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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Excitonic Effects in X-ray Absorption Spectra of Fluoride Salts and Their Surfaces

Given their natural abundance and thermodynamic stability, fluoride salts may appear as evolving components of electrochemical interfaces in Li-ion batteries and emergent multivalent ion cells. This is due to the practice of employing electrolytes with fluorine-containing species (salt, solvent, or additives) that electrochemically decompose and deposit on the electrodes. Operando X-ray absorption spectroscopy (XAS) can probe the electrode–electrolyte interface with a single-digit nanometer depth resolution and offers a wealth of insights into the evolution and Coulombic efficiency or degradation of prototype cells, provided that the spectra can be reliably interpreted in terms of local oxidation state, atomic coordination, and electronic structure about the excited atoms. Here we explore fluorine K-edge XAS of mono- (Li, Na, and K) and di-valent (Mg, Ca, and Zn) fluoride salts from a theoretical standpoint and discover a surprising level of detailed electronic structure information about these materials despite the relatively predictable oxidation state and ionicity of the fluoride anion and the metal cation. Utilizing a recently developed many-body approach based on the ΔSCF method, we calculate the XAS using density functional theory and experimental spectral profiles are well reproduced despite some experimental discrepancies in energy alignment within the literature, which we can correct for in our simulations. We outline a general methodology to explain shifts in the main XAS peak energies in terms of a simple exciton model and explain line-shape differences resulting from the mixing of core-excited states with metal d character (for K and Ca specifically). Given ultimate applications to evolving interfaces, some understanding of the role of surfaces and their terminations in defining new spectral features is provided to indicate the sensitivity of such measurements to changes in interfacial chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Optoelectronic property comparison for isostructural Cu 2 BaGeSe 4 and Cu 2 BaSnS 4 solar absorbers

To target mitigation of anti-site defect formation in Cu 2 ZnSnS 4–x Se x , a new class of chalcogenides, for which Ba or Sr (group 2) replace Zn (group 12), has recently been introduced for prospective solar absorber application. Cu 2 BaGeSe 4 (CBGSe) and Cu 2 BaSnS 4 (CBTS) are two such compounds, which share a common trigonal crystal structure (P3 1 space group) and similar quasi-direct band gap (~2 eV). While CBTS-based films have already been studied, there are no reports yet on films and solar cells based on related CBGSe. To identify key differences and similarities in the electronic properties between these two materials, electronic characteristics (e.g., carrier concentration, mobility, electron affinity, defect levels, recombination, and charge carrier kinetics) of vacuum-deposited CBGSe and CBTS films are compared using a variety of characterization methods. Hall effect measurements reveal that CBGSe films have relatively higher hole carrier concentration and lower mobility (3 × 10 15 cm –3 , 0.6 cm 2 V –1 s –1 ) compared to CBTS (5 × 10 12 cm –3 , 3.5 cm 2 V –1 s –1 ). Photoelectron spectroscopy yields low electron affinity values for both CBGSe (3.7 eV) and CBTS (3.3 eV), pointing to the necessity of pursuing low electron affinity buffer materials for both types of absorbers. At low temperatures, CBGSe films show free-exciton photoluminescence, as well as pronounced deep-level emission at ~1.4 eV, while CBTS films exhibit a strong bound-exciton signal with noticeably less intense deep-level emission than for CBGSe. Charge carrier kinetics, transport, and recombination properties of both types of films are also analyzed using optical-pump terahertz-probe spectroscopy and time-resolved microwave conductivity. The first CBGSe prototype solar cells (using chemical bath deposited CdS as a buffer layer) show a maximum of 1.5% efficiency with ~0.62 V open-circuit voltage. Furthermore, the measured properties point to possible limiting factors for CBGSe and related films for PV and optoelectronics and provide insights on possible approaches for improvement within this multinary chalcogenide family.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

System-Level Thermal Management and Reliability of Automotive Electronics: Goals and Opportunities Using Phase-Change Materials

Abstract Electronic packaging for automotive applications are at particular risk of thermomechanical failure due to the naturally harsh conditions it is exposed to. With the rise of electric and hybrid electric vehicles (EVs and HEVs), combined with a desire to miniaturize, the challenge of removing enough heat from electronic devices in automotive vehicles is evolving. This paper closely examines the new challenges in thermal management in various driving environments and aims to classify each existing cooling method in terms of performance. Particular focus is placed upon emerging solutions regarded to hold great potential, such as phase-change materials (PCMs). PCMs have been regarded for some time as a means of transferring heat quickly away from the region with the electronic components and are widely regarded as a possible means of carrying out cooling in large scale from small areas, because of their high latent heat of fusion, high specific heat, temperature stability, and small volume change during phase change, etc. They have already been utilized as a method of passive cooling in electronics in various ways, but their adoption in automotive power electronics, such as in traction inverters, has yet to be fulfilled. A brief discussion is made on some of the potential areas of application and challenges relating to more widespread adoption of PCMs, with reference to a case study using computational model of a commercially available power module used in automotive applications.

Engineering↗
NASA NTRS1983

Electron collisional rate coefficients for low-level transitions in hydrogen

There exists presently no general agreement concerning the collisional excitation rates of atomic hydrogen. The present investigation is concerned with the results reported by various investigators, taking into account the semiempirical rates of Johnson (1972), a study conducted by Aggarwal (1983), empirically based rates of Crandall et al. (1974), and the rates tabulated in Osterbrock (1974), based on the close-coupling calculations of Burke et al. (1967). It is found that there is a major conflict between the 'best' theoretical and Johnson values on the one hand, and the empirical data on the other. A study of the data shows that the Johnson value for the 1 to 2 rate agrees well with other theoretical calculations, and within 25 percent of empirical measurements, but that the Johnson 1 to 3 rate is 40-75 percent of the 'best' theoretical calculations.

Drake, S. A.↗
NASA NTRS1983

A comparison of radiation damage in liner ICs from cobalt-60 gamma rays and 2.2-MeV electrons

The total ionizing dose response of fourteen IC types from eight manufacturers was measured using Co-60 gamma rays and 2.2-MeV electrons for exposure levels of 100 to 20,000 Gy(Si). Key parameter measurements were made and compared for each device type. The data show that a Co-60 source is not a suitable simulation source for some systems because of the generally more damaging nature of electrons as well as the unpredictable nature of the individual device response to the two types of radiations used here.

Gauthier, M. K.↗
NASA NTRS1983

A comparison of radiation damage in linear ICs from Cobalt-60 gamma rays and 2.2 MeV electrons

The total ionizing dose response of fourteen IC types from eight manufacturers have been measured using Co-60 gamma rays and 2.2 MeV electrons for exposure levels of 100 to 20,000 Gy(Si). Key parameter measurements were made and compared for each device type. The data show that a Co-60 source may not be a suitable simulation source for some systems, because of the generally more damaging nature of electrons as well as the unpredictable nature of the individual device response to the two types of radiations used here.

Gauthier, M. K.↗
DOE OSTI2021

First-principles calculation of lattice distortions in four single phase high entropy alloys with experimental validation

Exceptional properties of high entropy alloys (HEAs) are attributed to the disordered random solid solution of multiple alloying elements. Despite numerous studies, the fundamental understanding at the electronic and atomic levels is still missing. We report a comparative study of four fcc HEAs of NiFeCoCr and NiFeCoCrX (X = Mn, Cu, or Pd) based on ab initio calculations using large supercells with 500 atoms in equal composition. After fully optimizing their structures using the VASP package, their electronic structure, interatomic bonding, partial charge distribution, and mechanical properties are calculated and compared, revealing the intricate interdependence among them. A novel parameter based on the quantum mechanical metric for internal cohesion, the total bond order density (TBOD), is used to interpret the calculated properties. The highest TBOD is found in Cantor alloy NiFeCoCrMn but lower in NiFeCoCrPd. The atomic radii vary depending on their local chemical environment. The resulting lattice distortions is validated experimentally in NiFeCoCrMn and NiFeCoCrPd. Moreover, modeling of Cu and Pd clustering in the supercell shows they have lower total energy in agreement with the observation of Cu-enhanced nano-participates in NiFeCoCrCu and Pd-induced concentration wave in NiFeCoCrPd HEAs.

36 MATERIALS SCIENCE↗
NASA NTRS2014

Texture-Induced Anisotropy in an Inconel 718 Alloy Deposited Using Electron Beam Freeform Fabrication

A test block of Inconel (IN) 718 was fabricated using electron beam freeform fabrication (EBF(sup 3)) to examine how the EBF(sup 3) deposition process affects the microstructure, crystallographic texture, and mechanical properties of IN 718. Tests revealed significant anisotropy in the elastic modulus for the as-deposited IN 718. Subsequent tests were conducted on specimens subjected to a heat treatment designed to decrease the level of anisotropy. Electron backscatter diffraction (EBSD) was used to characterize crystallographic texture in the as-deposited and heat treated conditions. The anisotropy in the as-deposited condition was strongly affected by texture as evidenced by its dependence on orientation relative to the deposition direction. Heat treatment resulted in a significant improvement in modulus of the EBF(sup 3) product to a level nearly equivalent to that for wrought IN 718 with reduced anisotropy; reduction in texture through recrystallization; and production of a more homogeneous microstructure.

Tayon, W.↗
NASA NTRS1987

Design of low noise, high performance X-ray charge-coupled-device cameras

This paper describes some of the critical details of the MIT X-ray CCD camera design. Special attention is given to those portions of the system that deviate from conventional practice in the design of CCD cameras. Furthermore, an attempt has been made to generalize the design so that both optical and X-ray requirements can be satisfied whenever possible. Currently, noise levels of less than 8 electrons rms are routinely achieved with this design, and even lower levels (less than 5 electrons) should be realizable.

Doty, J. P.↗
DOE OSTI2020

Field-Emission Electron Source Embedded in a Field-Enhanced Conduction-Cooled Superconducting RF Cavity

We present simulations and experimental progress toward the development of a high-current electron source with the potential to deliver high charge electron bunches at GHz-level repetition rates. To achieve these goals electrons are generated through field-emission and the cathode is immersed in a conduction-cooled superconducting 650-MHz RF cavity. The field-emitters consist of microscopic silicon pyramids and have a typical enhancement factor of about 500. To trigger field-emission, the peak field inside the RF cavity of about 6 MV/m is further enhanced by placing the field-emitters on the top of a superconducting Nb rod inserted in the RF cavity. So far, we cannot control the duration of the electron bunches which is of the order of RF period. Also, the present cryo-cooler power of about 2 W limits the beam current to microamp level.

43 PARTICLE ACCELERATORS↗
NASA NTRS1997

Method for Trace Oxygen Detection

Trace levels of molecular oxygen are measured by introducing a gas containing the molecular oxygen into a target zone, and impacting the molecular oxygen in the target zone with electrons at the O(-) resonant energy level for dissociative electron attachment to produce O(-) ions. Preferably, the electrons have an energy of about 4 to about 10 eV. The amount of O(-) ions produced is measured, and is correlated with the molecular oxygen content in the target zone. The technique is effective for measuring levels of oxygen below 50 ppb. and even less than 1 ppb. The amount of O(-) can be measured in a quadrupole mass analyzer. Best results are obtained when the electrons have an energy of about 6 to about 8 eV. and preferably about 6.8 eV. The method can be used for other species by selecting the appropriate electron energy level.

Man, Kim Fung↗
NASA NTRS1994

Multifrequency studies of bright radio supernova remnants. 2: W49B

We report radio observations of the supernova remnant W49B using the Very Large Array (VLA) of the NRAO at 90, 20, and 6 cm. This work continues the study of the properties of young, bright supernova remnants (SNRs) begun with 3C 391 (Moffett & Reynolds 1994). Here we present high-resolution images of total intensity, polarization, and spectral index of W49B. In large-scale morphology it is basically a box-shaped remnant expanding into an apparently inhomogeneous medium, but we also find small-scale structures, arcs and filaments, which lie interior to the outer shell in projection. The actual spatial position of the filaments is unknown, though we suspect that they are in the remnant interior rather than on the front or back face of the blast wave. In addition, their distribution in two dimensions suggests the projection of a helical structure. The shell edge, sharply rising in brightness for at least 3/4 of its circumference, still remains unresolved at our highest resolution (4 sec). This for our assumed distance of 8 kpc, the width of the region in which the emission appears is less than 0.16 pc, indicating short mean free paths for shock-accelerated electrons and high levels of MHD turbulence presumably causing the scattering. We find no polarized flux at 90 or 20 cm, with 3 sigma upper limits in polarized intensity of 36 mJy at 90 cm (45 sec resolution) and 7.2 mJy at 20 cm (5 sec resolution), or 22 micro-Jy/sq arcsec and 370 micro-jy/sq arcsec, respectively, for any emission extended on those scales. Polarized flux is present at 6 cm, but at a very low mean polarized fraction (total polarized flux divided by total flux) of 0.44% +/- 0.06%, which, as for 3C 391, is much lower than typical for bright SNRs at this frequency. The morphology in polarized intensity is poorly correlated with that in total intensity. We see excursions in the polarized fraction up to at least 10% in a few locations, but even where polarization is seen, typical levels are a few percent. Tangled or disordered magnetic fields in the emitting region of the radio shell may be responsible for depolarizing the radio synchrotron radiation, but some form of internal Faraday depolarization may also occur. We estimate the foreground Faraday rotation measure to be about -450 rad/sq m, similar to that found for 3C 391, which is also the Galactic plane and just about as distant. Spectral index images created from the total intensity images show that the spectral index across W49B is constant to within about Delta alpha approximately 0.1 in bright regions. This result weakly supports a common origin of the radio-emitting electrons, as in the blast wave, rather than in inhomogeneous turbulent regions of differing properties due to the stochastic (second-order Fermi) acceleration process. Variations at the level of Delta alpha approximately 0.1 are seen, but their significance is doubtful. New observations at 90 cm, using experimental three-dimensional imaging technology, may improve on this limit.

Moffett, David A.↗
DOE OSTI2023

Electrostatic charge buildup and electrostatic discharge monitoring system and method

A system for monitoring electrostatic charge buildup and electrostatic discharge (ESD) remotely comprises a plurality of electrostatic charge measurement units and a data acquisition device. Each electrostatic charge measurement unit includes a primary charge plate, a static sensor device, a secondary charge plate, and a shielded cable. The primary charge plate is positioned proximal to an object. The static sensor device includes an input sensor at which an electric voltage is measured and outputs an electronic signal whose level varies according to the measured electric voltage. The secondary charge plate is positioned in proximity to the input sensor of the static sensor device. The shielded cable includes an inner conductor electrically connected to the primary charge plate and the secondary charge plate and an outer conductor electrically connected to electrical ground. The data acquisition device receives the electronic signal from the static sensor device of each electrostatic charge measurement unit.

Schantz, Eric T.↗
NASA NTRS1994

The Titan haze revisted: Magnetospheric energy sorces quantitative tholin yields

We present laboratory measurements of the radiation yields of complex organic solids produced from N2/CH4 gas mixtures containing 10 or 0.1% CH4. These tholins are thought to resemble organic aerosols produced in the atmospheres of Titan, Pluto, and Triton. The tholin yields are large compared to the total yield of gaseous products: nominally, 13 (C + N)/100 eV for Titan tholin and 2.1 (C + N)/100 eV for Triton tholin. High-energy magnetospheric electrons responsible for tholin production represents a class distinct from the plasma electrons considered in models of Titan's aiglow. Electrons with E greater than 20 keV provide an energy flux approximately 1 x 10(exp -2) erg/cm/sec, implying from our measured tholin yields a mass flux of 0.5 to 4.0 x 10(exp -14) g/sq cm/sec of tholin. (The corresponding thickness of the tholin sedimentary column accumulated over 4 Gyr on Titan's surface is 4 to 30 m). This figure is in agreement with required mass fluxes computed from recent radiative transfer and sedimentation models. If, however, theses results, derived from experiments at approximately 2 mb, are applied to lower pressure levels toward peak auroral electron energy deposition and scaled with pressure as the gas-phase organic yields, the derived tholin mass flux is at least an order of magnitude less. We attrribute this difference to the fact that tholin synthesis occurs well below the level of maximum electron energy depositon and to possible contributions to tholis from UV-derived C2-hydrocarbons. We conclude that Tita tholin, produced by magnetospheric electrons, is alone sufficient to supply at least a significant fraction of Titan's haze-a result consistent with the fact that the optical properties of Titan tholin, among all proposed material, are best at reproducing Titan's geometric albedo spectrum from near UV to mid-IR in light-scattering models.

Thompson, W. Reid↗
DOE OSTI2020

Electron Trapping and Ion Leaching at the Li-Modified Quartz–Water Interface

Electrons and ions at metal oxide-water interfaces have a critical role in many phenomena and applications, thus making their properties of considerable interest. We here investigate the behavior of a lithium impurity at the water interface with Li-doped SiO 2 using hybrid density functional based ab initio molecular dynamics simulations. We find that the excess electron donated by the lithium dopant localizes on a surface silicon atom and is partially solvated at the aqueous interface. While the position of the excess electron does not change during our ~60 ps simulation, the lithium cation diffuses from its initial position in the SiO 2 subsurface toward the interface and eventually leaches out of the oxide surface and becomes solvated by four water molecules, forming an aqueous Li+- electron complex at the interface. The degree of interaction between the localized electron and the lithium ion controls not only the energy level of the excess electron but also the extent of structural distortion and hydrogen-bonding at the interface. The results of our study can be relevant for understanding the initial stages of glass corrosion, where alkali ions are leached from the surface region by interactions with water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

The Titan haze revisited: magnetospheric energy sources and quantitative tholin yields

We present laboratory measurements of the radiation yields of complex organic solids produced from N2/CH4 gas mixtures containing 10 or 0.1% CH4. These tholins are thought to resemble organic aerosols produced in the atmospheres of Titan, Pluto, and Triton. The tholin yields are large compared to the total yield of gaseous products: nominally, 13 (C + N)/100 eV for Titan tholin and 2.1 (C + N)/100 eV for Triton tholin. High-energy magnetospheric electrons responsible for tholin production represent a class distinct from the plasma electrons considered in models of Titan's airglow. Electrons with E > 20 keV provide an energy flux approximately 1 x 10(-2) erg cm-2 sec-1, implying from our measured tholin yields a mass flux of 0.5 to 4.0 x 10(-14) g cm-2 sec-1 of tholin. (The corresponding thickness of the tholin sedimentary column accumulated over 4 Gyr on Titan's surface is 4 to 30 m.) This figure is in agreement with required mass fluxes computed from recent radiative transfer and sedimentation models. If, however, these results, derived from experiments at approximately 2 mb, are applied to lower pressure levels toward peak auroral electron energy deposition and scaled with pressure as the gas-phase organic yields, the derived tholin mass flux is at least an order of magnitude less. We attribute this difference to the fact that tholin synthesis occurs well below the level of maximum electron energy deposition and to possible contributions to tholins from UV-derived C2-hydrocarbons. We conclude that Titan tholin, produced by magnetospheric electrons, is alone sufficient to supply at least a significant fraction of Titan's haze--a result consistent with the fact that the optical properties of Titan tholin, among all proposed materials, are best at reproducing Titan's geometric albedo spectrum from near UV to mid-IR in light-scattering models.

Non-NASA Center↗
DOE OSTI2022

Deep level transient spectroscopy and photoluminescence studies of hole and electron traps in ZnSnP 2 bulk crystals

ZnSnP 2 , an emerging inorganic material for solar cells, was characterized by deep level transient spectroscopy (DLTS) and photoluminescence (PL). Acceptor- and donor-like traps with shallow energy levels were detected by DLTS analysis. The previous study based on first-principle calculation also suggested such traps were due to antisite defects of Zn and Sn. PL measurements also revealed sub-gap transitions related to these trap levels. Furthermore, DLTS found a trap with a deep level in ZnSnP 2 . A short lifetime of minority carrier in previous work might be due to such trap, coming from phosphorus vacancies and/or zinc interstitials suggested by the first-principle study.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗