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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Reimagining metal-organic framework discovery: Integrating experiment, computation, and artificial intelligence

The traditional development of novel metal–organic frameworks (MOFs) is often hindered by challenges such as synthetic accessibility and time- and resource-intensive experimentation. High-throughput, automated experimental and computational techniques have enabled rapid chemical space exploration and theoretical MOF design. When combined with artificial intelligence (AI), these methods can be used to lead autonomous laboratories to new frontiers for MOF discovery, where these materials can be designed for a specific application, efficiently synthesized, characterized, and evaluated. Here, this perspective highlights the role of AI in advancing automated MOF synthesis and characterization, computational MOF design and screening, and the integration of these approaches within autonomous workflows to ultimately enable the MOF laboratories of the future.

Gaidimas, Madeleine A. [Northwestern University, E↗
NASA NTRS1978

Computer experiments on the effect of retrograde stars in disk galaxies

Using large-scale N-body calculations for flat disk galaxies, we examine the effect of reversing the angular momentum for various fractions of the stars upon the global bar-forming mode. The initial conditions for these simulations are based on stationary states of two classes of models: the isochrones studied recently by Kalnajs by means of linear theory, and a model resembling the Schmidt model of our own Galaxy. In both cases, as the fraction of retrograde stars is increased, the growth of the bar-forming mode is inhibited (although not eliminated). These N-body results for the isochrones agree with the predictions of linear theory, quantitatively as well as qualitatively.

Zang, T. A.↗
NASA NTRS1999

Gravitational Acceleration Effects on Macrosegregation: Experiment and Computational Modeling

Experiments were performed under terrestrial gravity (1g) and during parabolic flights (10-2 g) to study the solidification and macrosegregation patterns of Al-Cu alloys. Alloys having 2% and 5% Cu were solidified against a chill at two different cooling rates. Microscopic and Electron Microprobe characterization was used to produce microstructural and macrosegregation maps. In all cases positive segregation occurred next to the chill because shrinkage flow, as expected. This positive segregation was higher in the low-g samples, apparently because of the higher heat transfer coefficient. A 2-D computational model was used to explain the experimental results. The continuum formulation was employed to describe the macroscopic transports of mass, energy, and momentum, associated with the solidification phenomena, for a two-phase system. The model considers that liquid flow is driven by thermal and solutal buoyancy, and by solidification shrinkage. The solidification event was divided into two stages. In the first one, the liquid containing freely moving equiaxed grains was described through the relative viscosity concept. In the second stage, when a fixed dendritic network was formed after dendritic coherency, the mushy zone was treated as a porous medium. The macrosegregation maps and the cooling curves obtained during experiments were used for validation of the solidification and segregation model. The model can explain the solidification and macrosegregation patterns and the differences between low- and high-gravity results.

Leon-Torres, J.↗
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.↗
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.↗
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↗