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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Dynamic mode decomposition for extrapolating nonequilibrium Green's-function dynamics

The Hartree-Fock generalized Kadanoff-Baym ansatz (HF-GKBA) offers an approximate numerical procedure for propagating the two-time nonequilibrium Green's function (NEGF). Here, using the GW self-energy, we compare the HF-GKBA to exact results for a variety of systems with long- and short-range interactions, different two-body interaction strengths, and various nonequilibrium preparations. We find excellent agreement between the HF-GKBA and exact time evolution in models when more realistic long-range exponentially decaying interactions are considered. Furthermore, this agreement persists for long times and for intermediate to strong interaction strengths. In large systems, HF-GKBA becomes prohibitively expensive for long-time evolutions. For this reason, we look at the use of dynamical mode decomposition (DMD) to reconstruct long-time NEGF trajectories from a sample of the initial trajectory. Using no more than 16% of the total time evolution, we reconstruct the total trajectory with high fidelity. Our results show the potential for DMD to be used in conjunction with HF-GKBA to calculate long-time trajectories in large-scale systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1961

Stability of Titanium Nitride and Titanium Carbide When Exposed to Hydrogen Atoms from 298 to 1950 K

Titanium nitride and titanium carbide deposited on tungsten wires were exposed to hydrogen atoms (10(exp -4) atm pressure) produced by the action of microwave radiation on molecular hydrogen. The results of these experiments in the temperature range 298 to 1950 K indicate that no appreciable reaction takes place between atomic hydrogen and TiN or TiC. The formation of reaction products (NH3, CH4, C2H2) should be favored at lower temperatures. However, because of the high catalytic activity of Ti for H atom recombination, the rate of such reactions with H atoms is controlled by the rate of evaporation of Ti from the surface, this rate being low at temperatures below 1200 K. In order to interpret the stability of TiN and TiC in H atoms more fully, the stability of TiN and TiC in vacuum and H2 gas was also studied. The thermodynamic computations conform in order of magnitude to the experimentally found rates of decomposition of TiN and TiC in vacuum and are also consistent with the fact that no appreciable reaction is found with these compounds in molecular H2 at a pressure of 10(exp -3) atmosphere in the temperature range 2980 to 2060 K. When TiN or TiC was heated in atomic H or molecular H2, no reaction products other than those obtained from the simple decomposition of the nitride and carbide were observed. The gaseous products were analyzed in a mass spectrometer.

Philipp, Warren H.↗
DOE OSTI2015

Transmission and reflection of terahertz plasmons in two-dimensional plasmonic devices

We found that plasmons in two-dimensional semiconductor devices will be reflected by discontinuities, notably, junctions between gated and non-gated electron channels. The transmitted and reflected plasmons can form spatially- and frequency-varying signals, and their understanding is important for the design of terahertz detectors, oscillators, and plasmonic crystals. Using mode decomposition, we studied terahertz plasmons incident on a junction between a gated and a nongated channel. The plasmon reflection and transmission coefficients were found numerically and analytically and studied between 0.3 and 1 THz for a range of electron densities. At higher frequencies, we could describe the plasmons by a simplified model of channels in homogeneous dielectrics, for which the analytical approximations were accurate. At low frequencies, however, the full geometry and mode spectrum had to be taken into account. Moreover, the results agreed with simulations by the finite-element method. As a result, mode decomposition thus proved to be a powerful method for plasmonic devices, combining the rigor of complete solutions of Maxwell's equations with the convenience of analytical expressions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2022

Implementation of the NASA High Intensity Modal Impedance Tube

This paper provides a description of the High Intensity Modal Impedance Tube (HIMIT) and its use for the evaluation of acoustic liners. Tests conducted with two liners, one linear and one nonlinear, are used to evaluate the suitability of the HIMIT for evaluation at frequencies up to 6 kHz and sound pressure levels up to 155 dB. Two impedance eduction methods are used, one suitable for plane wave frequencies and the other applicable over the full frequency range. These educed impedances are compared against those computed with an impedance prediction method and against those educed with another zero-flow test rig. These results confirm that the HIMIT can be used with confidence for the evaluation of acoustic liners over these frequency and sound pressure level ranges.

impedance↗
NASA NTRS1996

Modelling Temporal Variability in the Carbon Balance of a Spruce/Moss Boreal Forest

A model of the daily carbon balance of a black spruce/feathermoss boreal forest ecosystem was developed and results compared to preliminary data from the 1994 BOREAS field campaign in northern Manitoba, Canada. The model, driven by daily weather conditions, simulated daily soil climate status (temperature and moisture profiles), spruce photosynthesis and respiration, moss photosynthesis and respiration, and litter decomposition. Model agreement with preliminary field data was good for net ecosystem exchange (NEE), capturing both the asymmetrical seasonality and short-term variability. During the growing season simulated daily NEE ranged from -4 g C m(exp -2) d(exp -1) (carbon uptake by ecosystem) to + 2 g C m(exp -2) d(exp -1) (carbon flux to atmosphere), with fluctuations from day to day. In the early winter simulated NEE values were + 0.5 g C m(exp -2) d(exp -1), dropping to + 0.2 g C m(exp -2) d(exp -1) in mid-winter. Simulated soil respiration during the growing season (+ 1 to + 5 g C m(exp -2) d(exp -1)) was dominated by metabolic respiration of the live moss, with litter decomposition usually contributing less than 30% and live spruce root respiration less than 10% of the total. Both spruce and moss net primary productivity (NPP) rates were higher in early summer than late summer. Simulated annual NEE for 1994 was -51 g C m(exp -2) y(exp -1), with 83% going into tree growth and 17% into the soil carbon accumulation. Moss NPP (58 g C m(exp -2) d(exp -1)) was considered to be litter (i.e. soil carbon input; no net increase in live moss biomass). Ecosystem respiration during the snow-covered season (84 g Cm(exp -2)) was 58% of the growing season net carbon uptake. A simulation of the same site for 1968-1989 showed about 10-20% year-to-year variability in heterotrophic respiration (mean of + 113 g C m-2 y@1). Moss NPP ranged from 19 to 114 g C m(exp -2) y(exp -1); spruce NPP from 81 to 150 g C nt-2 y,@l; spruce growth (NPP minus litterfall) from 34 to 103 g C m(exp -2) y(exp -1); NEE ranged from +37 to -142 g C m(exp -2) y(exp -1). Values for these carbon balance terms in 1994 were slightly smaller than the 1969 - 89 means. Higher ecosystem productivity years (more negative NEE) generally had early springs and relatively wet summers; lower productivity years had late springs and relatively dry summers.

Frolking, S.↗
DOE OSTI2014

Mass-radius relations and core-envelope decompositions of super-Earths and sub-Neptunes

Many exoplanets have been discovered with radii of 1-4 R {sub ⊕}, between that of Earth and Neptune. A number of these are known to have densities consistent with solid compositions, while others are 'sub-Neptunes' likely to have significant H{sub 2}-He envelopes. Future surveys will no doubt significantly expand these populations. In order to understand how the measured masses and radii of such planets can inform their structures and compositions, we construct models both for solid layered planets and for planets with solid cores and gaseous envelopes, exploring a range of core masses, H{sub 2}-He envelope masses, and associated envelope entropies. For planets in the super-Earth/sub-Neptune regime for which both radius and mass are measured, we estimate how each is partitioned into a solid core and gaseous envelope, associating a specific core mass and envelope mass with a given exoplanet. We perform this decomposition for both ''Earth-like'' rock-iron cores and pure ice cores, and find that the necessary gaseous envelope masses for this important sub-class of exoplanets must range very widely from zero to many Earth masses, even for a given core mass. This result bears importantly on exoplanet formation and envelope evaporation processes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

High Genetic Potential for Proteolytic Decomposition in Northern Peatland Ecosystems

Nitrogen (N) is a common limitation on primary productivity, and its source remains unresolved in northern peatlands that are vulnerable to environmental change. Decomposition of complex organic matter into free amino acids has been proposed as an important N source, but the genetic potential of microorganisms mediating this process has not been examined. Such information can inform possible responses of northern peatlands to environmental change. We show high genetic potential for microbial production of free amino acids across a range of microbial guilds in northern peatlands. In particular, the abundance and diversity of bacterial genes encoding proteolytic activity suggest a predominant role for bacteria in regulating productivity and contrasts with a paradigm of fungal dominance of organic N decomposition. Our results expand our current understanding of coupled carbon and nitrogen cycles in northern peatlands and indicate that understudied bacterial and archaeal lineages may be central in this ecosystem’s response to environmental change.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Crystal Structure and Phase Relations of the R{sub 2}Fe{sub 14}B–Y{sub 2}Fe{sub 14}B (R = Nd and Pr) Systems

The phase relations in the R{sub 2}Fe{sub 14}B–Y{sub 2}Fe{sub 14}B (R = Nd and Pr) systems have been investigated by means of X-ray powder diffraction (XRD), differential thermal analysis (DTA), and scanning electron microscopy (SEM) equipped with energy-dispersive X-ray spectroscopy (EDS). Crystal structure parameters for all studied alloys (R{sub 1−x}Y{sub x}){sub 2}Fe{sub 14}B (R = Nd and Pr) have been determined by Rietveld refinements. Their structures are similar to that of the Nd{sub 2}Fe{sub 14}B phase with tetragonal structure (space group P4{sub 2}/mnm). The continuous solid solutions are formed in these systems. The lattice parameters and unit cell volumes of the (R{sub 1−x}Y{sub x}){sub 2}Fe{sub 14}B (R = Nd and Pr) solid solutions decrease gradually with increasing Y content. The DTA results present that the decomposition temperature of (R{sub 1−x}Y{sub x}){sub 2}Fe{sub 14}B (R = Nd and Pr) rises with x ranging from 0 to 1.0. The vertical sections of the R{sub 2}Fe{sub 14}B–Y{sub 2}Fe{sub 14}B (R = Nd and Pr) systems are presented in this work.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Optimizing adiabatic quantum program compilation using a graph-theoretic framework

Adiabatic quantum computing has evolved in recent years from a theoretical field into an immensely practical area, a change partially sparked by D-Wave System’s quantum annealing hardware. These multimillion-dollar quantum annealers offer the potential to solve optimization problems millions of times faster than classical heuristics, prompting researchers at Google, NASA and Lockheed Martin to study how these computers can be applied to complex real-world problems such as NASA rover missions. Unfortunately, compiling (embedding) an optimization problem into the annealing hardware is itself a difficult optimization problem and a major bottleneck currently preventing widespread adoption. Additionally, while finding a single embedding is difficult, no generalized method is known for tuning embeddings to use minimal hardware resources. To address these barriers, we introduce a graph-theoretic framework for developing structured embedding algorithms. Using this framework, we introduce a biclique virtual hardware layer to provide a simplified interface to the physical hardware. Additionally, we exploit bipartite structure in quantum programs using odd cycle transversal (OCT) decompositions. By coupling an OCT-based embedding algorithm with new, generalized reduction methods, we develop a new baseline for embedding a wide range of optimization problems into fault-free D-Wave annealing hardware. Furthermore, to encourage the reuse and extension of these techniques, we provide an implementation of the framework and embedding algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

High throughput exploration of the oxidation landscape in high entropy alloys

We report high entropy alloys (HEAs) have gained interest for structural applications in extreme environments. With a potentially vast chemical and phase space, there are significant opportunities to discover superior performing alloys. Crucial for most high-temperature applications is understanding and mitigating the oxidation behavior of these chemically complex alloys. Most experimental and computational HEA studies have focused on a limited set of compositions and only a fraction these compositions have been characterized for oxidation. We present a high-throughput framework that utilizes density-functional theory (DFT) in concert with a combined machine-learning model and grand-canonical linear programming for assessing phase stability, phase-fraction, chemical activity and high-temperature survivability of arbitrary HEAs. This framework considers temperature dependent contributions to the Gibbs energy of the competing phases arising from short-range order and vibrational entropy. We demonstrate the effectiveness of the framework by assessing the thermodynamic stability, oxidation behavior, chemical activity, and phase decomposition of body-centered cubic Mo-W-Ta-Ti-Zr refractory HEAs. A total of 51 compositions were analyzed and ranked in order of their survivability based on the Pareto-front analysis. Oxidation was performed at 1373 K on fours samples in air showing the difference in oxidation behavior determined experimentally through scale thickness and their mass changes. The insights on oxidation behavior presented in this work will enable the fast assessment of technologically useful HEAs needed for future structural application in extreme conditions

36 MATERIALS SCIENCE↗
DOE OSTI2024

Structure–performance relationships of lithium-ion battery cathodes revealed by contrast-variation small-angle neutron scattering

Lithium-ion battery cathodes are porous composites of active material, conductive carbon, and polymer binder. Controlling the cathode microstructure is key to achieving high energy density and cycling stability. Current characterization techniques lack the nanoscale resolution over representative volumes necessary to relate cathode microstructure to cycling performance. To address this challenge, we utilize contrast-variation small-angle neutron scattering to quantify the chemical and structural features of cathodes wet by dimethyl carbonate, representing a relevant solvent environment. Using neutron scattering measurements, we identify an expansion in carbon and polymer structures that arises after calendering and wetting with solvent. Further, we deconvolute the carbon and binder phases to obtain the solvent-accessible carbon black surface area, which we correlate to diminished capacity retention driven by electrolyte decomposition on exposed carbon. This technique provides nanoscale insight into composite cathode microstructures and resulting cycling performance, promising future applications to a broad range of porous materials that exist in energy storage systems.

25 ENERGY STORAGE↗
DOE OSTI2013

L1(0)-FePd nanocluster wires by template-directed thermal decomposition and subsequent hydrogen reduction

This paper reports the nanostructure, formation mechanism, and magnetic properties of tetragonal L1(0)-type Fe55Pd45 (at. %) nanocluster wires (NCWs) fabricated by thermal decomposition of metal nitrates and subsequent hydrogen reduction in nanoporous anodized aluminum oxide templates. The as-synthesized NCWs have diameters in the range of 80-300 nm, and lengths in the range of 0.5-10 mu m. The NCWs are composed of roughly round-shaped nanoclusters in the range of 3-30 nm in size and a weighted average size of 10 nm with a mixture of single-crystal and poly-crystalline structures. The obtained intrinsic coercivity H-i(c) of 3.32 kOe at room temperature for the tetragonal Fe55Pd45 NCWs is higher than those of electrodeposited Fe-Pd solid nanowires while among the highest values reported so far for L1(0)-type FePd nanoparticles. (C) 2013 AIP Publishing LLC.

Cui, BZ↗
NASA NTRS1981

Effect of particle size on the chemisorption and decomposition of carbon monoxide by palladium and nickel clusters

The chemisorption of gases on well-defined, supported metal particles is a model for basic processes in heterogeneous catalysis. In this study, the chemisorption and decomposition of carbon monoxide on palladium and nickel particles was examined as a function of particle size. Particulate films with average particle sizes ranging from 1 to 10 nm were grown by vapor deposition on UHV-cleaved mica. Successive CO adsorption-desorption cycles resulted in the accumulation of carbon on the particles, which suppressed CO adsorption. The rate of carbon accumulation was strongly dependent on particle size and was higher for Ni than for Pd over the same size range. Carbon was removed from both metals by oxygen treatments at elevated temperatures. However, a mixture of CO and O2 was effective for monitoring the removal of carbon from palladium.

Doering, D. L.↗
NASA NTRS1996

Blazhko Effect

The cause of the Blazhko effect, the long-term modulation of the light and radial velocity curves of some RR Lyr stars, is still not understood. The observational characteristics of the Blazhko effect are discussed. Some preliminary results are presented from two recent campaigns to observe RR Lyr, using the International Ultraviolet Explorer along with ground-based spectroscopy and photometry, throughout a pulsation cycle, at a variety of Blazhko phases. A set of ultraviolet light curves have been generated from low dispersion IUE spectra. In addition, the (visual) light curves from IUE's Fine Error Sensor are analyzed using the Fourier decomposition technique. The values of the parameters Psi(sub 21) and R(sub 21) at different Blazhko phases of RR Lyr span the range of values found for non-Blazhko variables of similar period.

Teays, Terry↗
NASA NTRS2003

Enhancing and Archiving the APS Catalog of the POSS I

We have worked on two different projects: 1) Archiving the APS Catalog of the POSS I for distribution to NASA's NED at IPAC, SIMBAD in France, and individual astronomers and 2) The automated morphological classification of galaxies. We have completed archiving the Catalog into easily readable binary files. The database together with the software to read it has been distributed on DVD's to the national and international data centers and to individual astronomers. The archived Catalog contains more than 89 million objects in 632 fields in the first epoch Palomar Observatory Sky Survey. Additional image parameters not available in the original on-line version are also included in the archived version. The archived Catalog is also available and can be queried at the APS web site (URL: http://aps.umn.edu) which has been improved with a much faster and more efficient querying system. The Catalog can be downloaded as binary datafiles with the source code for reading it. It is also being integrated into the SkyQuery system which includes the Sloan Digital Sky Survey, 2MASS, and the FIRST radio sky survey. We experimented with different classification algorithms to automate the morphological classification of galaxies. This is an especially difficult problem because there are not only a large number of attributes or parameters and measurement uncertainties, but also the added complication of human disagreement about the adopted types. To solve this problem we used 837 galaxy images from nine POSS I fields at the North Galactic Pole classified by two independent astronomers for which they agree on the morphological types. The initial goal was to separate the galaxies into the three broad classes relevant to issues of large scale structure and galaxy formation and evolution: early (ellipticals and lenticulars), spirals, and late (irregulars) with an accuracy or success rate that rivals the best astronomer classifiers. We also needed to identify a set of parameters derived from the digitized images that separate the galaxies by type. The human eye can easily recognize complicated patterns in images such as spiral arms which can be spotty, blotchy affairs that are difficult for automated techniques. A galaxy image can potentially be described by hundreds of parameters, all of which may have some relation to the morphological type. In the set of initial experiments we used 624 such parameters, in two colors, blue and red. These parameters include the surface brightness and color measured at different radii, ratios of these parameters at different radii, concentration indices, Fourier transforms and wavelet decomposition coefficients. We experimented with three different classes of classification algorithms; decision trees, k-nearest neighbors, and support vector machines (SVM). A range of experiments were conducted and we eventually narrowed the parameters to 23 selected parameters. SVM consistently outperformed the other algorithms with both sets of features. By combining the results from the different algorithms in a weighted scheme we achieved an overall classification success of 86%.

Humphreys, Roberta M.↗
NASA NTRS2016

The Sample at Mars Analysis (SAM) Detections of CO2 and CO in Sedimentary Material from Gale Crater, Mars: Implications for the Presence of Organic Carbon and Microbial Habitability on Mars

Sedimentary rock samples heated to 860 C in the SAM instrument evolved CO2 and CO indicating the presence of organic-carbon(C) in Gale Crater materials. Martian or exogenous (meteoritic, interplanetary dust) CO2 and CO could be derived from combustion of simple organics (less than 300 C), complex refractory organics/amorphous carbon (300-600 C), and/or magmatic carbon (greater than 600 C) as result of thermal decomposition of Gale Crater perchlorates, and sulfates present that produce O2. Oxidized organic compounds could also evolve CO2 and CO over broad temperature range (150 to 800 C) and such organics are expected on Mars via exogenous sources. Alternatively, organic-C could also have been oxidized to carboxylic acids [e.g, mellitic acid (RCOOH), acetate (CH3CO2(-)), and oxalates ((2)C2O4(-))] by oxidative radiolytic weathering, or other oxidation processes. The presence of oxidized organics is consistent with the limited detection of reduced organic-C phases by the SAM-gas chromatography. Organic-C content as determined by CO2 and CO contents could range between 800 and 2400 ppm C indicating that substantial organic-C component is present in Gale Crater. There are contributions from SAM background however, even in worse case scenarios, this would only account for as much as half of the detected CO2 and CO. Nevertheless, if organic-C levels were assumed to have existed in a reduced form on ancient Mars and this was bioavailable C, then less than 1% of C in Gale Crater sediments could have supported an exclusively heterotrophic microbial population of 1 x 10(exp 5) cells/g sediment (assumes 9 x 10(exp -7) microgram/cell and 0.5 micrograms C/microgram cell). While other essential nutrients (e.g., S and P) could be limiting, organic-C contents, may have been sufficient to support limited heterotrophic microbial populations on ancient Mars.

Sutter, Brad↗
NASA NTRS2016

The Sample at Mars Analysis (SAM) Detections of CO2 and CO in Sedimentary Material from Gale Crater, Mars: Implications for the Presence of Organic Carbon and Microbial Habitability on Mars

Sedimentary rock samples heated to 860 degrees Centigrade in the SAM (Sample at Mars) instrument evolved CO2 and CO indicating the presence of organic-carbon(C) in Gale Crater materials. Martian or exogenous (meteoritic, interplanetary dust) CO2 and CO could be derived from combustion of simple organics (less than 300 degrees Centigrade), complex refractory organics/amorphous carbon (300-600 degrees Centigrade), and/or magmatic carbon (greater than 600 degrees Centigrade) as result of thermal decomposition of Gale Crater perchlorates, and sulfates present that produce O2. Oxidized organic compounds could also evolve CO2 and CO over broad temperature range (150 to 800 degrees Centigrade) and such organics are expected on Mars via exogenous sources. Alternatively, organic-C could also have been oxidized to carboxylic acids [e.g, mellitic acid (RCOOH), acetate (CH3CO2-), and oxalates (C2O42-)] by oxidative radiolytic weathering, or other oxidation processes. The presence of oxidized organics is consistent with the limited detection of reduced organic-C phases by the SAM-gas chromatography. Organic-C content as determined by CO2 and CO contents could range between 800 and 2400 parts per million C indicating that substantial organic-C component is present in Gale Crater. There are contributions from SAM background however, even in worst-case scenarios, this would only account for as much as half of the detected CO2 and CO. Nevertheless, if organic-C levels were assumed to have existed in a reduced form on ancient Mars and this was bioavailable C, then less than 1 percent of C in Gale Crater sediments could have supported an exclusively heterotrophic microbial population of 1 by 10 (sup 5) cells per gram sediment (assumes 9 by 10 (sup -7) microgram per cell and 0.5 micrograms C per microgram cell). While other essential nutrients (e.g., S and P) could be limiting, organic-C contents, may have been sufficient to support limited heterotrophic microbial populations on ancient Mars.

Sutter, Brad↗