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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1978

Photometric studies of composite stellar systems. I - CO and JHK observations of E and S0 galaxies

Multiaperture infrared photometric observations of the central regions of 51 early-type galaxies and of the integrated light of five globular clusters are presented. These data are compared with selected optical observations and with various model predictions. The main results of the work are: (1) the observed parameters for the brighter galaxies, particularly the CO index and the V-K color, agree with the predictions of stellar synthesis models characterized by giant-dominated populations with mass/visual luminosity ratios less than 10; (2) the galaxian broad-band colors tend to redden with increasing luminosity and decreasing aperture size; (3) for the globular clusters, there is evidence that the integrated colors become redder with increasing metallicity; and (4) in bright galaxies the relative changes of U-V, V-J, and J-K as functions of radius may differ from the relative changes as functions of luminosity at a fixed radius.

Frogel, J. A.↗
NASA NTRS1984

Matrix Synthesis and Characterization

The role of NASA in the area of composite material synthesis; evaluation techniques; prediction analysis techniques; solvent-resistant tough composite matrix; resistance to paint strippers; acceptable processing temperature and pressure for thermoplastics; and the role of computer modeling and fiber interface improvement were discussed.

Source record↗
NASA NTRS1993

Near-IR imaging of moderate redshift galaxy clusters

We have obtained near-IR imaging of 3 moderate-z clusters on the 1.3 m at KPNO with SQIID, a new camera offering wide-field (5.5 arcmin) simultaneous JHK band imaging. Our photometry on a sample of approximately 100 likely member galaxies in one of the clusters, Abell 370 at z = 0.37, shows that we can obtain magnitudes good to 20 percent down to K = 18, considerably below the estimated K* = 16.5 at this redshift. These data indicate that there are no systematic problems in obtaining photometry at faint levels with SQIID. With the development of larger arrays, the field is open to progress. The resulting J, H, and K data for three clusters are combined with previously obtained multiband optical photometry. We present an investigation of the spectral properties and evolution of the dominant cold stellar populations by comparing optical-to-IR colors and color-magnitude diagrams to predictions from population synthesis models and galaxy spectral evolution codes.

Stanford, S. A.↗
NASA NTRS1994

The temporal evolution of the 4-14 micron spectrum of V1974 Cygni (Nova Cygni 1992)

We present 4-14 micron spectra of the ONeMg nova V1974 Cygni (Nova Cygni 1992) obtained during 1992 May on the NASA Kuiper Airborne Observatory (KAO) and from the NASA 1.52 m infrared telescope at Mount Lemmon, Arizona in 1992 October/November with the HIFOGS mid-infrared spectrometer. The spectra at both epochs showed continuum emission from thermal bremstrahlung (free-free radiation) with emission lines from hydrogen and (Ne II), (Ar III), and Ne VI). During May, approximately = 80 days after outburst, the dominant emission lines in the mid-infrared spectra were a blend of three lines (Pf-alpha, Hu-beta, H11-7) near 7.5 microns and (Ne II) at 12.8 microns. By October (approximately 160 days later), the hydrogen emission had virtually disappeared, the (Ne II) 12.8 micron line had weakened considerably, and a pronounced (Ne VI) emission line had appeared at 7.6 microns. This behavior confirms that V1974 Cyg is similar to the prototypical slow ONeMg 'neon nova', Nova QU Vulpeculae (1984 No. 2). The remarkable evolution of the spectrum suggests that the ionization conditions changed drastically between 1992 May and 1992 October. We find that the ejecta of V1974 Cyg were overabundant in neon with respect to silicon by a factor of approximately 10 relative to the solar photosphere. We present new model calculations of infrared sodium forbidden line emission from (Na III) 7.319 microns (Na IV) 9.039 microns, and (Na IV) 21.29 microns that can be compared with recent model predictions of sodium synthesis in ONeMg nova outbursts. We conclude that sodium abundances in ONeMg novae can be determined by observations of infrared coronal lines of sodium that are accssible to the Infrared Space Observatory (ISO) and instruments at the NASA Infrared Telescope Facility (IRTF).

Gehrz, R. D.↗
NASA NTRS1995

The temporal evolution of the 1-5 micron spectrum of V1974 CYGNI (Nova Cygni 1992)

We present 1-5 micrometer moderate- and high-resolution infrared spectra of the ONeMg nova V1974 (Nova Cygni 1992) obtained at multiple epochs during an approximately 500 day period after outburst. During the first 80 days, the spectra exhibited continuum emission from thermal bremsstrahlung (free-free radiation) with prominent recombination line emission from hydrogen, helium, nitrogen, and oxygen. The measurement Full Width at Half Maximum (FWHM) of these recombination lines suggests that the initial velocity of the ejecta was approximately equals 2400-3400 km/s. We estimate from the hydrogen recombination line ratios that the density of the ionized shell at this epoch was approximately equals 10(exp 9), with an effective electron temperature of approximately equals 5 x 10(exp 3) K. As the temporal evolution of the ejecta progressed, the hydrogen and helium lines diminished in intensity, and coronal lines of aluminum, calcium, magnesium, neon, and sulfur appeared by approximately day 80. The coronal line emission phase persisted for over 400 days. During this epoch, no significant dust formation occurred. We find that the ejecta of V1974 Cyg were overabundant in aluminum with respect to silicon by a factor of approximately equals 5 and in magnesium with respect to silicon by a factor of greater than or equal to 3 relative to the solar photosphere. Comparison of our observed overabundances with recent model predictions of elemental synthesis in ONeMg outbursts suggests that the accreted envelope on V1974 Cyg was close to solar composition and that the precursor ONeMg white dwarf had a mass of approximately equals 1 solar mass.

Woodward, Charles E.↗
NASA NTRS1994

Late Cenozoic flexural deformation of the middle U.S. Atlantic passive margin

Despite the century-long recognition of regional epeirogeny along the middle Atlantic passive margin, relatively few studies have focused on understanding postrift uplift mechanisms. Here, we demonstrate that epeirogenic uplift of the central Appalachian Piedmont and subsidence of the Salisbury Embayment represent first-order, flexural isostatic processes driven by continental denudation and offshore deposition. Our results show that regional epeirogenic processes, present on all Atlantic-type passive margins, are best resolved by specific stratigraphic and geomorphic relationships, rather than topography. A simple one-dimensional geodynamic model, constrained by well-dated Baltimore Canyon trough, Coastal Plain, and lower Susquehanna River (piedmont) stratigraphy, simulates flexural deforamtion of the U.S. Atlantic margin. The model represents the passive margin lithosphree as a uniformly thick elastic plate, without horizontal compressive stresses, that deforms flexurally under the stress of strike-averaged, vertically applied line loads. Model results illustrate a complex interaction among margin stratigraphy and geomorphology, the isostatic repsonse to denudational and depositional processes, and the modulating influence of exogenic forces such as eustasy. The current elevation, with respect to modern sea level, of fluvial terraces and correlateive Coastal Plain deposits or unconformities is successfully predicted through the synthesis of paleotopography, eustatic change, and margin flexure. Results suggest that the middle U.S. Atlantic margin landward of East Coast Magnetic Anomaly is underlain by lithoshpere with an average elastic thickness of 40 km (flexural rigidity, D = 4 X 10(exp 23) N m), the margin experience an average, long-term denudation rate of approximately 10m/m.y., and the Piedmont has been flexurally upwaped between 35 and 130 meters in the last 15 m.y. Long term isostatic continental uplift resulting rom denudation and basin subsidence resulting rom sediment loading are accomodated primately by a convex-up flexural hinge, physiographically represented by the Fall Zone. Our results elucidate an inherent danger in using topography alone to constrain late-stage passive margin deformation mechanisms. Only through careful synthesis of field stratigraphic and geomorphic elements such as fluvial terraces, Coastal Plain deposits, and offshore stratigraphy can age control be extended from the offshore depositional setting to the erosionally dominated continent. This sudy demonstrates that despite a relatively subdued topography, the middle U.S. Atlantic margin experiences progressive flexural isostatic deformation similar to that proposed for high-relief margins characterized by great escarpments. Thus margin topographic diversity remains a function of other factors, such as lithospheric composition and/or structure, supracrustal stratigraphy and structure, degree of drainage integration, drainage divide migration and climate.

Pazzaglia, Frank J.↗
NASA NTRS1995

The Use of Steady and Unsteady Detonation Waves for Propulsion Systems

Detonation wave enhanced supersonic combustors such as the Oblique Detonation Wave Engine (ODWE) are attractive propulsion concepts for hypersonic flight. These engines utilize detonation waves to enhance fuel-air mixing and combustion. The benefits of wave combustion systems include shorter and lighter engines which require less cooling and generate lower internal drag. These features allow air-breathing operation at higher Mach numbers than the diffusive burning scramjet delaying the need for rocket engine augmentation. A comprehensive vehicle synthesis code has predicted the aerodynamic characteristics and structural size and weight of a typical single-stage-to-orbit vehicle using an ODWE. Other studies have focused on the use of unsteady or pulsed detonation waves. For low speed applications, pulsed detonation engines (PDE) have advantages in low weight and higher efficiency than turbojets. At hypersonic speeds, the pulsed detonations can be used in conjunction with a scramjet type engine to enhance mixing and provide thrust augmentation.

Adelman, Henry G.↗
DOE OSTI2021

A graph-based network for predicting chemical reaction pathways in solid-state materials synthesis

Abstract Accelerated inorganic synthesis remains a significant challenge in the search for novel, functional materials. Many of the principles which enable “synthesis by design” in synthetic organic chemistry do not exist in solid-state chemistry, despite the availability of extensive computed/experimental thermochemistry data. In this work, we present a chemical reaction network model for solid-state synthesis constructed from available thermochemistry data and devise a computationally tractable approach for suggesting likely reaction pathways via the application of pathfinding algorithms and linear combination of lowest-cost paths in the network. We demonstrate initial success of the network in predicting complex reaction pathways comparable to those reported in the literature for YMnO 3 , Y 2 Mn 2 O 7 , Fe 2 SiS 4 , and YBa 2 Cu 3 O 6.5 . The reaction network presents opportunities for enabling reaction pathway prediction, rapid iteration between experimental/theoretical results, and ultimately, control of the synthesis of solid-state materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Bridging Experiment and Theory to Reveal Compounds in K–Zn(Cd)–Bi Systems

This study investigates the facile hydride synthesis method guided by theoretical predictions to explore the K–T–Bi (T = Zn, Cd) phase spaces. Using an adaptive genetic algorithm (AGA) and density functional theory (DFT), candidate compositions are identified for experimental validation via a facile hydrides route, permitting experimental screening of K–Zn–Bi and “empty” K–Cd–Bi systems. The previously reported KZnBi and KZn 2 Bi 2 are synthesized alongside newly discovered KCdBi and KCd 2 Bi 2 . While the AGA and DFT predict the stability of these compounds, structural predictions align with the experiment only for KZnBi and KZn 2 Bi 2 . Single-crystal X-ray structure refinements confirm that KZnBi and KZn 2 Bi 2 adopt the hexagonal ZrBeSi- and tetragonal ThCr 2 Si 2 -structure types, respectively. KCdBi has tetragonal PbClF-structure type and KCd 2 Bi 2 belongs to the ThCr 2 Si 2 -structure type. A trend based on the ratio of the metal ionic radii allows to rationalize variation in the structure types within the ATBi family (A = Li–Cs), correctly identifying KCdBi as isostructural to NaZnBi. Thermal stability studied by high-temperature powder X-ray diffraction reveals that Zn-containing compounds melt at higher temperatures (821 K for KZn 2 Bi 2 ) than Cd-containing KCd 2 Bi 2 (635 K). This study highlights the efficacy of combining rapid synthesis techniques with predictive modeling, though structural predictions show some limitations in accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Collaborative: Fundamental studies of how water influences the synthesis and behavior of zeolite catalysts for reactions in the circular carbon economy (Final Technical Report)

This project established a computational framework to predict and interpret how synthesis conditions control active site location in MFI zeolites and how those site distributions influence catalytic reactivity. The Hibbitts Group led the theoretical effort, applying periodic DFT calculations to quantify (i) SDA–framework–heteroatom interactions during crystallization and (ii) the energetics and mechanisms of arene methylation reactions within distinct MFI environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1998

Flight Evaluation of Center-TRACON Automation System Trajectory Prediction Process

Two flight experiments (Phase 1 in October 1992 and Phase 2 in September 1994) were conducted to evaluate the accuracy of the Center-TRACON Automation System (CTAS) trajectory prediction process. The Transport Systems Research Vehicle (TSRV) Boeing 737 based at Langley Research Center flew 57 arrival trajectories that included cruise and descent segments; at the same time, descent clearance advisories from CTAS were followed. Actual trajectories of the airplane were compared with the trajectories predicted by the CTAS trajectory synthesis algorithms and airplane Flight Management System (FMS). Trajectory prediction accuracy was evaluated over several levels of cockpit automation that ranged from a conventional cockpit to performance-based FMS vertical navigation (VNAV). Error sources and their magnitudes were identified and measured from the flight data. The major source of error during these tests was found to be the predicted winds aloft used by CTAS. The most significant effect related to flight guidance was the cross-track and turn-overshoot errors associated with conventional VOR guidance. FMS lateral navigation (LNAV) guidance significantly reduced both the cross-track and turn-overshoot error. Pilot procedures and VNAV guidance were found to significantly reduce the vertical profile errors associated with atmospheric and airplane performance model errors.

Williams, David H.↗
DOE OSTI2021

Synthetic accessibility and stability rules of NASICONs

In this paper we develop the stability rules for NASICON-structured materials, as an example of compounds with complex bond topology and composition. By first-principles high-throughput computation of 3881 potential NASICON phases, we have developed guiding stability rules of NASICON and validated the ab initio predictive capability through the synthesis of six attempted materials, five of which were successful. A simple two-dimensional descriptor for predicting NASICON stability was extracted with sure independence screening and machine learned ranking, which classifies NASICON phases in terms of their synthetic accessibility. This machine-learned tolerance factor is based on the Na content, elemental radii and electronegativities, and the Madelung energy and can offer reasonable accuracy for separating stable and unstable NASICONs. This work will not only provide tools to understand the synthetic accessibility of NASICON-type materials, but also demonstrates an efficient paradigm for discovering new materials with complicated composition and atomic structure.

25 ENERGY STORAGE↗
NASA NTRS1999

Predicting Mission Success in Small Satellite Missions

In our global society with its increasing international competition and tighter financial resources, governments, commercial entities and other organizations are becoming critically aware of the need to ensure that space missions can be achieved on time and within budget. This has become particularly true for the National Aeronautics and Space Administration's (NASA's) Office of Space Science (OSS) which has developed their Discovery and Explorer programs to meet this need. As technologies advance, space missions are becoming smaller and more capable than their predecessors. The ability to predict the mission success of these small satellite missions is critical to the continued achievement of NASA science mission objectives. The NASA Office of Space Science, in cooperation with the NASA Langley Research Center, has implemented a process to predict the likely success of missions proposed to its Discovery and Explorer Programs. This process is becoming the basis for predicting mission success in many other NASA programs as well. This paper describes the process, methodology, tools and synthesis techniques used to predict mission success for this class of mission.

Saunders, Mark↗
NASA NTRS1992

Predicting Mission Success in Small Satellite Missions

In our global society with its increasing international competition and tighter financial resources, governments, commercial entities and other organizations are becoming critically aware of the need to ensure that space missions can be achieved on time and within budget. This has become particularly true for the National Aeronautics and Space Administration's (NASA) Office of Space Science (OSS) which has developed their Discovery and Explorer programs to meet this need. As technologies advance, space missions are becoming smaller and more capable than their predecessors. The ability to predict the mission success of these small satellite missions is critical to the continued achievement of NASA science mission objectives. The NASA Office of Space Science, in cooperation with the NASA Langley Research Center, has implemented a process to predict the likely success of missions proposed to its Discovery and Explorer Programs. This process is becoming the basis for predicting mission success in many other NASA programs as well. This paper describes the process, methodology, tools and synthesis techniques used to predict mission success for this class of mission.

Saunders, Mark↗
DOE OSTI2021

BETO 2021 Peer Review - Inverse Bioproduct Design Through Machine Learning and Molecular Simulation

This work aims to identify performance advantaged bioproducts (PABPs) through property prediction, which will guide experimental synthesis. The impact of this work will be faster market adoption of bioproducts with greater performance relative to incumbent products. We have identified >106 bioproduct candidates, but only some will have superior performance to create a market pull. High-throughput property prediction, enabled by machine learning, and elucidation of structure-function relationships, enabled by molecular simulation, provide a hypothesis driven approach for down selection of candidate biomolecules to pursue experimentally. To enable machine learning and molecular simulation for bioproduct discovery, automated structure generation and embedding must capture relevant features for prediction, databases must cover domains applicable to biobased products, and best practices for simulation of polymer systems must be developed. To address these challenges, we have established bioproduct relevant datasets, developed high-throughput polymer structure generation, and built end-to-end neural networks that have predicted 8 properties for >1.4 x 106 biopolymers. A molecular simulation pipeline for building, running, and analyzing polymers and polymer additives is being used to predict performance and develop design principles of biobased products. In collaboration with the PABP synthesis project, these computational tools are guiding synthesis and informing design of PABPs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Synthesis, Stability, and Magnetic Properties of Antiperovskite Co 3 PdN

Experimental synthesis and characterization of theoretically predicted compounds are important steps in the materials discovery pipeline. Here, we report on the synthesis of Co 3 PdN, which was recently predicted to be a stable magnetic antiperovskite. The Co 3 PdN thin films were grown by reactive sputtering and were confirmed to form in an antiperovskite crystal structure. The thermal stability of the compound is demonstrated up to 600 K by in situ X-ray diffraction, though the phase persists at slightly higher temperatures (700 K) in an air-free magnetometer. Both ab initio calculations and magnetization measurements find Co 3 PdN to be ferromagnetic with an experimentally determined Curie temperature of T C = 560 ± 5 K. The saturation magnetization of 1.2 μ B /Co found in the experiment is slightly lower than the 1.7 μ B /Co value expected by theory. A narrow magnetic hysteresis loop with a coercive field of 100 Oe at low temperature suggests that Co 3 PdN might be useful in electronic applications requiring fast switching of the magnetization vector. While prior prediction of Co 3 PdN showed a gapped electronic band structure for each spin channel, we show that this was due to incomplete sampling of Brillouin zone paths and that band crossings exist along R-X|M and X|M-R paths. The metallic nature of Co 3 PdN is further confirmed by temperature-dependent transport measurements, which also show a considerable anomalous Hall effect. Altogether, this work represents an appreciable step toward understanding the synthesis, structure, stability, and properties of a new magnetic material.

14 SOLAR ENERGY↗
DOE OSTI2024

Uncovering the predictive pathways of lithium and sodium interchange in layered oxides

Ion exchange is a powerful method to access metastable materials with advanced functionalities for energy storage applications. However, high concentrations and unfavourably large excesses of lithium are always used for synthesizing lithium cathodes from parent sodium material, and the reaction pathways remain elusive. Here, using layered oxides as model materials, we demonstrate that vacancy level and its corresponding lithium preference are critical in determining the accessible and inaccessible ion exchange pathways. Taking advantage of the strong lithium preference at the right vacancy level, we establish predictive compositional and structural evolution at extremely dilute and low excess lithium based on the phase equilibrium between Li 0.94 CoO 2 and Na 0.48 CoO 2 . Such phase separation behaviour is general in both surface reaction-limited and diffusion-limited exchange conditions and is accomplished with the charge redistribution on transition metals. Guided by this understanding, we demonstrate the synthesis of Na y CoO 2 from the parent Li x CoO 2 and the synthesis of Li 0.94 CoO 2 from Na y CoO 2 at 1-1,000 Li/Na (molar ratio) with an electrochemical assisted ion exchange method by mitigating the kinetic barriers. Our study opens new opportunities for ion exchange in predictive synthesis and separation applications. Ion exchange is a powerful method to access metastable materials for energy storage, but identifying lithium and sodium interchange in layered oxides remains challenging. Using such model materials, vacancy level and corresponding lithium preference are shown to be crucial for ion exchange pathway accessibility.

25 ENERGY STORAGE↗