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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Numerical simulation projects in micromagnetics with Jupyter

We report a case study where an existing materials science course was modified to include numerical simulation projects on the micromagnetic behavior of materials. The Ubermag micromagnetic simulation software package is used in order to solve problems computationally. The simulation software is controlled through the Python code in Jupyter notebooks. Our experience is that the self-paced problem-solving nature of the project work can facilitate a better in-depth exploration of the course contents. We discuss which aspects of the Ubermag and the project Jupyter ecosystem have been beneficial for the students' learning experience and which could be transferred to similar teaching activities in other subject areas.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Abstractions and Directives for Adapting Wavefront Algorithms to Future Architectures

Architectures are rapidly evolving, and exascale machines are expected to offer billion-way concurrency. We need to rethink algorithms, languages and programming models among other components in order to migrate large scale applications and explore parallelism on these machines. Although directive-based programming models allow programmers to worry less about programming and more about science, expressing complex parallel patterns in these models can be a daunting task especially when the goal is to match the performance that the hardware platforms can offer. One such pattern is wavefront. This paper extensively studies a wavefront-based miniapplication for Denovo, a production code for nuclear reactor modeling. We parallelize the Koch-Baker-Alcouffe (KBA) parallel-wavefront sweep algorithm in the main kernel of Minisweep (the miniapplication) using CUDA, OpenMP and OpenACC. Our OpenACC implementation running on NVIDIA's next-generation Volta GPU boasts an 85.06x speedup over serial code, which is larger than CUDA's 83.72x speedup over the same serial implementation. Our experimental platform includes SummitDev, an ORNL representative architecture of the upcoming Summit supercomputer. Our parallelization effort across platforms also motivated us to define an abstract parallelism model that is architecture independent, with a goal of creating software abstractions that can be used by applications employing the wavefront sweep motif.

Searles, Robert↗
DOE OSTI2021

MFDn Kernels v1.0

MFDn kernels is a collection of small subroutines designed to capture essential characteristics of the Many-Fermion Dynamics---nuclear (MFDn) application (DOI: 10.1016/j.procs.2010.04.012). It features multiple implementations with different programming models/languages of simplified routines analogous to those found in the full application. The main use is to explore the performance and utility of different programming models, languages and compilers.

Cook, Brandon↗
DOE OSTI2013

Final Report: Super Instruction Architecture for Scalable Parallel Computations

The most advanced methods for reliable and accurate computation of the electronic structure of molecular and nano systems are the coupled-cluster techniques. These high-accuracy methods help us to understand, for example, how biological enzymes operate and contribute to the design of new organic explosives. The ACES III software provides a modern, high-performance implementation of these methods optimized for high performance parallel computer systems, ranging from small clusters typical in individual research groups, through larger clusters available in campus and regional computer centers, all the way to high-end petascale systems at national labs, including exploiting GPUs if available. This project enhanced the ACESIII software package and used it to study interesting scientific problems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

STREAM2016: Streaming Requirements, Experience, Applications and Middleware Workshop

The Department of Energy (DOE) Office of Science (SC) facilities including accelerators, light sources and neutron sources and sensors that study, the environment, and the atmosphere, are producing streaming data that needs to be analyzed for next-generation scientific discoveries. There has been an explosion of new research and technologies for stream analytics arising from the academic and private sectors. However, there has been no corresponding effort in either documenting the critical research opportunities or building a community that can create and foster productive collaborations. The two-part workshop series, STREAM: Streaming Requirements, Experience, Applications and Middleware Workshop (STREAM2015 and STREAM2016), were conducted to bring the community together and identify gaps and future efforts needed by both NSF and DOE. This report describes the discussions, outcomes and conclusions from STREAM2016: Streaming Requirements, Experience, Applications and Middleware Workshop, the second of these workshops held on March 22-23, 2016 in Tysons, VA. STREAM2016 focused on the Department of Energy (DOE) applications, computational and experimental facilities, as well software systems. Thus, the role of “streaming and steering” as a critical mode of connecting the experimental and computing facilities was pervasive through the workshop. Given the overlap in interests and challenges with industry, the workshop had significant presence from several innovative companies and major contributors. The requirements that drive the proposed research directions, identified in this report, show an important opportunity for building competitive research and development program around streaming data. These findings and recommendations are consistent with vision outlined in NRC Frontiers of Data and National Strategic Computing Initiative (NCSI) [1, 2]. The discussions from the workshop are captured as topic areas covered in this report's sections. The report discusses four research directions driven by current and future application requirements reflecting the areas identified as important by STREAM2016. These include (i) Algorithms, (ii) Programming Models, Languages and Runtime Systems (iii) Human-in-the-loop and Steering in Scientific Workflow and (iv) Facilities.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2018

Rust in HPC

No abstract provided.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Nodeworks Introduction

Explore the source record for details and available documents.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

NWGraph: A Library of Generic Graph Algorithms and Data Structures in C++20

The C++ Standard Library is a valuable collection of generic algorithms and data structures that improves the usability and reliability of C++ software. Graph algorithms and data structures are notably absent from the standard library, and previous attempts to fill this gap have not gained widespread adoption. In this paper we show that the richness of graph algorithms and data structures can in fact be captured by straightforward composition of existing C++ mechanisms. Generic programming is algorithm-oriented. Accordingly, we apply a systematic approach to analyzing a broad set of graph algorithms, “lift” unnecessary constraints from them, and organize the resulting set of minimal common type requirements, i.e., concepts, for defining their interfaces. By using the newly available ranges and concepts in C++20, the type requirements for generic graph algorithms can be succinctly expressed. The generic algorithms and data structures resulting from our analysis are realized in NWGraph, in a modern, composable, and extensible C++ library.

graphs and networks, programming language, C++20↗
DOE OSTI2019

Distributions of the Mean for Lognormally Distributed Data - 19427

In environmental sciences, a distribution of the mean is often needed for right-skewed data. For example, risk assessments are often based on distributions of the mean to obtain upper confidence limits (UCLs) for analyte concentrations, and, in probabilistic performance assessment (PPA) models, parameters are given distributions rather than deterministic values, and they are usually given distributions of their mean rather than the population distributions to account for the large spatial and temporal domains to which they are applied. How this distribution of the mean is developed depends on the characteristics of the parameter's full distribution and how the parameter relates to its use. In this presentation, I will discuss the implications of a right skew in distribution development. Parameters may vary over orders of magnitude and/or may be right-skewed. The material property of saturated hydraulic conductivity, Ks, is a prime example of such a parameter. Right-skewed parameters are often assumed to follow lognormal distributions. If X follows a lognormal distribution, then log(X) follows a normal distribution. For some right-skewed parameters, practitioners go back and forth between the two forms of the data depending on their needs. For example, it may be preferred to use the untransformed version of X in a model or equation, but it is easier to visualize the parameter values on a logarithmic scale. However, distribution development for the average value of the parameter will differ depending on whether X or log(X) is modeled. This difference is due to Jensen's Inequality, a theorem which states that the expected value of a concave function of a variable is less than or equal to the same function of the expected value of the variable; a logarithm is a concave function. In other words, the mean of log(X) is always less than or equal to the log of the mean of X and therefore the mean estimated from a distribution based on log(X) is less than or equal to the mean estimated from a distribution based on X. If a parameter is naturally considered on a log scale by subject matter experts, then distributions developed for the mean of log(X) may be more consistent with the use of the parameters in the literature than distributions developed for X. The statistical decisions of distribution development will be discussed within the context of right-skewed, lognormal data. These issues include method-of-moments versus maximum likelihood estimation of the distribution parameters and the use of bootstrapping to aid in the visualization of a distribution of the mean. The details surrounding Jensen's Inequality will be explained and visualized within the context of distribution development of a right-skewed parameter such as saturated hydraulic conductivity. (authors)

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Design and implementation of HuREX analysis supporting interface - 171

Human error is recognized as one of the main causes to affect to the socio-technical system including nuclear power plant. Therefore, reducing human error through human reliability analysis (HRA) is a critical issue. Moreover, sufficient and reliable human performance data collection is a prerequisite for ensuring the safety of nuclear power plants. Korea Atomic Energy Research Institute developed the HuREX (Human Reliability data Extraction) framework to collect and analyze the responses of human operators from simulator training records of nuclear power plant. Thus, the development and computer software interfaces of the database are essential to efficiently support human reliability analysis. In this study, OPERA database was developed in accordance with the following process. First, the essential data required for the HRA analysis (e.g., plant data, procedures, system and equipment info, operating crews, results of simulator experiments, and so forth) was stored in the database. In addition, standardized procedures and related items were stored in the database to support HRA quantification. A data structure was developed to store crew responses conducted by operators to cope with an emergency situation during simulator experiments. In addition, various interfaces that escalate efficiency of the HuREX applications were developed. The HuREX analysis support interface was developed with HuREX Video Analyzer for observation of simulator collection data (e.g., audio-visual records, plant parameters, operator's action logs) and HuREX Data Analyzer for analysis of operator's conducted task. By using the OPERA database and HuREX analysis support interface developed through this research, maximizing the efficiency of human reliability analysis based on simulator training data. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

Characterizing Fluence as a Function of Areal Density for 1 and 14 MeV Neutrons Transported Through Air

Computing neutron dosimetry involves transporting neutrons [n] from a source to a sink, determining the neutron heating within the sink and multiplying the neutron heating by a quality factor to compute the dose equivalent. The space and energy dependent neutron fluence is a measure of the amount of neutrons crossing a particular surface area, about a particular energy and is given in units of [n/cm{sup 2}]. Microscopic cross sections are given in units of area and vary by isotope and reaction type as a function of energy. The product of the atom density of a particular atom in a specie and the microscopic cross section of a particular reaction results in the macroscopic cross section of a particular reaction, given in units of per length [1/cm] as a function of energy. Summing the macroscopic cross sections of all isotopes, and all collisions resulting in heating, within a volume, results in a total collision heating macroscopic cross section for that volume. The product of the energy and spatial dependent collision heating macroscopic cross section and the energy and spatial dependent fluence, within an energy group, results in a collision heating reaction density for that particular reaction in that energy group. Weighting each energy group's collision heating reactions, with the corresponding energy dependent particle damage per collision heating event (usually biological damage), and then integrating over energy and volume results in the delivered dose. Therefore understanding dose delivery involves examining the spatial and energy (and time) dependent fluence behavior. Because of the coupled energy and space dependence of the heating weighting and macroscopic cross sections, the fluence is not so easily separable in energy and space; however, the energy integrated fluence can be used as a first order approximation of the relative magnitude of reactions as a function of space. Here we examine the first part in the dosimetry calculation process, transporting neutrons from source to sink, as applied to neutron transport in air, examining characteristics of the fluence. Presented here is analysis regarding the nature of the fluence peak between 10 g/cm{sup 2} and 100 g/cm{sup 2} for a typical air transport calculation. Due to the high concentration of nitrogen and oxygen isotopes of these elements, these isotopes tend to dominate the transport. From the analysis presented here, the fluence peak is the result of scatter back and forth across the peak regime, and (n,2n) has a minimal (<4%) contribution. Further evidence of minimal (n,2n) impact in the 10-100 g/cm{sup 2} span includes the 1 MeV fluence peak being so much larger than the 14 MeV peak; where 1 MeV is not above the (n,2n) threshold. Also presented here is the usefulness of using tally tagging with cell flagging to further dissect the nature of the fluence. These technologies allow us to understand the originating volume that makes a contribution to a scoring regime. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2016

Large Eddy Simulations for a Helical Coil Steam Generator

The desire for scalable power plants in remote locations and specialized applications has brought forth the small modular reactor (SMR). Now, smaller light water reactors are seen as viable means for meeting global energy requirements. Generally, straight or U-shape tubes are used to exchange heat from the primary to secondary coolant; however this is not ideal when size is a criterion. Helical coil steam generators (HCSGs) are advantageous for SMRs due to their enhanced heat transfer in compact spaces. Still, there is the concern of safety as steam generator tubes could rupture due to vibrations and fatigue on the material. Understanding flow characteristics and quantifying pressures for these tubes are important components for the design of safety and efficiency in these steam generators. The current study uses the spectral element computational fluid dynamic (CFD) code, Nek5000, to develop large eddy simulations (LES) for validation against experiments that will be conducted at Texas A and M University. Time-averaged pressure data will be compared with pressure tap readings, and velocity profile with particle image velocimetry (PIV) measurements. The presented preliminary results investigate the differences between 5.-, 7.-, and 9.-order polynomial simulations. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

A Theoretical Investigation of the Chemical Behaviour of Irradiated U-Mo/Mg Fuel

A significant international effort has been put forth to replace Highly Enriched Uranium (HEU) fuel used in research and test reactors with Low Enriched Uranium (LEU) fuel to reduce proliferation concerns. Furthermore, some fuel processing issues have been encountered with some LEU candidate fuel designs. In order to address both of the foregoing issues, new fuel designs must be developed. One of these designs has U-Mo particles dispersed in a Mg matrix (U-Mo/Mg) that is cladded in an Al-alloy. While characterization analyses and thermophysical measurements have been reported for fresh U-Mo/Mg fuel, the effects of irradiation are not yet well known nor are they understood. Given that earlier international campaigns that investigated U-Mo/Al as a candidate fuel design resulted in consistent failures due to the formation of an interaction layer between the U-Mo fuel particles and Al meat, it seems prudent to theorize and predict any phases that may form as a result of irradiation of U-Mo/Mg fuel. The formation of these phases and any interaction that they may have with the cladding may potentially affect the reliability of this fuel design. This short paper provides a preliminary theoretical framework for the prediction of minor phases that may appear in irradiated U-Mo/Mg research reactor fuel, which should be confirmed via postirradiation examination at a later time.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

High-Fidelity Modeling of a Type-5 Wind Turbine Gearbox

Type-5 wind turbines are characterized by their use of a hydraulic torque converter and permanent synchronous generator. This combination promotes steady and grid-ready energy without the use of a power converter. Thus, researchers were prompted to study the potential impact on grid reliability, stability, and resilience using a Real Time Digital Simulator (RTDS) model of the type-5 turbine, including a high-fidelity model of its gear box.

13 - HYDRO ENERGY↗
DOE OSTI2023

Cybersecurity Considerations for State Procurement of Solar Assets

This tool provides an overview of existing procurement programs and example language that prioritizes cybersecurity language and references that can readily be applied to state solar cybersecurity practices . The tool also identifies sample language for procurement agreements, contracts, and grants which can serve as lower entry points for state officials interested in pursuing this subject matter more immediately. As this approach may be novel for many states, the information therein should be considered as a model only . The programs and example language included are not exhaustive and should be evaluated in accordance with state processes and policies .

14 SOLAR ENERGY↗
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↗