanics (Sierra/SM) is a Lagrangian, three-dimensional code for finite element analysis of solids and structures. It provides capabilities for explicit dynamic, implicit quasistatic and dynamic analyses. The explicit dynamics capabilities allow for the efficient and robust solution of models with extensive contact subjected to large, suddenly applied loads. For implicit problems, Sierra/SM uses a multi-level iterative solver, which enables it to effectively solve problems with large deformations, nonlinear material behavior, and contact. Sierra/SM has a versatile library of continuum and structural elements, and a large library of material models. The code is written for parallel computing environments enabling scalable solutions of extremely large problems for both implicit and explicit analyses. It is built on the SIERRA Framework, which facilitates coupling with other SIERRA mechanics codes. This document describes the functionality and input syntax for Sierra/SM.

42 ENGINEERING↗
DOE OSTI2019

Sierra/SolidMechanics 4.52 User's Guide

Sierra/SolidMechanics (Sierra/SM) is a Lagrangian, three-dimensional code for finite element analysis of solids and structures. It provides capabilities for explicit dynamic, implicit quasistatic and dynamic analyses. The explicit dynamics capabilities allow for the efficient and robust solution of models with extensive contact subjected to large, suddenly applied loads. For implicit problems, Sierra/SM uses a multi-level iterative solver, which enables it to effectively solve problems with large deformations, nonlinear material behavior, and contact. Sierra/SM has a versatile library of continuum and structural elements, and a large library of material models. The code is written for parallel computing environments enabling scalable solutions of extremely large problems for both implicit and explicit analyses. It is built on the SIERRA Framework, which facilitates coupling with other SIERRA mechanics codes. This document describes the functionality and input syntax for Sierra/SM.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Sierra/SolidMechanics 4.54 User's Guide

Sierra/SolidMechanics (Sierra/SM) is a Lagrangian, three-dimensional code for finite element analysis of solids and structures. It provides capabilities for explicit dynamic, implicit quasistatic and dynamic analyses. The explicit dynamics capabilities allow for the efficient and robust solution of models with extensive contact subjected to large, suddenly applied loads. For implicit problems, Sierra/SM uses a multi-level iterative solver, which enables it to effectively solve problems with large deformations, nonlinear material behavior, and contact. Sierra/SM has a versatile library of continuum and structural elements, and a large library of material models. The code is written for parallel computing environments enabling scalable solutions of extremely large problems for both implicit and explicit analyses. It is built on the SIERRA Framework, which facilitates coupling with other SIERRA mechanics codes. This document describes the functionality and input syntax for Sierra/SM.

42 ENGINEERING↗
DOE OSTI2020

Sierra/SolidMechanics 4.56.2 User's Guide

Sierra/SolidMechanics (Sierra/SM) is a Lagrangian, three-dimensional code for finite element analysis of solids and structures. It provides capabilities for explicit dynamic, implicit quasistatic and dynamic analyses. The explicit dynamics capabilities allow for the efficient and robust solution of models with extensive contact subjected to large, suddenly applied loads. For implicit problems, Sierra/SM uses a multi-level iterative solver, which enables it to effectively solve problems with large deformations, nonlinear material behavior, and contact. Sierra/SM has a versatile library of continuum and structural elements, and a large library of material models. The code is written for parallel computing environments enabling scalable solutions of extremely large problems for both implicit and explicit analyses. It is built on the SIERRA Framework, which facilitates coupling with other SIERRA mechanics codes . This document describes the functionality and input syntax for Sierra/SM.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Sierra/SolidMechanics 5.0 User's Guide

Sierra/SolidMechanics (Sierra/SM) is a Lagrangian, three-dimensional code for finite element analysis of solids and structures. It provides capabilities for explicit dynamic, implicit quasistatic and dynamic analyses. The explicit dynamics capabilities allow for the efficient and robust solution of models with extensive contact subjected to large, suddenly applied loads. For implicit problems, Sierra/SM uses a multi-level iterative solver, which enables it to effectively solve problems with large deformations, nonlinear material behavior, and contact. Sierra/SM has a versatile library of continuum and structural elements, and a large library of material models. The code is written for parallel computing environments enabling scalable solutions of extremely large problems for both implicit and explicit analyses. It is built on the SIERRA Framework, which facilitates coupling with other SIERRA mechanics codes. This document describes the functionality and input syntax for Sierra/SM.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Sierra/SolidMechanics 5.2 User's Guide

Sierra/SolidMechanics (Sierra/SM) is a Lagrangian, three-dimensional code for finite element analysis of solids and structures. It provides capabilities for explicit dynamic, implicit quasistatic and dynamic analyses. The explicit dynamics capabilities allow for the efficient and robust solution of models with extensive contact subjected to large, suddenly applied loads. For implicit problems, Sierra/SM uses a multi-level iterative solver, which enables it to effectively solve problems with large deformations, nonlinear material behavior, and contact. Sierra/SM has a versatile library of continuum and structural elements, and a large library of material models. The code is written for parallel computing environments enabling scalable solutions of extremely large problems for both implicit and explicit analyses. It is built on the SIERRA Framework, which facilitates coupling with other SIERRA mechanics codes. This document describes the functionality and input syntax for Sierra/SM.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Sierra/SolidMechanics 5.4 User's Guide

Sierra/SolidMechanics (Sierra/SM) is a Lagrangian, three-dimensional code for finite element analysis of solids and structures. It provides capabilities for explicit dynamic, implicit quasistatic and dynamic analyses. The explicit dynamics capabilities allow for the efficient and robust solution of models with extensive contact subjected to large, suddenly applied loads. For implicit problems, Sierra/SM uses a multi-level iterative solver, which enables it to effectively solve problems with large deformations, nonlinear material behavior, and contact. Sierra/SM has a versatile library of continuum and structural elements, and a large library of material models. The code is written for parallel computing environments enabling scalable solutions of extremely large problems for both implicit and explicit analyses. It is built on the SIERRA Framework, which facilitates coupling with other SIERRA mechanics codes. This document describes the functionality and input syntax for Sierra/SM.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Sierra/SolidMechanics 5.8 User's Manual

Sierra/SolidMechanics (Sierra/SM) is a Lagrangian, three-dimensional code for finite element analysis of solids and structures. It provides capabilities for explicit dynamic, implicit quasistatic and dynamic analyses. The explicit dynamics capabilities allow for the efficient and robust solution of models with extensive contact subjected to large, suddenly applied loads. For implicit problems, Sierra/SM uses a multi-level iterative solver, which enables it to effectively solve problems with large deformations, nonlinear material behavior, and contact. Sierra/SM has a versatile library of continuum and structural elements, and a large library of material models. The code is written for parallel computing environments enabling scalable solutions of extremely large problems for both implicit and explicit analyses. It is built on the SIERRA Framework, which facilitates coupling with other SIERRA mechanics codes. This document describes the functionality and input syntax for Sierra/SM.

42 ENGINEERING↗
DOE OSTI2022

Sierra/SolidMechanics 5.10 User's Guide

Sierra/SolidMechanics (Sierra/SM) is a Lagrangian, three-dimensional code for finite element analysis of solids and structures. It provides capabilities for explicit dynamic, implicit quasistatic and dynamic analyses. The explicit dynamics capabilities allow for the efficient and robust solution of models with extensive contact subjected to large, suddenly applied loads. For implicit problems, Sierra/SM uses a multi-level iterative solver, which enables it to effectively solve problems with large deformations, nonlinear material behavior, and contact. Sierra/SM has a versatile library of continuum and structural elements, and a large library of material models. The code is written for parallel computing environments enabling scalable solutions of extremely large problems for both implicit and explicit analyses. It is built on the SIERRA Framework, which facilitates coupling with other SIERRA mechanics codes. This document describes the functionality and input syntax for Sierra/SM.

42 ENGINEERING↗
DOE OSTI2023

Sierra/Solid Mechanics 5.16 User's Guide

Sierra/SolidMechanics (Sierra/SM) is a Lagrangian, three-dimensional code for finite element analysis of solids and structures. It provides capabilities for explicit dynamic, implicit quasistatic and dynamic analyses. The explicit dynamics capabilities allow for the efficient and robust solution of models with extensive contact subjected to large, suddenly applied loads. For implicit problems, Sierra/SM uses a multi-level iterative solver, which enables it to effectively solve problems with large deformations, nonlinear material behavior, and contact. Sierra/SM has a versatile library of continuum and structural elements, and a large library of material models. The code is written for parallel computing environments enabling scalable solutions of extremely large problems for both implicit and explicit analyses. It is built on the SIERRA Framework, which facilitates coupling with other SIERRA mechanics codes. This document describes the functionality and input syntax for Sierra/SM.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Electrochemical exsolution of metal nanoparticles from perovskite oxide upon electrolysis

Here, this study presents a comprehensive investigation into the electrochemical reduction of LSCF perovskite during electrolysis, aiming to understand the exsolution of metal nanoparticles. The exsolution of metal nanoparticles from perovskite electrodes can significantly enhance their electrochemical performance in electrolysis. By applying cathodic polarization to the perovskite oxide electrode, the exsolution process was shown to be electrochemically induced within a few minutes. Additionally, a user-designed X-ray absorption spectroscopy operando cell was employed to analyze the edge energy change of the B-site atoms during electrolysis. The electrochemical reduction of perovskite and the subsequent exsolution of the B-site metal nanoparticles were investigated by scanning the cell voltage, providing an understanding of the electrochemical behavior during electrolysis. The electrochemical switching point, characterized by a decrease in the incremental area-specific resistance, was identified. This study offers valuable insights into the electrochemical exsolution process of metal nanoparticles from perovskite oxide electrodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Bringing chemical structures to life with augmented reality, machine learning, and quantum chemistry

Visualizing 3D molecular structures is crucial to understanding and predicting their chemical behavior. However, static 2D hand-drawn skeletal structures remain the preferred method of chemical communication. Here, we combine cutting-edge technologies in augmented reality (AR), machine learning, and computational chemistry to develop MolAR, an open-source mobile application for visualizing molecules in AR directly from their hand-drawn chemical structures. Users can also visualize any molecule or protein directly from its name or protein data bank ID and compute chemical properties in real time via quantum chemistry cloud computing. MolAR provides an easily accessible platform for the scientific community to visualize and interact with 3D molecular structures in an immersive and engaging way.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Light Propagation Considerations For Internally Clad Sapphire Optical Fiber Using the 6Li(n,)3H Reaction

Optical frequency domain reflectometry measurements in internally clad single crystal sapphire fiber have received attention in recent years due to their high temperature distributed sensing potential. As work with these fibers has proceeded, there have been some inconsistencies in the results. Deeper investigation and testing has identified two critical considerations for the proper functioning of these fibers. First, users must address the propagation of multimode light along the outer surface of the fiber. Here, by observing the far-field image of an internally clad sapphire fiber when adding index matching fluid to the outer fiber surface, we demonstrate the effects of removing the higher order modes from these fibers. The addition of index matching fluid resulted in nearly single mode performance where multimode performance was previously observed. Second, users must address the effect that coupling the fiber to the interrogator via silica based fiber has on the internally clad sapphire fibers performance. Direct fusion splicing of silica to sapphire, as has been used in the recent work with these fibers, has a mode filtering effect which can be beneficial towards the modal behavior of the fibers. However, in this paper we demonstrate that the splicing can cause a sensing failure due to little or no low order mode light, that is useful for sensing, returning to the detector. The positive results from recent years have demonstrated that optical frequency domain reflectometry sensing performance will be successful in clad sapphire fiber; but only when the considerations described herein are addressed properly.

47 OTHER INSTRUMENTATION↗