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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 991 records · Page 55

Improved Blending-Function Algebraic Generation Of Grids

Method of algebraic generation of grids used in computing flows incorporates blending-function techniques to obtain high degree of orthogonality of each grid on its bounding surfaces and to blend grid smoothly, making it conform to all boundaries. Demonstrated in two dimensions, and applied in continuing development of software for real-time interactive generation of three-dimensional grids with color graphical displays. Software used routinely in generating grids for computing flows of practical interest.

Ching-Chung Luh, Raymond↗

A Graphical User-Interface for Propulsion System Analysis

NASA LeRC uses a series of computer codes to calculate installed propulsion system performance and weight. The need to evaluate more advanced engine concepts with a greater degree of accuracy has resulted in an increase in complexity of this analysis system. Therefore, a graphical user interface was developed to allow the analyst to more quickly and easily apply these codes. The development of this interface and the rationale for the approach taken are described. The interface consists of a method of pictorially representing and editing the propulsion system configuration, forms for entering numerical data, on-line help and documentation, post processing of data, and a menu system to control execution.

Curlett, Brian P.↗

A graphical user-interface for propulsion system analysis

NASA LeRC uses a series of computer codes to calculate installed propulsion system performance and weight. The need to evaluate more advanced engine concepts with a greater degree of accuracy has resulted in an increase in complexity of this analysis system. Therefore, a graphical user interface was developed to allow the analyst to more quickly and easily apply these codes. The development of this interface and the rationale for the approach taken are described. The interface consists of a method of pictorially representing and editing the propulsion system configuration, forms for entering numerical data, on-line help and documentation, post processing of data, and a menu system to control execution.

Curlett, Brian P.↗

Vidyut3d: A GPU accelerated fluid solver for non-equilibrium plasmas on adaptive grids

We present the numerical methods, programming methodology, verification, and performance assessment of a non-equilibrium plasma fluid solver that can effectively utilize current and upcoming central processing and graphics processing unit (CPU+GPU) architectures, in this work. Our plasma fluid model solves the coupled conservation equations for species transport, electrostatic Poisson and electron temperature on adaptive Cartesian grids. Our solver is written using performance portable adaptive-grid/particle management library, AMReX, and is portable over widely available vendor specific GPU architectures. We present verification of our solver using method of manufactured solutions that indicate formal second order accuracy with central diffusion and fifth-order weighted-essentially-non-oscillatory (WENO) advection scheme. We also verify our solver with published literature on capacitive discharges and atmospheric pressure streamer propagation. We demonstrate the use of our solver on two 3D simulation cases: an atmospheric streamer propagation in Ar-H2 mixtures and a low pressure three-electrode radio frequency reactor. Our performance studies on three different CPU+GPU architectures indicate ~ 150-400X speed-up using AMD and NVIDIA GPUs per time step compared to a single CPU core for a 4 million cell simulation with 15 species.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Regional-scale fault-to-structure earthquake simulations with the EQSIM framework: Workflow maturation and computational performance on GPU-accelerated exascale platforms

Continuous advancements in scientific and engineering understanding of earthquake phenomena, combined with the associated development of representative physics-based models, is providing a foundation for high-performance, fault-to-structure earthquake simulations. However, regional-scale applications of high-performance models have been challenged by the computational requirements at the resolutions required for engineering risk assessments. The EarthQuake SIMulation (EQSIM) framework, a software application development under the US Department of Energy (DOE) Exascale Computing Project, is focused on overcoming the existing computational barriers and enabling routine regional-scale simulations at resolutions relevant to a breadth of engineered systems. This multidisciplinary software development—drawing upon expertise in geophysics, engineering, applied math and computer science—is preparing the advanced computational workflow necessary to fully exploit the DOE’s exaflop computer platforms coming online in the 2023 to 2024 timeframe. Achievement of the computational performance required for high-resolution regional models containing upward of hundreds of billions to trillions of model grid points requires numerical efficiency in every phase of a regional simulation. This includes run time start-up and regional model generation, effective distribution of the computational workload across thousands of computer nodes, efficient coupling of regional geophysics and local engineering models, and application-tailored highly efficient transfer, storage, and interrogation of very large volumes of simulation data. This article summarizes the most recent advancements and refinements incorporated in the workflow design for the EQSIM integrated fault-to-structure framework, which are based on extensive numerical testing across multiple graphics processing unit (GPU)-accelerated platforms, and demonstrates the computational performance achieved on the world’s first exaflop computer platform through representative regional-scale earthquake simulations for the San Francisco Bay Area in California, USA.

58 GEOSCIENCES↗

Experimental investigation of a wall stablized arc with comparisons to theoretical predictions

A wall-stabilized, constricted-arc heater was investigated by extensive measurements of pressure, voltage, and wall heat flux at different axial locations along the constrictor. Radial temperature profiles were measured at one axial location by the radiance of a single line method and also by the continuum radiance at a wavelength of 4955 A. The arc heater with an inside diameter of 2.37 cm and a constrictor length of 42 cm was operated with nitrogen flow rate from about 2 to 10 g/sec, and are currents from 400 to 1200 amperes. Based on a literature search, two different digital computer programs were selected which were used to predict the pertinent parameters by numerical solutions to the governing differential equations. The program selections were based on completeness and availability. In general the predictions were adequate when laminar flow was assumed, and the greatest difficulty was encountered in the predictions of wall heat flux. The results of the measurements are shown in graphical form, along with the theoretical predictions from both computer programs.

Wells, W. L.↗

Program Aids Design Of Fluid-Circulating Systems

Computer Aided Systems Engineering and Analysis (CASE/A) program is interactive software tool for trade study and analysis, designed to increase productivity during all phases of systems engineering. Graphics-based command-driven software package provides user-friendly computing environment in which engineer analyzes performance and interface characteristics of ECLS/ATC system. Useful during all phases of spacecraft-design program, from initial conceptual design trade studies to actual flight, including pre-flight prediction and in-flight analysis of anomalies. Written in FORTRAN 77.

Bacskay, Allen↗

New computer system simplifies programming of mathematical equations

Automatic Mathematical Translator /AMSTRAN/ permits scientists or engineers to enter mathematical equations in their natural mathematical format and to obtain an immediate graphical display of the solution. This automatic-programming, on-line, multiterminal computer system allows experienced programmers to solve nonroutine problems.

Reinfelds, J.↗

Track reconstruction as a service for collider physics

Optimizing charged-particle track reconstruction algorithms is crucial for efficient event reconstruction in Large Hadron Collider (LHC) experiments due to their significant computational demands. Existing track reconstruction algorithms have been adapted to run on massively parallel coprocessors, such as graphics processing units (GPUs), to reduce processing time. Nevertheless, challenges remain in fully harnessing the computational capacity of coprocessors in a scalable and non-disruptive manner. This paper proposes an inference-as-a-service approach for particle tracking in high energy physics experiments. To evaluate the efficacy of this approach, two distinct tracking algorithms are tested: Patatrack, a rule-based algorithm, and Exa.TrkX, a machine learning-based algorithm. The as-a-service implementations show enhanced GPU utilization and can process requests from multiple CPU cores concurrently without increasing per-request latency. The impact of data transfer is minimal and insignificant compared to running on local coprocessors. This approach greatly improves the computational efficiency of charged particle tracking, providing a solution to the computing challenges anticipated in the High-Luminosity LHC era.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Numerical flow field visualization

The application of computer-generated imagery to analyze numerical solutions of fluid flow is presented. High-performance graphics workstations, their current capabilities, and their use in flow field analysis are discussed. Interactive flow field computations about complex three-dimensional bodies applying computer-generated imagery are projected for the future.

Smith, Robert E.↗

FAST User Guide

The Flow Analysis Software Toolkit, FAST, is a software environment for visualizing data. FAST is a collection of separate programs (modules) that run simultaneously and allow the user to examine the results of numerical and experimental simulations. The user can load data files, perform calculations on the data, visualize the results of these calculations, construct scenes of 3D graphical objects, and plot, animate and record the scenes. Computational Fluid Dynamics (CFD) visualization is the primary intended use of FAST, but FAST can also assist in the analysis of other types of data. FAST combines the capabilities of such programs as PLOT3D, RIP, SURF, and GAS into one environment with modules that share data. Sharing data between modules eliminates the drudgery of transferring data between programs. All the modules in the FAST environment have a consistent, highly interactive graphical user interface. Most commands are entered by pointing and'clicking. The modular construction of FAST makes it flexible and extensible. The environment can be custom configured and new modules can be developed and added as needed. The following modules have been developed for FAST: VIEWER, FILE IO, CALCULATOR, SURFER, TOPOLOGY, PLOTTER, TITLER, TRACER, ARCGRAPH, GQ, SURFERU, SHOTET, and ISOLEVU. A utility is also included to make the inclusion of user defined modules in the FAST environment easy. The VIEWER module is the central control for the FAST environment. From VIEWER, the user can-change object attributes, interactively position objects in three-dimensional space, define and save scenes, create animations, spawn new FAST modules, add additional view windows, and save and execute command scripts. The FAST User Guide uses text and FAST MAPS (graphical representations of the entire user interface) to guide the user through the use of FAST. Chapters include: Maps, Overview, Tips, Getting Started Tutorial, a separate chapter for each module, file formats, and system administration.

Walatka, Pamela P.↗

GX: a GPU-native gyrokinetic turbulence code for tokamak and stellarator design

GX is a code designed to solve the nonlinear gyrokinetic system for low-frequency turbulence in magnetized plasmas, particularly tokamaks and stellarators. In GX, our primary motivation and target is a fast gyrokinetic solver that can be used for fusion reactor design and optimization along with wide-ranging physics exploration. Here, this has led to several code and algorithm design decisions, specifically chosen to prioritize time to solution. First, we have used a discretization algorithm that is pseudospectral in the entire phase space, including a Laguerre–Hermite pseudospectral formulation of velocity space, which allows for smooth interpolation between coarse gyrofluid-like resolutions and finer conventional gyrokinetic resolutions and efficient evaluation of a model collision operator. Additionally, we have built GX to natively target graphics processors (GPUs), which are among the fastest computational platforms available today. Finally, we have taken advantage of the reactor-relevant limit of small $\rho _*$ by using the radially local flux-tube approach. In this paper we present details about the gyrokinetic system and the numerical algorithms used in GX to solve the system. We then present several numerical benchmarks against established gyrokinetic codes in both tokamak and stellarator magnetic geometries to verify that GX correctly simulates gyrokinetic turbulence in the small $\rho _*$. Moreover, we show that the convergence properties of the Laguerre–Hermite spectral velocity formulation are quite favourable for nonlinear problems of interest. Coupled with GPU acceleration, which we also investigate with scaling studies, this enables GX to be able to produce useful turbulence simulations in minutes on one (or a few) GPUs and higher fidelity results in a few hours using several GPUs. GX is open-source software that is ready for fusion reactor design studies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

ZMPY3D: accelerating protein structure volume analysis through vectorized 3D Zernike moments and Python-based GPU integration

Abstract Motivation Volumetric 3D object analyses are being applied in research fields such as structural bioinformatics, biophysics, and structural biology, with potential integration of artificial intelligence/machine learning (AI/ML) techniques. One such method, 3D Zernike moments, has proven valuable in analyzing protein structures (e.g., protein fold classification, protein–protein interaction analysis, and molecular dynamics simulations). Their compactness and efficiency make them amenable to large-scale analyses. Established methods for deriving 3D Zernike moments, however, can be inefficient, particularly when higher order terms are required, hindering broader applications. As the volume of experimental and computationally-predicted protein structure information continues to increase, structural biology has become a “big data” science requiring more efficient analysis tools. Results This application note presents a Python-based software package, ZMPY3D, to accelerate computation of 3D Zernike moments by vectorizing the mathematical formulae and using graphical processing units (GPUs). The package offers popular GPU-supported libraries such as CuPy and TensorFlow together with NumPy implementations, aiming to improve computational efficiency, adaptability, and flexibility in future algorithm development. The ZMPY3D package can be installed via PyPI, and the source code is available from GitHub. Volumetric-based protein 3D structural similarity scores and transform matrix of superposition functionalities have both been implemented, creating a powerful computational tool that will allow the research community to amalgamate 3D Zernike moments with existing AI/ML tools, to advance research and education in protein structure bioinformatics. Availability and implementation ZMPY3D, implemented in Python, is available on GitHub (https://github.com/tawssie/ZMPY3D) and PyPI, released under the GPL License.

Lai, Jhih-Siang (ORCID:0000000156775890)↗

Celeritas Midterm SciDAC Report

Celeritas is a new Monte Carlo (MC) code that helps satisfy the increasing demand for high energy physics (HEP) detector simulation, using Graphics Processing Unit (GPU) hardware on high performance computing (HPC) systems to model Large Hadron Collider (LHC) experiments and beyond. This report details the project’s progress midway through its SciDAC funding period, highlighting the first complete implementation of standard electromagnetic (EM) physics on GPUs, initial results for performance and scalability on Leadership Computing Facilities (LCFs), and preliminary integration into the CMS and ATLAS experiments. By integrating HEP domain knowledge with expertise in MC transport, Celeritas has catalyzed a shift in the HEP community’s perception of GPU platforms as the future for HPC simulations.

97 MATHEMATICS AND COMPUTING↗

Earth Reflected Solar Radiation Incident upon an Arbitrarily Oriented Spinning Flat Plate

A general derivation is given for the earth reflected solar radiation input to a flat plate--a solar cell paddle, for example--which is spinning about an axis coincident with the axis of symmetry of the satellite to which it is affixed. The resulting equations are written for the general case so that arbitrary orientations of the spin axis with respect to the earth-satellite line and arbitrary orientations of the normal to the plate with respect to the spin axis can be treated. No attempt is made to perform the resulting integrations because of the complexity of the equations; nor is there any attempt to delineate the integration limits for the general case. However, the equations governing these limits are given. The appendixes contain: the results, in graphical form, of two representative examples; the general computer program for the calculation is given in Fortran notation; and the results of a calculation of the distribution of albedo energy on the proposed Echo II satellite. The value of the mean solar constant used is 1.395 times 10 (sup 4) ergs per centimeters-squared per second; the mean albedo of the earth is assumed to be 0.34; and the earth is assumed to be a diffuse reflector.

SOLAR RADIATION↗

Development of medical data information systems

Computerized storage and retrieval of medical information is discussed. Tasks which were performed in support of the project are: (1) flight crew health stabilization computer system, (2) medical data input system, (3) graphic software development, (4) lunar receiving laboratory support, and (5) Statos V printer/plotter software development.

Anderson, J.↗

Attitude computation system

An attitude computation facility for the control of unmanned satellite missions is reported. The system's major components include: the ability to transfer the attitude data from the control center to the attitude computer at a rate of 2400 bps; an attitude computation center which houses communications, closed circuit TV, graphics devices and a data evaluation area; and the use of interactive graphics devices to schedule jobs and to control program flow.

Werking, R. D.↗

GEOS-C C-band transponder prelaunch calibration and test data

The delay characteristics and spacecraft telemetry housekeeping data for the GEOS-C C-Band transponders are presented. The data are presented in graphical form to provide a convenient method for computing radar range measurement corrections as a function of signal strength at the transponder and spacecraft environment. The data are also presented in tabular form along with the mathematical models used to derive the curves. Also included are a list of the operating characteristics of each transponder and a description of the calibration test equipment set-up.

Selser, A. R.↗