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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

The Spacecraft Materials Selector: An Artificial Intelligence System for Preliminary Design Trade Studies, Materials Assessments, and Estimates of Environments Present

Institutions need ways to retain valuable information even as experienced individuals leave an organization. Modern electronic systems have enough capacity to retain large quantities of information that can mitigate the loss of experience. Performance information for long-term space applications is relatively scarce and specific information (typically held by a few individuals within a single project) is often rather narrowly distributed. Spacecraft operate under severe conditions and the consequences of hardware and/or system failures, in terms of cost, loss of information, and time required to replace the loss, are extreme. These risk factors place a premium on appropriate choice of materials and components for space applications. An expert system is a very cost-effective method for sharing valuable and scarce information about spacecraft performance. Boeing has an artificial intelligence software package, called the Boeing Expert System Tool (BEST), to construct and operate knowledge bases to selectively recall and distribute information about specific subjects. A specific knowledge base to evaluate the on-orbit performance of selected materials on spacecraft has been developed under contract to the NASA SEE program. The performance capabilities of the Spacecraft Materials Selector (SMS) knowledge base are described. The knowledge base is a backward-chaining, rule-based system. The user answers a sequence of questions, and the expert system provides estimates of optical and mechanical performance of selected materials under specific environmental conditions. The initial operating capability of the system will include data for Kapton, silverized Teflon, selected paints, silicone-based materials, and certain metals. For situations where a mission profile (launch date, orbital parameters, mission duration, spacecraft orientation) is not precisely defined, the knowledge base still attempts to provide qualitative observations about materials performance and likely exposures. Prior to the NASA contract, a knowledge base, the Spacecraft Environments Assistant (SEA,) was initially developed by Boeing to estimate the environmental factors important for a specific spacecraft mission profile. The NASA SEE program has funded specific enhancements to the capability of this knowledge base. The SEA qualitatively identifies over 25 environmental factors that may influence the performance of a spacecraft during its operational lifetime. For cases where sufficiently detailed answers are provided to questions asked by the knowledge base, atomic oxygen fluence levels, proton and/or electron fluence and dose levels, and solar exposure hours are calculated. The SMS knowledge base incorporates the previously developed SEA knowledge base. A case history for previous flight experiment will be shown as an example, and capabilities and limitations of the system will be discussed.

Pippin, H. G.↗
DOE OSTI2023

Assessment of deep levels with selenium concentration in Cd 1–x Zn x Te 1–y Se y room temperature detector materials

Incorporation of Se into Cd 1–x Zn x Te (CZT) to form the quaternary compound semiconductor Cd 1–x Zn x Te 1–y Se y (CZTS) has proven to be an effective solution for compensating the major flaws associated with CZT, including poor homogeneity and high concentrations of electronically active deep levels that limit the performance of CZT detectors. In order to investigate how deep levels are affected by the Se concentration in CZTS, we performed photoinduced current transient spectroscopy (PICTS) measurements on CZTS crystals grown by the traveling heater method (THM) with 10% atomic Zn and varying atomic percentage of Se from 1.5% to 7.0%. The PICTS scans for up to 4% Se showed an exponential reduction in the capture cross section of deep levels associated with Te secondary phases in conjunction with an increase in a deep level positioned near the mid-gap, which initially increases the electron trapping time before degrading again at higher Se concentrations. The PICTS peaks present in 7% Se were anomalous relative to the other crystals and are expected to originate from transition metal impurities found in the lower-purity CdSe precursor material.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Theoretical studies of diatomic and triatomic systems containing the group IB atoms Cu, Ag, and Au

Selected portions of the ground state potential energy surfaces of the Cu3, Ag3, AgCu2, and AuCu2 trimers are studied at the single-reference singles plus doubles configuration interaction and couple pair functional levels correlating 33 electrons. The calculations use the effective core potentials of Hay and Wadt (1985) to replace the deep core levels. The Cu3 and Ag3 molecules are found to have 2B2 obtuse-angled ground states, with low-lying 2A1 acute-angled excited states. The AgCu2 and AuCu2 molecules have 2A1 acute-angled ground states. The Cu3 molecule has a smaller 3d population than Ag3, and Cu3 has a smaller s electron density in the open-shell orbital than does Ag3, in agreement with recent ESR experiments.

Walch, Stephen P.↗
NASA NTRS1977

Surface photovoltage due to photo-thermo-ionization of surface states - GaAs

Surface photovoltage spectroscopy was employed for studying the mechanism of subbandgap photoionization transitions from surface states in GaAs surfaces. It was found that the photoionization cross-section exhibits a maximum for a photon energy of about 0.9 eV. This finding indicates a photo-thermal mechanism of photovoltage, i.e., photo-induced transitions between surface state levels and the subsequent thermal ejection of electrons from the upper level into the conduction band.

Morawski, A.↗
DOE OSTI2022

Simultaneous Optimization of Nuclear–Electronic Orbitals

Accurate modeling of important nuclear quantum effects, such as nuclear delocalization, zero-point energy, and tunneling, as well as non-Born-Oppenheimer effects, requires treatment of both nuclei and electrons quantum mechanically. The nuclear–electronic orbital (NEO) method provides an elegant framework to treat specified nuclei, typically protons, on the same level as the electrons. In conventional electronic structure theory, finding a converged ground state can be a computationally demanding task; converging NEO wavefunctions, due to their coupled electronic and nuclear nature, is even more demanding. Herein, we present an efficient simultaneous optimization method that uses the direct inversion in the iterative subspace method to simultaneously converge wavefunctions for both the electrons and quantum nuclei. In conclusion, benchmark studies show that the simultaneous optimization method can significantly reduce the computational cost compared to the conventional stepwise method for optimizing NEO wavefunctions for multicomponent systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1983

The ISPM solar-wind plasma experiment

The ISPM solar wind plasma experiment accurately characterizes the bulk flow and internal state conditions of the interplanetary plasma in three dimensions at all heliographic distances and heliographic latitudes reached by the spacecraft. Solar wind electrons, protons, alpha particles, and heavier ions are measured. Oxygen, silicon, and iron ions at various charge levels are resolved. Electrons and ions are measured simultaneously with independent curved-plate electrostatic analysers equipped with multiple continuous channel electron multipliers arranged so that particle velocity distributions are suitably resolved without gaps in spacecraft polar-angle space. Electrons with energies between 1 and 900 eV are detected at 7 polar angles and various combinations of azimuth angle to cover the unit sphere comprehensively. Ions are detected between 257 eV/Q and 35 keV/Q. Data matrices are obtained every 4 min when the spacecraft is actively transmitting and every 8 min during storage periods. These matrices contain sufficient energy and angle resolution to permit detailed calculations of ion velocity distributions.

Bame, S. J.↗
NASA NTRS2016

Probing Acceleration and Turbulence at Relativistic Shocks in Blazar Jets

Diffusive shock acceleration (DSA) at relativistic shocks is widely thought to be an important acceleration mechanism in various astrophysical jet sources, including radio-loud active galactic nuclei such as blazars. Such acceleration can produce the non-thermal particles that emit the broad-band continuum radiation that is detected from extragalactic jets. An important recent development for blazar science is the ability of Fermi-Large Area Telescope spectroscopy to pin down the shape of the distribution of the underlying non-thermal particle population. This paper highlights how multiwavelength spectra spanning optical to X-ray to gamma-ray bands can be used to probe diffusive acceleration in relativistic, oblique, magnetohydrodynamic (MHD) shocks in blazar jets. Diagnostics on the MHD turbulence near such shocks are obtained using thermal and non-thermal particle distributions resulting from detailed Monte Carlo simulations of DSA. These probes are afforded by the characteristic property that the synchrotron vF(sub v), peak energy does not appear in the gamma-ray band above 100 MeV. We investigate self-consistently the radiative synchrotron and inverse Compton signatures of the simulated particle distributions. Important constraints on the diffusive mean free paths of electrons, and the level of electromagnetic field turbulence are identified for three different case study blazars, Mrk 501, BL Lacertae and AO 0235+164. The X-ray excess of AO 0235+164 in a flare state can be modelled as the signature of bulk Compton scattering of external radiation fields, thereby tightly constraining the energy-dependence of the diffusion coefficient for electrons. The concomitant interpretations that turbulence levels decline with remoteness from jet shocks, and the probable significant role for non-gyroresonant diffusion, are posited.

Baring, Matthew G.↗
DOE OSTI2025

Nodal hybridization in a two-dimensional heavy-fermion material

Metals with partially filled core atomic shells can form quasiparticles at a low temperature arising from the hybridization of the core level and conduction electrons. The thermodynamic and spectroscopic properties of these metals can be understood as those of a simple metal, but with a significant mass enhancement over the free electron mass—commonly referred to as heavy fermions. In most heavy-fermion materials, the hybridization is approximately isotropic in position and momentum space. However, a combination of low dimensionality and symmetry properties of the core-level wavefunctions can give rise to highly anisotropic electronic interactions with the conduction electrons. Here, in this study, we demonstrate anisotropic hybridization that vanishes along specific directions in momentum space—referred to as nodes—in a lanthanide-based two-dimensional van der Waals heavy-fermion compound, CeSiI. Quasiparticle interference measurements reveal a set of discrete hotspots with high spectral intensity on the Fermi surface. Theoretical modelling and comparison with the quasiparticle interference pattern of the non-heavy-fermion isostructural analogue LaSiI suggest that these features arise from an unconventional electron interaction involving hybridization nodes unique to CeSiI. As a result, the effective mass of the quasiparticles varies by orders of magnitude depending on their direction in momentum space.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Molecule Origins of Dipolar Character in Excited Electronic States

The molecular level origins for symmetry breaking in the excited state of symmetrical quadrupolar molecules, particularly in polar solvents, was investigated using time-dependent density functional theory approaches. Molecules of the form ADA (A/D electron accepting/donating respectively), have been shown to break their symmetry upon excitation, producing an intramolecular charge transfer event and permanent dipole. Current research indicates that polar solvents stabilize the charge transfer event thereby producing asymmetrical solvent dynamics on opposite ends of the molecules. In this work key structural features of the molecule were identified including (1) incorporation of cyano groups, (2) rotation of grafted phenyl rings, and (3) the length of the conjugated R group chain. More specifically, incorporation of cyano groups appears to decrease the magnitude of the dipole in the excited state, thereby indicating that solvent interactions at these groups do not stabilize the charge transfer. While the rotation of the phenyl groups appears to be necessary to break the symmetry of the excited state in the molecule.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Uranium Doped Gallium Nitride Epitaxial Thin Films

Gallium nitride (GaN) is near ubiquitous in modern day technologies, forming the backbone of solid-state lighting and high-power electronics. Engineering the physical properties of GaN has been investigated to some degree by the incorporation or doping of most of the elements of the periodic table, but the actinides remain unexplored. Molecular beam epitaxy is used to demonstrate uranium doping of GaN single crystals. High structural quality of the host matrix is maintained despite partial elemental segregation of the uranium dopant into 1D structures at the levels presented here. Electronic transport measurements reveal relatively high conductivity, which persists down to cryogenic temperature and is characterized by the formation of narrow gaps in the electronic band structures very close to the Fermi level. Photoluminescence measurements reveal that the U-doped GaN exhibits optical behavior similar to that of the GaN substrate. The addition of actinide materials to a non-centrosymmetric, optically active, radiation-hard, and electronically tunable host matrix opens a world of possibilities for investigating and leveraging elements with high electron correlations in the pursuit of novel devices.

36 - MATERIALS SCIENCE↗
DOE OSTI2022

Even-Denominator Fractional Quantum Hall State at Filling Factor ν = 3 / 4

Fractional quantum Hall states (FQHSs) exemplify exotic phases of low-disorder two-dimensional (2D) electron systems when electron-electron interaction dominates over the thermal and kinetic energies. Particularly intriguing among the FQHSs are those observed at even-denominator Landau level filling factors, as their quasiparticles are generally believed to obey non-Abelian statistics and be of potential use in topological quantum computing. Such states, however, are very rare and fragile, and are typically observed in the excited Landau level of 2D electron systems with the lowest amount of disorder. Here we report the observation of a new and unexpected even-denominator FQHS at filling factor ν = 3/4 in a GaAs 2D hole system with an exceptionally high quality (mobility). Furthermore, our magnetotransport measurements reveal a strong minimum in the longitudinal resistance at ν = 3/4, accompanied by a developing Hall plateau centered at (h/e 2 )/(3/4). This even-denominator FQHS is very unusual as it is observed in the lowest Landau level and in a 2D hole system. While its origin is unclear, it is likely a non-Abelian state, emerging from the residual interaction between composite fermions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1996

X-Ray Photoemission Measurements of La(1-x)Ca(x)CoO3(x = 0, 0.5)

X-ray photoemission measurements of the core levels and valence electronic structure of LaCoO3 and La(0.5)Ca(0.5)CoO3 high quality epitaxial films are presented. Shifts of the core levels and main valence band features are consistent with a doping-induced change in the chemical potential. Oxygen states are found to significantly contribute to a peak in the valence band at 1 eV binding energy, verifying earlier results of cluster calculations. A Fermi level crossing of this same band upon doping is observed, yielding a high Fermi level density of states.

Vasquez, R. P.↗
NASA NTRS1974

Ac electronic tunneling at optical frequencies

Rectification characteristics of non-superconducting metal-barrier-metal junctions deduced from electronic tunneling have been observed experimentally for optical frequency irradiation of the junction. The results provide verification of optical frequency Fermi level modulation and electronic tunneling current modulation.

Faris, S. M.↗
NASA NTRS1982

Current oscillations in semi-insulating GaAs associated with field-enhanced capture of electrons by the major deep donor EL2

Current oscillations thermally activated by the release of electrons from deep levels in undoped semiinsulating GaAs were observed for the first time. They were attributed to electric field-enhanced capture of electrons by the dominant deep donor EL2 (antisite AsGa defect). This enhanced capture is due to the configurational energy barrier of EL2, which is readily penetrated by hot electrons.

Kaminska, M.↗
DOE OSTI2026

Autonomous fabrication of tailored defect structures in 2D materials using machine learning-enabled scanning transmission electron microscopy

Materials with tailored quantum properties can be engineered from atomic-scale assembly techniques, but existing methods often lack the agility and accuracy to precisely and intelligently control the manufacturing process. Here, we demonstrate a fully autonomous approach for fabricating atomic-level defects using electron beams in scanning transmission electron microscopy (STEM) that combines advanced machine learning and automated beam control. As a proof of concept, we achieved controlled fabrication of MoS-nanowire (MoS-NW) edge structures by iterative and targeted exposure of MoS 2 monolayer to a focused electron beam to selectively eject sulfur atoms, utilizing high-angle annular dark-field (HAADF) imaging for feedback-controlled monitoring of structural evolution of defects. A machine learning framework combining a random forest model and a convolutional neural network (CNN) was developed to decode the HAADF image and accurately identify atomic positions and species. This atomic-level information was then integrated into an autonomous decision-making platform, which applied predefined fabrication strategies to instruct beam control about atomic sites to be ejected. The selected sites were subsequently exposed to a localized electron beam using an FPGA-controlled scan routine with precise control over beam positioning and duration. While the MoS-NW edge structures produced exhibit promising mechanical and electronic properties, the proposed methods to build the autonomous fabrication framework is material-agnostic and can be extended to other 2D materials for the creation of diverse defect structures and heterostructures beyond Mo S2 .

Engineering↗
NASA NTRS1980

Experimental and theoretical investigations of the quality factor for N/+/P silicon solar cells

Many N(+)P silicon solar cells made with silicon from different growth techniques have current-voltage relations of the form: I = I(0) (exp(qV/AkT) - 1), where the quality factor A is nonintegral, is greater than 1, and shows a temperature dependence. The dark forward characteristics of such cells have been measured over a range of temperatures and the behavior of the factor A derived from them. Lack of agreement with previous models has led to the development of a new model, in which N(+) conduction electrons tunnel to deep levels near that side, these levels being due to junction contamination by impurities. Electron recombination then occurs with holes thermally assisted into the junction from the P side. This mechanism involves increased I(0) values over those for diffusion diode processes and thus reduces the cell power conversion efficiency.

Garlick, G. F. J.↗
DOE OSTI2021

Search For Electron-Antineutrinos Associated With 2 Gravitational-Wave Events GW150914, GW151012, GW151226, 3 GW170104, GW170608, GW170814, and GW170817 at Daya Bay

Providing a possible connection between neutrino emission and gravitational-wave (GW) bursts is important to our understanding of the physical processes that occur when black holes or neutron stars merge. In the Daya Bay experiment, using the data collected from December 2011 to August 2017, a search has been performed for electron-antineutrino signals coinciding with detected GW events, including GW150914, GW151012, GW151226, GW170104, GW170608, GW170814, and GW170817. We used three time windows of ±10 s, ±500 s, and ±1000 s relative to the occurrence of the GW events, and a neutrino energy range of 1.8 to 100 MeV to search for correlated neutrino candidates. The detected electron-antineutrino candidates are consistent with the expected background rates for all the three time windows. Assuming monochromatic spectra, we found upper limits (90% confidence level) on electron-antineutrino fluence of (1.13 - 2.44)×1011 cm-2 at 5 MeV to 8.0×107cm-2at 100 MeV for the three timewindows. Under the assumption of a Fermi-Dirac spectrum, the upper limits were found to be (5.4 - 7.0)×109 cm-2 for the three time windows.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗