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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Synthesis, Structures, and Transport Properties of Quaternary Ba–Ag– Tr –As Materials ( Tr = Ga, In)

The synthesis, structures, and properties of two quaternary barium–arsenide materials are presented. The first, Ba 4 Ag 2.3 In 1.7 As 8 , is a novel material with the monoclinic unit cell ( P 2 1 / m space group). The layered crystal structure of Ba 4 Ag 2.3 In 1.7 As 8 may be considered a lower‐symmetry, distorted analog of the LaCuSb 2 structure. The structure features a rare As fragment, cis‐trans As chains along the [010] direction. Large crystals of Ba 4 Ag 2.3 In 1.7 As 8 can be grown from Bi flux and are used for subsequent transport property measurements. Electrical resistivity and heat capacity properties are reported, establishing Ba 4 Ag 2.3 In 1.7 As 8 as a metallic phase. The second material, Ba 4 AgGa 5 As 8 , is a 3D material that crystallizes in the orthorhombic unit cell (noncentrosymmetric and polar Iba 2 space group). Expanding upon its original discovery, the optimized synthetic profile for single‐phase polycrystalline samples as well as transport properties relevant to thermoelectric applications are presented. Ba 4 AgGa 5 As 8 exhibits a high Seebeck coefficient of 290 μV K −1 at room temperature, indicative of lower carrier concentrations typical for nonmetallic phases. Electrical resistivity measurements also affirm conventional semiconducting behavior for Ba 4 AgGa 5 As 8 .

Kyveryga, Victoria [Department of Chemistry Iowa S↗
DOE OSTI2025

An NCrystal extension for thermal neutron scattering in MCNP

A new extension for MCNP has been developed that incorporates the NCrystal thermal scattering package in the form of a Fortran to C++ wrapper, which adds the capability to describe thermal neutron scattering in the NCrystal formalism instead of the ACE tabular format. This can be used to described poly- or single-crystalline materials as well as liquids. In conclusion, the functionality of this extension to MCNP is illustrated using a layered crystal monochromator, leakage of neutrons from a moderating sphere of material, and by simulating criticality benchmarks.

MCNP↗
DOE OSTI2024

Photophysics and Carrier Dynamics of Lasing in Quasi-2D Lead Halide Perovskites

Quasi-2D perovskites have recently been extensively studied due to their narrow-bandwidth-tunable emission, solution processability, and applicability as optical gain media. Quasi-2D perovskites are composed of inorganic perovskite crystal layers encapsulated with a bulky organic ligand such as phenylethylammonium, endowing the perovskite with a quantum-well structure and improved stability. In this article, we explore the photophysics of a quasi-2D metal halide perovskite as a promising light-harvesting and emitting medium. We find it exhibits high optical absorption (~10 5 cm -1 ) and an optically pumped amplified spontaneous emission threshold at 623 μJ/cm 2 . We study charge transfer processes in the complex mixed quantum wells of these perovskites through transient absorption and time-resolved photoluminescence measurements and develop a phenomenological model that incorporates optical gain for lasing. Further, while both free carriers and excitons are observed, we show surprisingly that photoluminescence is dominated by excitons despite the relatively small binding energy (~16 meV) of the low-energy band edge. Additionally, we extract the rates of exciton relaxation pathways, revealing a relatively large radiative term of 4.6 x 10 8 s -1 as well as an exciton-exciton annihilation term of 3.6 x 10 -13 cm 3 s -1 that is 3 orders of magnitude smaller than in similar quasi-2D perovskites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Direct observation of twisted stacking domains in the van der Waals magnet CrI 3

Van der Waals (vdW) stacking is a powerful technique to achieve desired properties in condensed matter systems through layer-by-layer crystal engineering. A remarkable example is the control over the twist angle between artificially-stacked vdW crystals, enabling the realization of unconventional phenomena in moiré structures ranging from superconductivity to strongly correlated magnetism. Here, we report the appearance of unusual 120° twisted faults in vdW magnet CrI 3 crystals. In exfoliated samples, we observe vertical twisted domains with a thickness below 10 nm. The size and distribution of twisted domains strongly depend on the sample preparation methods, with as-synthesized unexfoliated samples showing tenfold thicker domains than exfoliated samples. Cooling induces changes in the relative populations among different twisting domains, rather than the previously assumed structural phase transition to the rhombohedral stacking. The stacking disorder induced by sample fabrication processes may explain the unresolved thickness-dependent magnetic coupling observed in CrI 3 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Large Rashba spin splittings in bulk and monolayer of BiAs

There is great interest in developing new materials with Rashba split bands near the Fermi level for spintronics. Here, using first-principles calculations, we predict BiAs as a semiconductor with large Rashba splitting in bulk and monolayer forms. Bulk BiAs has a layered crystal structure with two atoms in a rhombohedral primitive cell, derived from the structure of the parent Bi and As elemental phases. It is a narrow band gap semiconductor, and it shows a combination of Rashba and Dresselhaus spin splitting with a characteristic spin texture around the L point in the Brillouin zone of the hexagonal conventional unit cell. It has sizable Rashba energies and Rashba coupling constants in the valence and conduction bands at the band edges. The 2D monolayer of BiAs has a much larger band gap at Γ, with a circular spin texture characteristic of a pure Rashba effect. The Rashba energy and Rashba coupling constant of monolayer BiAs are large compared to other known 2D materials and rapidly increase under biaxial tensile strain.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Ion implanted epitaxially grown ZnSe

The epitaxial growth of ZnSe on (100) Ge using the close-spaced transport process is described. Substrate temperature of 575 C and source temperatures of 675 C yield 10 micron, single crystal layers in 10 hours. The Ge substrates provides a nonreplenishable chemical transport agent and the epitaxial layer thickness is limited to approximately 10 microns. Grown epitaxial layers show excellent photoluminescence structure at 77 K. Grown layers exhibit high resistivity, and annealing in Zn vapor at 575 C reduces the resistivity to 10-100 ohms-cm. Zinc vapor annealing quenches the visible photoluminescence.

Source record↗
NASA NTRS1975

A real-time optical data processing device

The design, operation, and structure of the hybrid field effect light valve, a real-time input device for application to coherent optical data processing (CODP), is described. The device consists of a sandwich of thin films that electrically control the optical birefringence of a thin (2 micrometer) liquid crystal layer. It has high resolution (greater than 100 1/mm), contrast ratio (greater than 100:1), speed (10 sec on, 15 sec off) and input sensitivity (about 0.3 ergs/sq cm) in addition to cost and size advantages. Performance data for a laboratory model are presented.

Jacobson, A.↗
NASA NTRS1981

GaAs shallow-homojunction solar cells

The feasibility of fabricating space resistant, high efficiency, light weight, low cost GaAs shallow homojunction solar cells for space application is investigated. The material preparation of ultrathin GaAs single crystal layers, and the fabrication of efficient GaAs solar cells on bulk GaAs substrates are discussed. Considerable progress was made in both areas, and conversion efficiency about 16% AMO was obtained using anodic oxide as a single layer antireflection coating. A computer design shows that even better cells can be obtained with double layer antireflection coating. Ultrathin, high efficiency solar cells were obtained from GaAs films prepared by the CLEFT process, with conversion efficiency as high as 17% at AMI from a 10 micrometers thick GaAs film. A organometallic CVD was designed and constructed.

Fan, J. C. C.↗
NASA NTRS1984

Oxidation-Resistant Slurry Coating for Carbon-Based Materials

New process uses paint sprayer and vacuum furnace to produce silicon carbide outer layer. In cross section of silicon and silicon carbide reaction zone, top layer of silicon adheres to silicon carbide layer. Crystals prominent on melted top surface of slurry coating. Process especially useful in coating repair.

Smialek, J. L.↗
NASA NTRS1982

High efficiency, low cost thin GaAs solar cells

The feasibility of fabricating space-resistant, high efficiency, light-weight, low-cost GaAs shallow-homojunction solar cells for space application is demonstrated. This program addressed the optimal preparation of ultrathin GaAs single-crystal layers by AsCl3-GaAs-H2 and OMCVD process. Considerable progress has been made in both areas. Detailed studies on the AsCl3 process showed high-quality GaAs thin layers can be routinely grown. Later overgrowth of GaAs by OMCVD has been also observed and thin FaAs films were obtained from this process.

Fan, J. C. C.↗
NASA NTRS1990

The relation between ferroelasticity and superconductivity

The high-temperature superconductivity is explained widely by the layered crystal structure. The one- and two-dimensional subsystems and their interaction are investigated here. It is assumed that the high-T(sub c) superconductivity takes place in the two-dimensional subsystem and the increase of the phase transition temperature from 60 K up to 90 K is the consequence of turning on the influence of one-dimensional chains. The interaction between the two subsystems is transferred along the c axis by the phonons of breathing mode, which causes the hybridization of the electronic bonds between these subsystems. The experimental works indicate that the existence of both the chains Cu(1)-O and their interaction with the superconducting plane of Cu(2)-O modify the temperature of the transition to the superconducting state. It is seen from the neutron scattering data that the rates of the interatomic distance dependencies on temperature are changed around 140 K and 90 K. The 'zig-zag' order in Cu(1)-O chains has been postulated but, on the other hand, the vibrations with a large amplitude only were reported. The bi-stabilized situation of the oxygen ions can be caused by the change of distance between these ions and the Ba ions. It leads to the appearance of a two-well potential. Its parameters depend on temperature and the dynamics of the oxygen ions' movement. They can induce the antipolar order, which can be, however, more or less chaotic. The investigation of the ferroelastic properties of Y-Ba-Cu-O samples lead to the conclusion that they are related to jumps of ions inside the given chain and not to a diffusion between different sites in the ab plane. Researchers deduce thus that the fluctuating oxygen ions from these chains create dipoles in the ab plane. They can be described with the pseudo-spin formalism/ - Pauli matrices/. The system can be described with the Ising model. The pseudo-spins interact with phonons and influence the superconductivity in the second subsystem.

Molak, A.↗
NASA NTRS1991

The relation between ferroelasticity and superconductivity

The high-temperature superconductivity is explained widely by the layered crystal structure. The one- and two-dimensional subsystems and their interaction are investigated here. It is assumed that the high-T(sub c) superconductivity takes place in the two-dimensional subsystem and the increase of the phase transition temperature from 60 K up to 90 K is the consequence of turning on the influence of one-dimensional chains. The interaction between the two subsystems is transferred along the c axis by the phonons of breathing mode, which causes the hybridization of the electronic bonds between these subsystems. The experimental works indicate that the existence of both the chains Cu(1)-O and their interaction with the superconducting plane of Cu(2)-O modify the temperature of the transition to the superconducting state. It is seen from the neutron scattering data that the rates of the interatomic distance dependencies on temperature are changed around 240 K and 90 K. The 'zig-zag' order in Cu(1)-O chains has been postulated but, on the other hand, the vibrations with a large amplitude only were reported. The bi-stabilized situation of the oxygen ions can be caused by the change of distance between these ions and the Ba ions. It leads to the appearance of a two-well potential. Its parameters depend on temperature and the dynamics of the oxygen ions' movement. They can induce the antipolar order, which can be, however, more or less chaotic. The investigation of the ferroelastic properties of Y-Ba-Cu-O samples lead to the conclusion that they are related to jumps of ions inside the given chain and not to a diffusion between different sites in the ab plane. Researchers deduce, thus, that the fluctuating oxygen ions from these chains create dipoles in the ab plane. They can be described with the pseudo-spin formalism (- Pauli matrices). The system can be described with the Ising model. The pseudo-spins interact with phonons and influence the superconductivity in the second subsystem.

Molak, A.↗
NASA NTRS1991

Organometallic chemical vapor deposition and characterization of ZnGe(1-x)Si(x)P2-Ge alloys on GaP substrates

In this paper, we report the epitaxial growth of ZnGe(1-x)Si(x)P2-Ge alloys on GaP substrates by open tube OMCVD. The chemical composition of the alloys characterized by energy dispersive X-ray spectroscopy shows that alloys with x up to 0.13 can be deposited on (001) GaP. Epitaxial growth with mirror smooth surface morphology has been achieved for x less than or equals to 0.05. Selected area electron diffraction pattern of the alloy shows that the epitaxial layer crystallizes in the chalcopyrite structure with relatively weak superlattice reflections indicating certain degree of randomness in the cation sublattice. Hall measurements show that the alloys are p-type, like the unalloyed films; the carrier concentration, however, dropped about 10 times from 2 x 10 exp 18 to 2 x 10 exp 17/cu cm. Absorption measurements indicate that the band tailing in the absorption spectra of the alloy has been shifted about 0.04 eV towards shorter wavelength as compared to the unalloyed material.

Xing, G. C.↗
NASA NTRS1993

Organometallic chemical vapor deposition and characterization of ZnGe(1-x)Si(x)P2-Ge alloys on GaP substrates

The epitaxial growth of ZnGe(1-x)Si(x)P2-Ge alloys on GaP substrates by open tube organometallic chemical vapor deposition (OMCVD) is reported. The chemical composition of the alloys characterized by energy dispersive X-ray spectroscopy shows that alloys with x up to 0.13 can be deposited on (001) GaP. Epitaxial growth with mirror smooth surface morphology was achieved for x less than or equal to 0.05. Transmission electron microscopy (TEM) micrographs of these alloys show specular epitaxy and the absence of microstructural defects indicating a defect density of less than 10(exp 7) cm(sup -2). Selected area electron diffraction pattern of the alloy shows that the epitaxial layer crystallizes in the chalcopyrite structure with relatively weak superlattice reflections indicating certain degree of randomness in the cation sublattice. Hall measurements show that the alloys are p-type, like the unalloyed films; the carrier concentration, however, dropped about 10 times from 2 x 10(exp 18) to 2 x 10(exp 17) cm(sup -3). Absorption measurements indicate that the band tailing in the absorption spectra of the alloy was shifted about 0.04 eV towards shorter wavelength as compared to the unalloyed material. Diodes fabricated from the n(+)-GaP/p-ZnSiP2-ZnGeP2-Ge heterostructure at x = 0.05 have a reverse break-down voltage of -10.8 V and a reverse saturation current density of approximately 6 x 10(exp -8) A/sq cm.

Xing, G. C.↗
NASA NTRS1995

Liquid crystal point diffraction interferometer

A new instrument, the liquid crystal point diffraction-interferometer (LCPDI), has been developed for the measurement of phase objects. This instrument maintains the compact, robust design of Linnik's point diffraction interferometer (PDI) and adds to it phase stepping capability for quantitative interferogram analysis. The result is a compact, simple to align, environmentally insensitive interferometer capable of accurately measuring optical wavefronts with very high data density and with automated data reduction. This dissertation describes the theory of both the PDI and liquid crystal phase control. The design considerations for the LCPDI are presented, including manufacturing considerations. The operation and performance of the LCPDI are discussed, including sections regarding alignment, calibration, and amplitude modulation effects. The LCPDI is then demonstrated using two phase objects: defocus difference wavefront, and a temperature distribution across a heated chamber filled with silicone oil. The measured results are compared to theoretical or independently measured results and show excellent agreement. A computer simulation of the LCPDI was performed to verify the source of observed periodic phase measurement error. The error stems from intensity variations caused by dye molecules rotating within the liquid crystal layer. Methods are discussed for reducing this error. Algorithms are presented which reduce this error; they are also useful for any phase-stepping interferometer that has unwanted intensity fluctuations, such as those caused by unregulated lasers.

Mercer, Carolyn R.↗
NASA NTRS2002

Effective Ice Particle Densities for Cold Anvil Cirrus

This study derives effective ice particle densities from data collected from the NASA WB-57F aircraft near the tops of anvils during the Cirrus Regional Study of Tropical Anvils and Cirrus Layers (CRYSTAL) Florida Area Cirrus Experiment (FACE) in southern Florida in July 2002. The effective density, defined as the ice particle mass divided by the volume of an equivalent diameter liquid sphere, is obtained for particle populations and single sizes containing mixed particle habits using measurements of condensed water content and particle size distributions. The mean effective densities for populations decrease with increasing slopes of the gamma size distributions fitted to the size distributions. The population-mean densities range from near 0.91 g/cu m to 0.15 g/cu m. Effective densities for single sizes obey a power-law with an exponent of about -0.55, somewhat less steep than found from earlier studies. Our interpretations apply to samples where particle sizes are generally below 200-300 microns in maximum dimension because of probe limitations.

Heymsfield, Andrew J.↗
NASA NTRS2004

Observations of Florida Convective Storms using Dual Wavelength Airborne Radar

NASA conducted the Cirrus Regional Study of Tropical Anvils and Cirrus Layers (CRYSTAL) Florida Area Cirrus Experiment (FACE) during July 2002 for improved understanding of tropical cirrus. One of the goals was to improve the understanding of cirrus generation by convective updrafts. The reasons why some convective storms produce extensive cirrus anvils is only partially related to convective instability and the vertical transport ice mass by updrafts. Convective microphysics must also have an important role on cirrus generation, for example, there are hypotheses that homogeneous nucleation in convective updrafts is a major source of anvil ice particles. In this paper, we report on one intense CRYSTAL-FACE convective case on 16 July 2002 that produced extensive anvil. During CRYSTAL-FACE, up to 5 aircraft flying from low- to high-altitudes, were coordinated for the study of thunderstorm-generated cirrus. The NASA high-altitude (20 km) ER-2 aircraft with remote sensing objectives flew above the convection, and other aircraft such as the WB-57 performing in situ measurements flew below the ER-2. The ER-2 remote sensing instruments included two nadir viewing airborne radars. The CRS 94 GHz radar and the EDOP 9.6 GHz radar were flown together for the first time during CRYSTAL-FACE and they provided a unique opportunity to examine the structure of 16 July case from a dual-wavelength perspective. EDOP and CRS are complementary for studying convection and cirrus since CRS is more sensitive than EDOP for cirrus, and EDOP is considerably less attenuating in convective regions. In addition to the aircraft, coordinated ground-based radar measurements were taken with the NPOL S-Band (3 GHz) multiparameter radar. One of the initial goals was to determine whether dual-wavelength airborne measurements could identify supercooled water regions.

Heymsfield, G. M.↗
NASA NTRS2004

Observations of Florida Convective Storms Using Dual Wavelength Airborne Radar

NASA conducted the Cirrus Regional Study of Tropical Anvils and Cirrus Layers (CRYSTAL) Florida Area Cirrus Experiment (FACE) during July 2002 for improved understanding of tropical cirrus. One of the goals was to improve the understanding of cirrus generation by convective updrafts. The reasons why some convective storms produce extensive cirrus anvils is only partially related to convective instability and the vertical transport ice mass by updrafts. Convective microphysics must also have an important role on cirrus generation, for example, there are hypotheses that homogeneous nucleation in convective updrafts is a major source of anvil ice particles. In this paper, we report on one intense CRYSTAL- FACE convective case on 16 July 2002 that produced extensive anvil.

Heymsfield, G. M.↗