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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

Preparation for microgravity - The role of the Microgravity Material Science Laboratory

Experiments at the NASA Lewis Research Center's Microgravity Material Science Laboratory using physical and mathematical models to delineate the effects of gravity on processes of scientific and commercial interest are discussed. Where possible, transparent model systems are used to visually track convection, settling, crystal growth, phase separation, agglomeration, vapor transport, diffusive flow, and polymer reactions. Materials studied include metals, alloys, salts, glasses, ceramics, and polymers. Specific technologies discussed include the General Purpose furnace used in the study of metals and crystal growth, the isothermal dendrite growth apparatus, the electromagnetic levitator/instrumented drop tube, the high temperature directional solidification furnace, the ceramics and polymer laboratories and the center's computing facilities.

Johnston, J. Christopher↗
NASA NTRS1981

Development of lead salt semiconductor lasers for the 9-17 micron spectral region

Improved diode lasers of Pb sub 1-x Sn sub x Se operating in the 9-17 micrometers spectral region were developed. The performance characteristics of the best lasers exceeded the contract goals of 500 microW/mode at T 30K in the 9-12 micrometers region and 200 microW/mode at T 18K in the 16-17 micrometers region. Increased reliability and device yields resulted from processing improvements which evolved from a series of diagnostic studies. By means of Auger electron spectroscopy, laser shelf storage degradation was shown to be characterized by the presence of In metal on the semiconductor crystal surfaces. Studies of various metal barrier layers between the crystals and the In metal led to the development of an improved metallurgical contacting technology which has resulted in devices with performance stability values exceeding the contract goal of a one year shelf life. Lasers cycled over 500 times between 300K and 77K were also shown to be stable. Studies on improved methods of fabricating striped geometry lasers indicated that good spectral mode characteristics resulted from lasers which stripe widths of 12 and 25 micrometers.

Linden, K. J.↗
NASA NTRS1994

A Chebyshev Collocation Method for Moving Boundaries, Heat Transfer, and Convection During Directional Solidification

Free and moving boundary problems require the simultaneous solution of unknown field variables and the boundaries of the domains on which these variables are defined. There are many technologically important processes that lead to moving boundary problems associated with fluid surfaces and solid-fluid boundaries. These include crystal growth, metal alloy and glass solidification, melting and name propagation. The directional solidification of semi-conductor crystals by the Bridgman-Stockbarger method is a typical example of such a complex process. A numerical model of this growth method must solve the appropriate heat, mass and momentum transfer equations and determine the location of the melt-solid interface. In this work, a Chebyshev pseudospectra collocation method is adapted to the problem of directional solidification. Implementation involves a solution algorithm that combines domain decomposition, finite-difference preconditioned conjugate minimum residual method and a Picard type iterative scheme.

Zhang, Yiqiang↗
DOE OSTI2020

Electronic and Vibrational Contributions to the Bulk Stabilities of Trivalent 3d Transition Metal Oxyhydroxides from Electronic Structure Calculations

Any understanding of the thermodynamic driving forces active in the global cycles of earth abundant metals requires attendant knowledge of the bulk mineral free energies. This can be particularly challenging for metal (oxyhydr)oxide phases which at low temperature aqueous conditions can be produced at a variety of hydration states and particle sizes. Here we present high quality density functional theory calculations of the relative bulk stabilities of a geologically important family of polymorphic trivalent metal oxyhydroxide crystal structures MOOH (M=Cr, Al, Fe). To improve understanding of their relative stabilities we permute the metal cations into the various possible canonical structure types including goethite (isostructural to diaspore and bracewillite), lepidocrocite (isosctructural to boehmite), guyaniite, and grimaldiite. Electronic, vibrational, and magnetic contributions are considered on a consistent theoretical footing using hybrid functionals and converged plane-wave bases. We find the considered bulk structures to be thermodynamically degenerate within the precision of the available theory, despite the fact that the vibrational and magnetic contributions vary substantially among the cations. A significant conclusion is that Cr3+ supports strong hydrogen bonds, low O-H stretching frequencies and facile H movement relative to the other cations.

Prange, Micah P.↗
NASA NTRS1980

Adhesion and friction of single-crystal diamond in contact with transition metals

An investigation was conducted to examine the adhesion and friction of single-crystal diamond in contact with various transition metals and the nature of metal transfer to diamond. Sliding friction experiments were conducted with diamond in sliding contact with the metals yttrium, titanium, zirconium, vanadium, iron, cobalt, nickel, tungsten, platinum, rhenium and rhodium. All experiments were conducted with loads of 0.05 to 0.3 N, at a sliding velocity of 0.003 m per minute, in a vacuum of 10 to the -8th Pa, at room temperature, and on the (111) plane of diamond with sliding in the 110 line type direction. The results of the investigation indicate that the coefficient of friction for diamond in contact with various metals is related to the relative chemical activity of the metals in high vacuum. The more active the metal, the higher the coefficient of friction. All the metals examined transferred to the surface of diamond in sliding.

Miyoshi, K.↗
NASA NTRS1982

Petrography, mineral chemistry and origin of Type I enstatite chondrites

The petrography and mineralogy of four Type I enstatite chondrites were examined by optical and cathololuminescent and electron microprobe means to discern particular chemical and mechanical processes present during solar system condensation. The specimens examined included sections of the Indarch, Abee, Kota-Kota, and Adhi-Kot chondrites. Textural interpretations were performed, as well as chemical analyses of the degree of similarity of the clinoenstatite, olivine, accessory silicates, metal, schreibersite, troilite, oldhamite, and niningerite grains in each sample. Simple models of progressive condensation either at equilibrium or with mechanical removal of early condensates were ruled out due to the occurrence of both blue and red enstatite crystals in metal clasts. A need for sequential processes of mixing, melting, crystallization, condensation, fracturing, and mechanical aggregation are suggested as necessary to model the formation mechanisms of the mineral aggregates.

Leitch, C. A.↗
DOE OSTI2022

Structure and magnetism across the Sr 2- x Ba x NiOsO 6 phase diagram: Understanding magnetic superexchange between first and third row transition metal ions

The crystal chemistry and magnetism of compositions in the Sr 2-x Ba x NiOsO 6 phase diagram have been investigated to better understand the superexchange interactions between 3d and 5d transition metal ions. Compositions with x ​< ​1.35 crystallize with the double perovskite structure, while those with x ​> ​1.83 crystallize in a trigonal structure that is a cation ordered variant of the 6H hexagonal perovskite structure. The Sr-rich double perovskites undergo a cubic to tetragonal distortion upon cooling that is driven by out-of-phase octahedral tilting. The tetragonal distortion occurs upon cooling below 650 ​K in Sr 2 NiOsO 6 . The temperature of this transition decreases as the barium content increases and is completely suppressed for x ​≥ ​1.2. All compositions in the double perovskite region become spin glasses below T g ​≈ ​40 ​K, due to the competition between ferromagnetic Ni–Os and antiferromagnetic Ni–Ni and Os–Os superexchange interactions. The double perovskite compositions that are rich in barium, like Sr 0.8 Ba 1.2 NiOsO 6 show some signs of magnetic ordering in small clusters, but the presence of Ba/Sr disorder inhibits long-range magnetic order. Trigonal Ba 2 NiOsO 6 orders ferrimagnetically below T C ​= ​108 ​K. In conclusion, the magnetic structure of this compound contains ferromagnetic ~180° Ni–O–Os interactions and antiferromagnetic ~90° Ni–O–Os interactions, both in agreement with the Goodenough-Kanamori rules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Onion-Like nanoparticles of the metal–organic framework UiO-66 synthesized by sequential spike crystal growth

Reproducible size and morphology of metal–organic framework (MOF) particles are essential for tuning these materials for applications like heterogeneous catalysis. Particle size measurements from electron micrographs provide information about the impact of changing synthetic parameters on MOF growth, but reported data are usually limited to averages and statistical distributions. Further elucidating synthetic control parameters could facilitate studies of facet-dependent and non-classical growth mechanisms. Here, in this work, phase-pure nanoparticles of the MOF UiO-66 were synthesized using alternating spikes of zirconium and hafnium-based nodes, forming an onion-like structure with alternating layers of Zr-UiO-66 and Hf-UiO-66. In conventional, bright-field transmission electron micrographs, Hf-UiO-66 and Zr-UiO-66 layers appeared darker and lighter, respectively. Alternating layers of Hf-UiO-66 and Zr-UiO-66 were also apparent in elemental maps obtained using scanning transmission electron microscopy with energy-dispersive X-ray spectroscopy. Average particle sizes increased monotonically with each spike, and no Zr-only or Hf-only particles were observed after the first spike, indicating that new material was consistently incorporated onto existing seeds. Surface area of the onion-like particles and their uptake of Ni 2+ from solution were both between the values measured for Zr-UiO-66 and Hf-UiO-66. Results demonstrate the use of sequential spikes of nodes in monitoring crystal growth in MOFs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Peak states of molybdenum single crystals shock compressed to high stresses

In this work, to determine crystal anisotropy effects at high stresses, peak states behind the plastic shock waves were examined in BCC single crystals. Using plate impact experiments, molybdenum (Mo) single crystals were shock compressed up to 190 GPa elastic impact stress along [100], [110], and [111] orientations. Laser interferometry was used to measure wave velocities and particle velocity profiles at the Mo–LiF window interface. These data were analyzed to obtain in-material quantities in the peak states. The Hugoniots for [100] and [110] orientations were comparable, but the Hugoniot for the [111] orientation was different from the other two orientations. Also, these Mo single crystal Hugoniots display differences from the polycrystalline Mo Hugoniots. Although none of the differences can be considered large, the present results demonstrate that, unlike FCC metal single crystals (Cu, Al), some anisotropy is preserved in Mo single crystal Hugoniots even at high stresses.

36 MATERIALS SCIENCE↗
NASA NTRS1977

Auger spectroscopy analysis in adhesion, friction and wear studies

The paper reviews the current use of Auger electron spectroscopy in adhesion, friction, wear and lubrication studies. Conventional Auger spectroscopy is adopted to complement LEED studies of the adhesion of metal single crystals. In addition, Auger cylindrical mirror analysis is applied to the study of changes in surface chemistry during dynamic friction and wear experiments on polycrystalline metals and alloys. Important conclusions are that (1) segregation of alloying elements to the surface of metals can alter adhesion behavior; (2) hydrocarbons are adsorbed readily to clean iron surfaces at 23 C; (3) transfer from one surface to another for dissimilar materials in contact can be followed in sliding or rubbing friction studies; and (4) the friction process can enhance surface activity for metals with hydrocarbons.

Buckley, D. H.↗
DOE OSTI2023

Decahedra and Icosahedra Everywhere: The Anomalous Crystallization of Au and Other Metals at the Nanoscale

Throughout history, objects with fivefold symmetry have been a popular topic of interest for artists, philosophers, and scientists. This may be because fivefold symmetry is very conspicuous in nature. In the case of crystals, fivefold rotational symmetry is mathematically forbidden, and macroscopic crystals exhibiting fivefold symmetry have never been shown to exist. Nevertheless, in the nanoworld, nanoparticles are often found with decahedral and icosahedral shapes that have an overall pseudo–fivefold symmetry. These structures are observed at many length scales, from 1 nm up to 1 µm. In this review, several reasons for the stability of fivefold nanoparticles are discussed. Finally, these include the formation of twin boundaries, surface reconstruction faceting, and other factors.

36 MATERIALS SCIENCE↗
NASA NTRS1985

Fabricating Underwater Electroacoustic Transducers

Use of retainer ring instead of adhesives simplifies assembly and disassembly. Underwater electroacoustical transducer assembly uses precast silicone rubber compressed between ceramic crystal and metal container. Removable retainer ring holds assembly in place. Method provides proper stress loading, speed and ease of assembly, and way of removing transducer without damaging crystal.

Ferguson, R. L.↗
DOE OSTI2024

Controlling the Crystal Packing and Morphology of Metal–Organic Macrocycles through Side-Chain Modification

Supramolecular nanotubes constructed from the self-assembly of conjugated metal–organic macrocycles provide a unique collection of materials properties, including solution processability, porosity, and electrical conductivity. Here we show how small modifications to the macrocycle periphery subtly alter the noncovalent interactions governing self-assembly, leading to large changes in crystal packing, crystal morphology, and materials properties. Specifically, we synthesized five distinct copper-based macrocycles that differ in either the steric bulk, polarity, or hydrogen-bonding ability of the peripheral side chains. We show that the electrical conductivity of these macrocycles is highly sensitive to steric bulk, decreasing by 3 orders of magnitude upon introduction of peripheral neopentyl substituents. Here, we further show that the introduction of hydrogen-bonding groups leads to more ordered packing and a dramatic increase in crystallite size. Together, these results establish side-chain engineering as a rich toolkit for controlling the packing structure, particle morphology, and bulk properties of conjugated metal–organic macrocycles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Facet-Dependent Hydrogen Evolution Reaction on M 2 P (M = Ni, Co, Fe) Single Crystals

Transition-metal phosphides (MPs) are promising earth-abundant catalysts for hydrogen evolution reactions (HERs) due to their remarkable activity and stability. To further improve their properties, facet control is a key strategy. The growth of shape-selected nanoparticles may substantially enhance electrocatalytic activity, but this approach requires fundamental studies of facet-specific catalytic properties. There are only a few reports on the facet effects of MPs, which leads to a limited understanding of the activity of each facet and hampers catalyst design. Here, in this study, we grew large hexagonal-prism-shaped single crystals of three representative M 2 P (M = Ni, Co, and Fe) catalysts using metal flux routes. Two facets of M 2 P single crystals were tested to study facet-dependent HER activities, and it was consistently demonstrated that for all M 2 P crystals, a tip facet [(0001) for Ni 2 P/Fe 2 P and (010) for Co 2 P] had a higher activity than the side facet [(101̅0) for Ni 2 P/Fe 2 P and (100) for Co 2 P]. HER activity between the same facet elucidated the activity ordered between different transition metals as Fe 2 P > Co 2 P > Ni 2 P under low-potential regions. At high applied potentials, this trend is reversed due to the differences in Tafel slopes, with Ni 2 P becoming the most active catalyst, such that the activity of the (0001) facet of Ni 2 P approaches that of Pt. The calculated surface density of states (DOS) of each facet and its local curvature were found to be a useful descriptor for the activity trends among different transition metals of the same facets.

Co2P↗