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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 361 records · Page 20

Transforming Energy through Computational Excellence. Exascale Computing: Combustion; Deep Learning for Presumed Probability Density Function (PDF) Models

NREL researchers use advanced machine learning techniques to define improved methods using deep learning models to resolve reacting flows in turbulent combustion flows, reducing the computational burden, increasing computational speed, and improving accuracy. These advancements reduce cost and improve fidelity of rapid-turn-around engineering calculations.

combustion↗

Aerodynamic Models for the Low Density Supersonic Decelerator (LDSD) Test Vehicles

An overview of aerodynamic models for the Low Density Supersonic Decelerator (LDSD) Supersonic Flight Dynamics Test (SFDT) campaign test vehicle is presented, with comparisons to reconstructed flight data and discussion of model updates. The SFDT campaign objective is to test Supersonic Inflatable Aerodynamic Decelerator (SIAD) and large supersonic parachute technologies at high altitude Earth conditions relevant to entry, descent, and landing (EDL) at Mars. Nominal SIAD test conditions are attained by lifting a test vehicle (TV) to 36 km altitude with a helium balloon, then accelerating the TV to Mach 4 and 53 km altitude with a solid rocket motor. Test flights conducted in June of 2014 (SFDT-1) and 2015 (SFDT-2) each successfully delivered a 6 meter diameter decelerator (SIAD-R) to test conditions and several seconds of flight, and were successful in demonstrating the SFDT flight system concept and SIAD-R technology. Aerodynamic models and uncertainties developed for the SFDT campaign are presented, including the methods used to generate them and their implementation within an aerodynamic database (ADB) routine for flight simulations. Pre- and post-flight aerodynamic models are compared against reconstructed flight data and model changes based upon knowledge gained from the flights are discussed. The pre-flight powered phase model is shown to have a significant contribution to off-nominal SFDT trajectory lofting, while coast and SIAD phase models behaved much as predicted.

Van Norman, John W.↗

Generalized skew-symmetric interfacial probability distribution in reflectivity and small-angle scattering analysis

Generalized skew-symmetric probability density functions are proposed to model asymmetric interfacial density distributions for the parameterization of any arbitrary density profiles in the `effective-density model'. The penetration of the densities into adjacent layers can be selectively controlled and parameterized. A continuous density profile is generated and discretized into many independent slices of very thin thickness with constant density values and sharp interfaces. The discretized profile can be used to calculate reflectivities via Parratt's recursive formula, or small-angle scattering via the concentric onion model that is also developed in this work.

36 MATERIALS SCIENCE↗

Thermospheric temperature, density, and composition: New models

The models essentially consist of two parts: the basic static models, which give temperature and density profiles for the relevant atmospheric constituents for any specified exospheric temperature, and a set of formulae to compute the exospheric temperature and the expected deviations from the static models as a result of all the recognized types of thermospheric variation. For the basic static models, tables are given for heights from 90 to 2,500 km and for exospheric temperatures from 500 to 2600 K. In the formulae for the variations, an attempt has been made to represent the changes in composition observed by mass spectrometers on the OGO 6 and ESRO 4 satellites.

Jacchia, L. G.↗

Atomic-Layer-Deposited Aluminum Oxide Thin Films Probed with X-ray Scattering and Compared to Molecular Dynamics and Density Functional Theory Models

A better understanding of amorphous aluminum oxide’s structure and electronic properties is obtained through combined experimental and computational approaches. Grazing incidence X-ray scattering measurements were carried out on aluminum oxide thin films grown using thermal atomic layer deposition. The corresponding pair distribution functions (PDFs) showed structures similar to previously reported PDFs of solid-state amorphous alumina and molten alumina. Structural models based on crystalline alumina polymorphs (PDFgui) and amorphous alumina (molecular dynamics, MD) were examined for structural comparisons to the experimental PDF data. Smaller MD models were optimized and verified against larger models to allow for quantum chemical electronic structure calculations. The electronic structure of the amorphous alumina models yields additional insight into the band structure and electronic defects present in amorphous alumina that are not present in crystalline samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Building surrogate models of nuclear density functional theory with Gaussian processes and autoencoders

From the lightest Hydrogen isotopes up to the recently synthesized Oganesson (Z = 118), it is estimated that as many as about 8,000 atomic nuclei could exist in nature. Most of these nuclei are too short-lived to be occurring on Earth, but they play an essential role in astrophysical events such as supernova explosions or neutron star mergers that are presumed to be at the origin of most heavy elements in the Universe. Understanding the structure, reactions, and decays of nuclei across the entire chart of nuclides is an enormous challenge because of the experimental difficulties in measuring properties of interest in such fleeting objects and the theoretical and computational issues of simulating strongly-interacting quantum many-body systems. Nuclear density functional theory (DFT) is a fully microscopic theoretical framework which has the potential of providing such a quantitatively accurate description of nuclear properties for every nucleus in the chart of nuclides. Thanks to high-performance computing facilities, it has already been successfully applied to predict nuclear masses, global patterns of radioactive decay like β or γ decay, and several aspects of the nuclear fission process such as, e.g., spontaneous fission half-lives. Yet, predictive simulations of nuclear spectroscopy—the low-lying excited states and transitions between them—or of nuclear fission, or the quantification of theoretical uncertainties and their propagation to basic or applied nuclear science applications, would require several orders of magnitude more calculations than currently possible. However, most of this computational effort would be spent into generating a suitable basis of DFT wavefunctions. Such a task could potentially be considerably accelerated by borrowing tools from the field of machine learning and artificial intelligence. In this paper, we review different approaches to applying supervised and unsupervised learning techniques to nuclear DFT.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗