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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

CSRI Summer Proceedings 2021

The Computer Science Research Institute (CSRI) brings university faculty and students to Sandia National Laboratories for focused collaborative research on Department of Energy (DOE) computer and computational science problems. The institute provides an opportunity for university researches to learn about problems in computer and computational science at DOE laboratories, and help transfer results of their research to programs at the labs. Some specific CSRI research interest areas are: scalable solvers, optimization, algebraic preconditioners, graph-based, discrete, and combinatorial algorithms, uncertainty estimation, validation and verification methods, mesh generation, dynamic load-balancing, virus and other malicious-code defense, visualization, scalable cluster computers, beyond Moore’s Law computing, exascale computing tools and application design, reduced order and multiscale modeling, parallel input/output, and theoretical computer science. The CSRI Summer Program is organized by CSRI and includes a weekly seminar series and the publication of a summer proceedings.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

CSRI Summer Proceedings 2021

The Computer Science Research Institute (CSRI) brings university faculty and students to Sandia National Laboratories for focused collaborative research on Department of Energy (DOE) computer and computational science problems. The institute provides an opportunity for university researches to learn about problems in computer and computational science at DOE laboratories, and help transfer results of their research to programs at the labs. Some specific CSRI research interest areas are: scalable solvers, optimization, algebraic preconditioners, graph-based, discrete, and combinatorial algorithms, uncertainty estimation, validation and verification methods, mesh generation, dynamic load-balancing, virus and other malicious-code defense, visualization, scalable cluster computers, beyond Moore’s Law computing, exascale computing tools and application design, reduced order and multiscale modeling, parallel input/output, and theoretical computer science. The CSRI Summer Program is organized by CSRI and includes a weekly seminar series and the publication of a summer proceedings.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

High-throughput screening tools facilitate calculation of a combined exposure-bioactivity index for chemicals with endocrine activity

High-throughput and computational tools provide a new opportunity to calculate combined bioactivity of exposure to diverse chemicals acting through a common mechanism. We used high throughput in vitro bioactivity data and exposure predictions from the U.S. EPA’s Toxicity and Exposure Forecaster (ToxCast and ExpoCast) to estimate combined estrogen receptor (ER) agonist activity of non-pharmaceutical chemical exposures for the general U.S. population. High-throughput toxicokinetic (HTTK) data provide conversion factors that relate bioactive concentrations measured in vitro (µM), to predicted population geometric mean exposure rates (mg/kg/day). These data were available for 22 chemicals with ER agonist activity and were estimated for other ER bioactive chemicals based on the geometric mean of HTTK values across chemicals. For each chemical, ER bioactivity across ToxCast assays was compared to predicted population geometric mean exposure at different levels of in vitro potency and model certainty. Dose additivity was assumed in calculating a Combined Exposure-Bioactivity Index (CEBI), the sum of exposure/bioactivity ratios. Combined estrogen bioactivity was also calculated in terms of the percent maximum bioactivity of chemical mixtures in human plasma using a concentration-addition model. Estimated CEBIs vary greatly depending on assumptions used for exposure and bioactivity. In general, CEBI values were <1 when using median of the estimated general population chemical intake rates, while CEBI were ≥1 when using the upper 95th confidence bound for those same intake rates for all chemicals. Concentration-addition model predictions of mixture bioactivity yield comparable results. Based on current in vitro bioactivity data, HTTK methods, and exposure models, combined exposure scenarios sufficient to influence estrogen bioactivity in the general population cannot be ruled out. Future improvements in screening methods and computational models could reduce uncertainty and better inform the potential combined effects of estrogenic chemicals.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRSDate not supplied

Rotating Detonation Rocket Engine (RDRE)

This poster is a general description of Rotating Detonation Rocket Engine task under the GCD project. It includes a brief summary of accomplishments for FY20. The scope of this work is to develop computational tools and design rules for RDRE’s.

Computational Fluid Dynamics↗
NASA NTRS1989

Error-Compensated Telescope

Proposed reflecting telescope includes large, low-precision primary mirror stage and small, precise correcting mirror. Correcting mirror machined under computer control to compensate for error in primary mirror. Correcting mirror machined by diamond cutting tool. Computer analyzes interferometric measurements of primary mirror to determine shape of surface of correcting mirror needed to compensate for errors in wave front reflected from primary mirror and commands position and movement of cutting tool accordingly.

Meinel, Aden B.↗
DOE OSTI2024

Scaling Ensembles of Data-Intensive Quantum Chemical Calculations for Millions of Molecules

Deep learning models are efficient computational tools that can accelerate the inverse design of molecules with desired functional properties by generating predictions at a fraction of the time required by traditional quantum chemical approaches. To ensure that a model maintains accuracy and transferability across broad regions of the chemical space explored during the inverse design, it must be trained on massively large volumes of simulation data. This requires running large-scale ensemble quantum chemical calculations on high-performance computing (HPC) systems for data collection. However, the efficient execution of such large ensemble calculations and the management of large volumes of output data require tools that can judiciously utilize computational resources and manage metadata overhead on the file system. Therefore, we present a high-performance, scalable, ensemble management framework for performing data-intensive quantum chemical electronic structure calculations for organic molecules. This framework provides abstractions to plug different ab initio, first principles, and first principles-based semi-empirical methods and executes them efficiently at large scale on HPC systems. It dynamically distributes tasks to resources and uses tiered storage for managing large collections of files. We employed this framework to process over ten million organic molecules and generate open-source datasets that provide UV-vis absorption spectra by running time-dependent density-functional tight-binding calculations. It is the largest database containing molecular optical spectra that were simulated with quantum chemical methods in a consistent manner.

Mehta, Kshitij↗
NASA NTRS1989

Radar transponder antenna pattern analysis for the space shuttle

In order to improve tracking capability, radar transponder antennas will soon be mounted on the Shuttle solid rocket boosters (SRB). These four antennas, each being identical cavity-backed helices operating at 5.765 GHz, will be mounted near the top of the SRB's, adjacent to the intertank portion of the external tank. The purpose is to calculate the roll-plane pattern (the plane perpendicular to the SRB axes and containing the antennas) in the presence of this complex electromagnetic environment. The large electrical size of this problem mandates an optical (asymptotic) approach. Development of a specific code for this application is beyond the scope of a summer fellowship; thus a general purpose code, the Numerical Electromagnetics Code - Basic Scattering Code, was chosen as the computational tool. This code is based on the modern Geometrical Theory of Diffraction, and allows computation of scattering of bodies composed of canonical problems such as plates and elliptic cylinders. Apertures mounted on a curved surface (the SRB) cannot be accomplished by the code, so an antenna model consisting of wires excited by a method of moments current input was devised that approximated the actual performance of the antennas. The improvised antenna model matched well with measurements taken at the MSFC range. The SRB's, the external tank, and the shuttle nose were modeled as circular cylinders, and the code was able to produce what is thought to be a reasonable roll-plane pattern.

Radcliff, Roger↗
NASA NTRS1992

Computer aided systems human engineering: A hypermedia tool

The Computer Aided Systems Human Engineering (CASHE) system, Version 1.0, is a multimedia ergonomics database on CD-ROM for the Apple Macintosh II computer, being developed for use by human system designers, educators, and researchers. It will initially be available on CD-ROM and will allow users to access ergonomics data and models stored electronically as text, graphics, and audio. The CASHE CD-ROM, Version 1.0 will contain the Boff and Lincoln (1988) Engineering Data Compendium, MIL-STD-1472D and a unique, interactive simulation capability, the Perception and Performance Prototyper. Its features also include a specialized data retrieval, scaling, and analysis capability and the state of the art in information retrieval, browsing, and navigation.

Boff, Kenneth R.↗
NASA NTRS1993

Computer Aided Control System Design (CACSD)

The design of modern aerospace systems relies on the efficient utilization of computational resources and the availability of computational tools to provide accurate system modeling. This research focuses on the development of a computer aided control system design application which provides a full range of stability analysis and control design capabilities for aerospace vehicles.

Stoner, Frank T.↗
NASA NTRS1992

Computer systems

In addition to the discussions, Ocean Climate Data Workshop hosts gave participants an opportunity to hear about, see, and test for themselves some of the latest computer tools now available for those studying climate change and the oceans. Six speakers described computer systems and their functions. The introductory talks were followed by demonstrations to small groups of participants and some opportunities for participants to get hands-on experience. After this familiarization period, attendees were invited to return during the course of the Workshop and have one-on-one discussions and further hands-on experience with these systems. Brief summaries or abstracts of introductory presentations are addressed.

Olsen, Lola↗
NASA NTRS1993

Computational mechanics analysis tools for parallel-vector supercomputers

Computational algorithms for structural analysis on parallel-vector supercomputers are reviewed. These parallel algorithms, developed by the authors, are for the assembly of structural equations, 'out-of-core' strategies for linear equation solution, massively distributed-memory equation solution, unsymmetric equation solution, general eigensolution, geometrically nonlinear finite element analysis, design sensitivity analysis for structural dynamics, optimization search analysis and domain decomposition. The source code for many of these algorithms is available.

Storaasli, Olaf O.↗
NASA NTRS1993

Computational mechanics analysis tools for parallel-vector supercomputers

Computational algorithms for structural analysis on parallel-vector supercomputers are reviewed. These parallel algorithms, developed by the authors, are for the assembly of structural equations, 'out-of-core' strategies for linear equation solution, massively distributed-memory equation solution, unsymmetric equation solution, general eigen-solution, geometrically nonlinear finite element analysis, design sensitivity analysis for structural dynamics, optimization algorithm and domain decomposition. The source code for many of these algorithms is available from NASA Langley.

Storaasli, O. O.↗
NASA NTRS2015

Simple Tool for Aircraft Noise-Reduction Route Design

The design of arrival and departure routes from an airport has to balance the conflicting requirements of fuel efficiency, airport capacity utilization and community emission and noise considerations. The commonly used tools for aircraft noise assessment are the FAA’s Integrated Noise Model (INM) and Aviation Environmental Design Tool (AEDT). These tools are suitable to generate precise noise contours. However, they are harder to use with other tools for route design optimization involving evaluation of a large number of aircraft trajectories. A simplified aircraft noise computation tool, named AIRNOISE, is developed for preliminary aircraft noise-reduction route design in this paper. AIRNOISE computes aircraft noise based on the same SAE-AIR-1845 procedures used by INM and AEDT. AIRNOISE does not consider components related to terrain and atmosphere adjustments. As a result, it is not only computationally efficient but also flexible to use for customized aircraft profiles. The aircraft noise results are compared with the FAA’s AEDT2b and show that the level of accuracy achieved by AIRNOISE can be used to reduce the number of route design options to a small number from a large pool for subsequent accurate analysis by INM.

Li, Jinhua↗
NASA NTRSDate not supplied

GlennICE 2.2 Capabilities and Results

GlennICE (Glenn Icing Computational Environment) is a computational tool designed to calculate ice growth on complex three-dimensional geometries using the input from a user-supplied computational fluid dynamics (CFD) solution for the geometry of interest. The NASA John H. Glenn Research Center at Lewis Field is developing this tool to aid those evaluating, designing and certifying aircraft, engines, and aircraft components for flight in icing conditions. This domestically available software is being developed to enable the introduction of new icing physics into a computational environment in a manner that is open for evaluation and eventual use by industry, academia, and other government organizations. This paper will document the current capabilities for version 2.1 of this software and provide example cases with comparison to available experimental data.

Icing↗
NASA NTRSDate not supplied

GlennICE 2.2 Capabilities and Results

GlennICE (Glenn Icing Computational Environment) is a computational tool designed to calculate ice growth on complex three-dimensional geometries using the input from a user-supplied computational fluid dynamics (CFD) solution for the geometry of interest. The NASA John H. Glenn Research Center at Lewis Field is developing this tool to aid those evaluating, designing and certifying aircraft, engines, and aircraft components for flight in icing conditions. This domestically available software is being developed to enable the introduction of new icing physics into a computational environment in a manner that is open for evaluation and eventual use by industry, academia, and other government organizations. This paper will document the current capabilities for version 2.1 of this software and provide example cases with comparison to available experimental data.

Icing↗
NASA NTRS2024

GlennICE Manual 4.1.0

GlennICE (Glenn Icing Computational Environment) is a computational tool designed to calculate ice growth on complex three-dimensional geometries using the input from a user-supplied computational fluid dynamics (CFD) solution for the geometry of interest. The NASA John H. Glenn Research Center at Lewis Field is developing this tool to aid those evaluating, designing and certifying aircraft, engines, and aircraft components for flight in icing conditions. This domestically available software is being developed to enable the introduction of new icing physics into a computational environment in a manner that is open for evaluation and eventual use by industry, academia, and other government organizations.

Icing↗
NASA NTRSDate not supplied

Improvements to GlennICE Collection Efficiency Algorithm

GlennICE (Glenn Icing Computational Environment) is a computational tool designed to calculate ice growth on complex three-dimensional geometries using the input from a user-supplied computational fluid dynamics (CFD) solution for the geometry of interest. The NASA John H. Glenn Research Center at Lewis Field is developing this tool to aid those evaluating, designing and certifying aircraft, engines, and aircraft components for flight in icing conditions. This domestically available software is being developed to enable the introduction of new icing physics into a computational environment in a manner that is open for evaluation and eventual use by industry, academia, and other government organizations. This paper will document recent improvements that reduce the number of trajectories needed to converge on collection efficiency. These improvements are documented using example cases with complex geometries.

Aircraft Icing↗
NASA NTRSDate not supplied

Improvements to GlennICE Collection Efficiency Algorithm

GlennICE (Glenn Icing Computational Environment) is a computational tool designed to calculate ice growth on complex three-dimensional geometries using the input from a user-supplied computational fluid dynamics (CFD) solution for the geometry of interest. The NASA John H. Glenn Research Center at Lewis Field is developing this tool to aid those evaluating, designing and certifying aircraft, engines, and aircraft components for flight in icing conditions. This domestically available software is being developed to enable the introduction of new icing physics into a computational environment in a manner that is open for evaluation and eventual use by industry, academia, and other government organizations. This paper will document recent improvements that reduce the number of trajectories needed to converge on collection efficiency. These improvements are documented using example cases with complex geometries.

Aircraft Icing↗