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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1977

Computer image processing - The Viking experience

Computer processing of digital imagery from the Viking mission to Mars is discussed, with attention given to subjective enhancement and quantitative processing. Contrast stretching and high-pass filtering techniques of subjective enhancement are described; algorithms developed to determine optimal stretch and filtering parameters are also mentioned. In addition, geometric transformations to rectify the distortion of shapes in the field of view and to alter the apparent viewpoint of the image are considered. Perhaps the most difficult problem in quantitative processing of Viking imagery was the production of accurate color representations of Orbiter and Lander camera images.

Green, W. B.↗
DOE OSTI2019

Perspectives on Research in Computational Plasma Physics With Applications to Experiments

Computational plasma physics was born some 50 years ago with the development of high-speed computers. Computer simulation is well suited to the challenging nature of fundamental and applied plasma science, which exhibits enormous ranges of time and space scales, and whose underlying mathematical framework is comprised of nonlinear partial differential equations and nonlinear kinetic equations. Computational plasma physics has advanced from relatively simple calculations with limited dimensionality and scope to sophisticated and comprehensive simulation models. Moreover, computational plasma physics has matured as a significant scientific discipline with a rigorous mathematical foundation and voluminous literature. While computational plasma physics has greatly benefitted from the growth in computing capability by many orders of magnitude, the contributions from innovation in methods and algorithms have been no less important. This talk presents a personal perspective on the development and application of computational plasma physics to plasmas in nature and in the laboratory. The examples described will be based on experience over the course of a career in computational plasma physics and illustrate both the fundamental plasma phenomena and the behavior of laboratory plasmas. Some of the specific examples include simulations of microinstabilities in the magnetic mirror, tokamak and spheromak plasmas, laser-plasma interactions, and the Knudsen-layer phenomena, as it affects fusion performance. The examples also illustrate the development of appropriate models and algorithms that are well suited to simulating the phenomena of interest efficiently. Finally, a particular interest of the author has been the development of multiple time-scale algorithms.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Integrating computation and experiment to investigate photoelectrodes for solar water splitting at the microscopic scale.

CONSPECTUS: Photoelectrochemical water-splitting is a promising and sustainable way to store the energy of the sun in chemical bonds and use it to produce hydrogen gas, a clean fuel. The key components in photoelectrochemical cells (PECs) are photoelectrodes, including a photocathode that reduces water to hydrogen gas and a photoanode that oxidizes water to oxygen gas. Materials used in photoelectrodes for PECs must effectively absorb sunlight, yield photogenerated carriers, and exhibit electronic properties that enable the efficient shuttling of carriers to the surface to participate in relevant water-splitting reactions. Discovering and understanding the key characteristics of optimal photoelectrode materials is paramount to the realization of PEC technologies. Oxide-based photoelectrodes can satisfy many of these materials requirements, including stability in aqueous environments, band edges with reasonable alignment with the redox potentials for water splitting, and ease of synthesis. However, oxide photoelectrodes generally suffer from poor charge transport properties and considerable bulk electron-hole separation, and they have relatively large band gaps. Numerous strategies have been proposed to improve these aspects and understand how these improvements are reflected in the photoelectrochemical performance. Unfortunately, the structural and compositional complexity of multinary oxides accompanied by the inherent complexity of photoelectrochemical processes makes it challenging to understand the individual effects of composition, structure, and defects in the bulk and on the surface on a material's photoelectrochemical properties. The integration of experiment and theory has great potential to increase our atomic-level understanding of structure-composition-property relationships in oxide photoelectrodes. In this Account, we describe how integrating experiment and theory is beneficial for achieving scientific insights at the microscopic scale. We highlight studies focused on understanding the role of (i) bulk composition via solid-state solutions, intercalation, and comparison with isoelectronic compounds, (ii) dopants for both the anion and cation and their interactions with oxygen vacancies, and (iii) surface/interface structure in the photocurrent generation and photoelectrochemical performance in oxide photoelectrodes. In each instance, we outline strategies and considerations for integrating experiment and theory and describe how this integration led to valuable insights and new directions in uncovering structure-composition-property relationships. Our aim is to demonstrate the unique value of combining experiment and theory in studying photoelectrodes and to encourage the continued effort to bring experiment and theory in closer step with each other.

Wang, Wennie↗
DOE OSTI2022

Enhancing the connection between computation and experiments in electrocatalysis

Combining computational and experimental methods is a powerful approach to understand the variables that govern catalyst performance and ultimately design improved materials. However, the effectiveness of this approach rests on the strength of the relationships between calculated parameters and experimental measurements. These relationships are complicated by the intricacy and dynamic behaviour of catalytic active sites, and by the non-trivial relationship between calculated reaction energetics and observed rates. In this Perspective, we highlight opportunities to enhance the connection between computation and experiment in electrocatalysis. These include measuring the intrinsic kinetic behaviour of catalysts, creating precise models for the active site and its environment, and forming clear relationships between calculated reaction energetics and observed rates. As experimental and computational methods continue to become more powerful, clear connections between the two will maximize their utility to guide the design of efficient and selective electrocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

The Information Science Experiment System - The computer for science experiments in space

The concept of the Information Science Experiment System (ISES), potential experiments, and system requirements are reviewed. The ISES is conceived as a computer resource in space whose aim is to assist computer, earth, and space science experiments, to develop and demonstrate new information processing concepts, and to provide an experiment base for developing new information technology for use in space systems. The discussion covers system hardware and architecture, operating system software, the user interface, and the ground communication link.

Foudriat, Edwin C.↗
NASA NTRS1976

Comparison of a two-dimensional shock impingement computation with experiment

Results of computations of two-dimensional viscous blunt-body flowfields with an impinging shock wave, with a time-dependent finite-difference method employed to solve the complete set of Navier-Stokes equations, are compared with experimental results. The experimental results were obtained in a 20-inch hypersonic tunnel with a planar shock impinging on the cylindrical leading edge of a fin, hence with the shock parallel to the centerline of the leading edge, so that type III and type IV interference patterns were generated. Close agreement is found. The overall effects of smoothing and grid size on the calculations are determined. A 31 x 51 mesh is adequate for wall pressure values (except in peaked regions).

Tannehill, J. C.↗
NASA NTRS1995

Progress in Navier-Stokes Simulation of Delta Wing Maneuver Aerodynamics

This paper will summarize recent progress in the numerical simulation of high incidence vortical flow about a generic 65 degree sweep delta wing using the three dimensional, time-dependent, Reynolds averaged, Navier-Stokes (RANS) equations. Computations have been carried out at 15 and 30 degrees angle of attack under subsonic turbulent flow conditions, and compared with experimental data provided by Hanff, Jenkins, and their colleagues. This work has already been published elsewhere and widely disseminated. Computations carried out at 15 degrees angle of attack included static roll angles ranging up to 65 degrees, and a large-amplitude (40 degree), high rate (7 Hz), forced roll motion. There was very good agreement between computed and experimental forces and moments, and static surface pressures. There was a significant hysteresis of the dynamic rolling moment due to the high rate of roll motion. At this angle of attack, no vortex breakdown was observed in the computations or experiment. Computations were also carried out at 30 degrees angle of attack, where vortex breakdown was present in both the computations and experiment. There was overall good agreement in the computed and experimental forces and moments. The static rolling moment varied with roll angle in a highly nonlinear manner, and exhibited three stable trim points and two unstable trim points. This behavior was attributed to the presence of vortex breakdown. Two large-amplitude (30 degrees), high-rate (10 Hz) forced roll motions were computed. The dynamics of the vortex breakdown motion was dramatically visualized by tracking the time-dependent motion of particles released near the delta wing apex. This numerical visualization is analogous to experimental smoke flow techniques. In one of the dynamic cases the breakdown was found to move off the wing, convected downwind of the trailing edge, and later reformed near the trailing edge through an instability of the vortex core. A damped free-to-roll motion was also computed by releasing the wing from rest at 40 degrees of roll. The wing went to the same trim point as in the experiment.

Chaderjian, Neal M.↗
DOE OSTI2019

Combining Observational and Computational Uncertainty in Calibration Experiments

Traditional computer experiments using emulators have treat the emulator output as containing no error; however, this is not always feasible, as there exist computational codes which produce stochastic output, and future computations may require a balance between the time or resources to run the code and the accuracy of the output. This paper proposes a framework for incorporating both computational uncertainty and observational uncertainty into an analysis using a Gaussian process regression and calibration, and provides an example using simulated output from the one-dimensional diffusion equation. The particular values of observational and computation uncertainty which minimize a cost function are obtained.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Decomposition characteristics of C4F7N-based SF6-alternative gas mixtures

C4F7N [2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanenitrile]/CO2 gas mixtures are being developed as an eco-friendly electrical insulator to replace SF6, the most potent greenhouse industrial gaseous dielectric. However, recent studies have reported complicated and often conflicting decomposition pathways for C4F7N/CO2 gas mixtures, which has raised concerns. In this work, the decomposition characteristics of C4F7N/CO2 gas mixtures were studied comprehensively by both designed computations and experiments. Computations were performed starting from fundamental propositions of C4F7N/CO2 decompositions, which were further experimentally verified by pyrolysis, long-term thermal aging with/without catalytic materials (industrial-grade molecular sieves 4A), and electrical decomposition by spark discharge. The results of both computations and experiments suggest that in an ideal thermal decomposition, C4F7N is likely to decompose into C2F6 and small fluoronitriles first at high temperatures. The generation of C3F6 and C2N2 from C4F7N thermal decomposition at lower temperatures appears because of the catalytic effect of incompatible materials, for example, the industrial-grade molecular sieves 4A that we tested. The electron impact dissociation of C4F7N plays an important role in C4F7N electrical decomposition, leading to additional formation of distinctive small molecules of CF4 and C2N2 of low concentrations. It was pointed out based on a real arcing test in a load disconnector that the decomposition of C4F7N gas mixtures in real applications will be at a much moderate and manageable rate than what was obtained from the highly accelerated laboratory tests presented in this work. The signatures of decomposition products extracted in this study provide invaluable guidance for developing decomposition-based diagnosis and fixation of decomposition byproducts toward SF6-free power grids.

Physics↗
DOE OSTI2022

Scaled Vecchia Approximation for Fast Computer-Model Emulation

Many scientific phenomena are studied using computer experiments consisting of multiple runs of a computer model while varying the input settings. Gaussian processes (GPs) are a popular tool for the analysis of computer experiments, enabling interpolation between input settings, but direct GP inference is computationally infeasible for large datasets. We adapt and extend a powerful class of GP methods from spatial statistics to enable the scalable analysis and emulation of large computer experiments. Specifically, we apply Vecchia’s ordered conditional approximation in a transformed input space, with each input scaled according to how strongly it relates to the computer-model response. The scaling is learned from the data by estimating parameters in the GP covariance function using Fisher scoring. Our methods are highly scalable, enabling estimation, joint prediction, and simulation in near-linear time in the number of model runs. In several numerical examples, our approach substantially outperformed existing methods.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1994

Temperature prediction of space flight experiments by computer thermal analysis

Life sciences experiments are especially sensitive to temperature. A small temperature difference between otherwise identical samples can cause various differences in biological reaction rates. Knowledge of experimental temperatures and temperature histories help to distinguish the effects of microgravity and temperature on spaceflight experiments compared to ground based studies, and allow appropriate controls and sensitivity tests. Up to the present time, the Orbiter (Space Shuttle) has not generally provided temperature measurement instrumentation inside ambient lockers located in the Mid-deck of the Orbiter, or inside similar facilities such as Spacehab and Spacelab, but many pieces of hardware do have temperature recording capability. Most of these temperatures, however, have only been roughly measured or estimated. Such reported experimental temperatures, while accurate within a range of several degrees Celsius, are of limited utility to biological researchers. The temperature controlled lockers used in spaceflight, such as Commerical-Refrigeration Incubation Modules (C-R/IMs), severely reduce the mass and volume available for test samples and do not necessarily provide uniform thermal environments. While these test carriers avoid some of the experimental temperature variations of the ambient lockers, the number of samples which can be accommodated in these temperature controlled units is limited. In the present work, improved models of thermal prediction and control were sought. Temperatures are predicted by thermal analysis software using empirical temperatures recorded during STS-57. These temperatures are compared to data recorded throughout the mission using Ambient Temperature Recorders (ATRs) located within several payload lockers. Additional test cases are undertaken using controlled ground experiments to more precisely determine the reliability of the thermal model. The approach presented should increase the utility of various spaceflight carriers in the support of biological and material science research and ground control studies done in preparation for flight.

Birdsong, M. B.↗
DOE OSTI2025

pdas-experiments

SAND2025-04589O pdas-experiments automates computational experiments of fluid flow simulations. It uses the pressio-demoapps-schwarz package as a basis to break down complex simulations into smaller, manageable parts. This application is an extension of the Sandia Pressio software which uses domain decomposition to work with complex simulations more efficiently. Users can test different simulation setups, while keeping a detailed record of their experiments so they can be reproduced later. The software includes a C++ program that runs individual experiments based on user-defined settings in a YAML file, as well as a Python script that can manage multiple simulations at once. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Tezaur, Irina [Sandia National Lab. (SNL-CA), Live↗
NASA NTRS1976

Report on the solar physics-plasma physics workshop

The paper summarizes discussions held between solar physicists and plasma physicists on the interface between solar and plasma physics, with emphasis placed on the question of what laboratory experiments, or computer experiments, could be pursued to test proposed mechanisms involved in solar phenomena. Major areas discussed include nonthermal plasma on the sun, spectroscopic data needed in solar plasma diagnostics, types of magnetic field structures in the sun's atmosphere, the possibility of MHD phenomena involved in solar eruptive phenomena, the role of non-MHD instabilities in energy release in solar flares, particle acceleration in solar flares, shock waves in the sun's atmosphere, and mechanisms of radio emission from the sun.

Sturrock, P. A.↗
NASA NTRS1987

Data analysis and software support for the Earth radiation budget experiment

Computer programming and data analysis efforts were performed in support of the Earth Radiation Budget Experiment (ERBE) at NASA/Langley. A brief description of the ERBE followed by sections describing software development and data analysis for both prelaunch and postlaunch instrument data are presented.

Edmonds, W.↗
NASA NTRS2010

Numerical Simulations of the Boundary Layer Transition Flight Experiment

Computational Fluid Dynamics (CFD) simulations were used to study the possible effects that the Boundary Layer Transition (BLT) Flight Experiments may have on the heating environment of the Space Shuttle during its entry to Earth. To investigate this issue, hypersonic calculations using the Data-Parallel Line Relaxation (DPLR) and Langley Aerothermodynamic Upwind Relaxation (LAURA) CFD codes were computed for a 0.75 tall protuberance at flight conditions of Mach 15 and 18. These initial results showed high surface heating on the BLT trip and the areas surrounding the protuberance. Since the predicted peak heating rates would exceed the thermal limits of the materials selected to construct the BLT trip, many changes to the geometry were attempted in order to reduce the surface heat flux. The following paper describes the various geometry revisions and the resulting heating environments predicted by the CFD codes.

Tang, Chun Y.↗
DOE OSTI2022

Toward designing effective exascale scientific computing workflows: experiences and best practices

Many fields within scientific computing have embraced advances in big-data analysis and machine learning, which often requires the deployment of large, distributed and complicated workflows that may combine training neural networks, performing simulations, running inference, and performing database queries and data analysis in asynchronous, parallel and pipelined execution frameworks. Such a shift has brought into focus the need for scalable, efficient workflow management solutions with reproducibility, error and provenance handling, traceability, and checkpoint-restart capabilities, among other needs. Here, we discuss challenges and best-practices for deploying exascale-generation computational science workflows on resources at the Oak Ridge Leadership Computing Facility (OLCF). We present our experiences with large-scale deployment of distributed workflows on the Summit supercomputer, including for bioinformatics and computational biophysics, materials science, and deep learning model optimization. We also present problems and solutions created by working within a Python-centric software base on traditional HPC systems, and discuss steps that will be required before the convergence of HPC, AI, and data science can be fully realized. Our results point to a wealth of exciting new possibilities for harnessing this convergence to tackle new scientific challenges.

Coletti, Mark↗