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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Morphology Control of Growth by Hydride Vapor Phase Epitaxy on Faceted GaAs Substrates Produced by Controlled Spalling for Low Cost III-V Devices

In this work, we apply the morphology control of hydride vapor phase epitaxial (HVPE) growth to planarize faceted, non-planar substrates. Controlled spalling is a promising high-throughput substrate reuse technology that could reduce substrate costs for III-V devices; however, the spalling fracture for (100)-oriented GaAs substrates produces a regularly corrugated surface of facets that are 5-20 um in height. We discuss how to planarize these surfaces using only a few minutes of HVPE growth and how to minimize the impact on throughput when integrating faceted wafers into a potential manufacturing process at scale.

epitaxy↗
NASA NTRS1988

Morphological evolution of growing crystals - A Monte Carlo simulation

The combined effects of nutrient diffusion and surface kinetics on the crystal morphology were investigated using a Monte Carlo model to simulate the evolving morphology of a crystal growing from a two-component gaseous nutrient phase. The model combines nutrient diffusion, based on a modified diffusion-limited aggregation process, with anisotropic surface-attachment kinetics and surface diffusion. A variety of conditions, ranging from kinetic-controlled to diffusion-controlled growth, were examined. Successive transitions from compact faceted (dominant surface kinetics) to open dendritic morphologies (dominant volume diffusion) were obtained.

Xiao, Rong-Fu↗
DOE OSTI2022

Shape Dependence on the Electrochemistry of Uncoated Magnetite Motifs

Using a variety of synthetic protocols including hydrothermal and microwave-assisted methods, the morphology of as-prepared magnetite has been reliably altered as a means of probing the effect of facet variations upon the resulting electrochemical processes measured. In particular, motifs of magnetite, measuring ~100 to 200 nm in diameter, were variously prepared in the form of cubes, spheres, octahedra, and plates, thereby affording the opportunity to preferentially expose either (111), (220), or (100) planes, depending on the geometry in question. Here, we deliberately prepared these samples, characterized using XRD and SEM, in the absence of a carbonaceous surfactant to enhance their intrinsic electrochemical function. Herein, we present a direct electrochemical comparison of specifically modified shape morphologies possessing 3 different facets and their impact as electrode materials for Li-ion batteries. Our overall data suggest that the shapes exhibiting the largest deliverable capacities at various current densities incorporated the highest surface energy facets, such as exposed (220) planes in this study. The faceted nature of different morphologies highlighted a trend in electrochemistry of (220) > (111) > (100); moreover, the degree of aggregation and polydispersity in prepared samples were found to play key roles as well.

25 ENERGY STORAGE↗
NASA NTRS1978

Uniform magnesium oxide adsorbents

Kr adsorption on MgO is used to characterize the surface uniformity of MgO smoke and thermally decomposed Mg(OH)2. It is found that initially heterogeneous samples develop progressively sharper stepwise isotherms with increasingly-high-temperature heat treatment, apparently due to the removal of imperfections and high-energy facets, leaving surfaces of highly uniform (100) planes.

Dash, J. G.↗
DOE OSTI2022

Fragmentation of faceted crystalline wires

The reduction of surface energy is a well-known driving force for the fragmentation of nanowires. Fragmentation can limit the service life of those small low-dimensional building blocks or can be controlled to induce beneficial shape changes. For isotropic surface energy, fragmentation is analogous to the classic Rayleigh-Plateau instability of liquid jets. However, commonly synthesized crystalline nanowires have strongly anisotropic surface energies and exhibit facets coinciding with cusps in the Wulff plot. Depending on growth orientation, different fragmentation behaviors have been seen in nanowires. Using phase-field simulations, we show that fragmentation of faceted nanowires with cubic crystal symmetry may occur by a finite-amplitude nonlinear instability, as opposed to a Rayleigh-Plateau-like linear instability, depending on nanowire growth orientation. Here, we carry out a weakly nonlinear analysis based on sharp interface theory to characterize the faceted nanowire shape corresponding to a surface-energy saddle point. The analysis predicts that the minimum amplitude of a periodic shape perturbation to trigger fragmentation increases with cusp strength but decreases inversely proportionally to the perturbation wavelength for long wavelengths, in good quantitative agreement with phase-field predictions. The results provide the theoretical foundation to predict nanowire stability as a function of length and surface energy in diverse applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Facet-Dependent Cold Welding of Au Nanorods Revealed by Liquid Cell Transmission Electron Microscopy

Cold welding of metals at the nanoscale has been demonstrated to play a significant role in bottom-up manufacturing and self-healing processes of nanostructures and nanodevices. However, the welding mechanism at the nanoscale is not well understood. In this study, a comprehensive demonstration of the cold welding process of gold nanorods with different modes is presented through in situ liquid cell transmission electron microscopy. The experimental results and molecular dynamics simulations reveal that the nanorods are welded through the facet-dependent atomic surface diffusion and rearrangement along {100} facets. The density functional theory calculations indicate that the preferred coalescence of two {100} surfaces is thermodynamically favorable. Unlike the prevalent “oriented attachment” in the nanoparticle coalescence, the misalignment of nanorod orientations and local stresses can induce grain boundaries and stacking faults in the welded interface.

42 ENGINEERING↗
NASA NTRS1993

The roughness of the Martian surface: A scale dependent model

In the coming decade, several lander missions to Mars are planned (e.g., MESUR Pathfinder, MESUR). One of the dangers facing planners of these missions is the rough topography observed at both Viking Lander sites. Both landing sites are ubiquitously covered with meter-scale boulders. Objects of this size pose obvious threats to soft landers, especially at Mars where the distance from Earth causes prohibitive time lags between the transmission of commands and feedback from the spacecraft. An obvious solution is to scout for a 'smooth' site prior to the landing. However, the best resolutions realizable on current and future missions (i.e., Mars Observer) are on the order of several meters. Even at this scale, boulders of 1-2 meters in size are unresolvable. Additionally, the amount of time and spacecraft resources required to search even a small area of the planet are unrealistic given other mission objectives. An alternative is to determine the 'roughness' of the surface at a subpixel scale using bidirectional reflectance observations. Much larger areas of the planet can be searched, and much of the search can easily be automated. The morphology of the martian plains observed by the Viking Landers is physically simple. The surface is covered with a layer (approximately flat lying) of aeolian sediment from which numerous outcrops of bedrock and boulders protrude. This morphology, while simple, will be difficult to characterize from orbit using traditional bidirectional reflectance models for two reasons. First, modeling the surface as facets with Gaussian or exponential slope distributions is not realistic given the morphology described above. Second, the roughness parameter is an 'average' of the roughness at scales ranging from the wavelength of light being scattered to the pixel size of the observation. Thus, there is no definite scale of roughness that can be extracted from the Hapke roughness parameter. Using the concepts of geometric and boolean models developed by several workers, we have developed a model for the bidirectional reflectance of a surface morphology comparable to that observed at the Viking Lander sites.

Shepard, M. K.↗
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↗
DOE OSTI2026

A Path to III-V Photovoltaic Cost Reduction Combining GaAs (211) Spalling with Halide Vapor Phase Epitaxy

This presentation is an overview of the following, Spalling on 211 oriented wafers produces flat surface without faceting: 1) Demonstrated spall on entire 2" wafer; 2) GaAs and GaInP grown on 211 wafers by HVPE; and 3) Promising cell with VOC=1.02 V and IQE-1. Next steps: 1) Grow cell on spalled wafer and 2) Growth studies to improve material and cell on 211 substrates.

14 SOLAR ENERGY↗
NASA NTRS1976

Faceted solar energy collectors

Two concepts enhance efficiency and flexibility of solar collectors: faceting collector surface and adding coloring agent to working fluid. Collector can be placed on existing structures and oriented to take advantage of position of sun. By adding coloring agent to working fluid, total absorbance can be increased and altered if required.

Segna, D. R.↗
NASA NTRS2011

Crack Growth Behavior in the Threshold Region for High Cyclic Loading

The present studies show that fanning in the threshold regime is likely caused by other factors than a plastic wake developed during load shedding. The cause of fanning at low R-values is a result of localized roughness, mainly formation of a faceted crack surface morphology , plus crack bifurcations which alters the crack closure at low R-values. The crack growth behavior in the threshold regime involves both crack closure theory and the dislocation theory of metals. Research will continue in studying numerous other metal alloys and performing more extensive analysis, such as the variation in dislocation properties (e.g., stacking fault energy) and its effects in different materials.

Forman, R.↗
DOE OSTI2021

Method to synthesize nanoparticle supercrystals

Highly ordered arrays of 3D faceted nanoparticle supercrystals are formed by self-assembly with controlled nanoparticle packing and unique facet dependent optical property by using a binary solvent diffusion method. The binary diffusion results in supercrystals whose size and quality are determined by initial nanoparticle concentration and diffusion speed. The supercrystal solids display unique facet-dependent surface plasmonic and surface-enhanced Raman characteristics. The supercrystals have potential applications in areas such as optics, electronics, and sensor platforms.

Fan, Hongyou↗
DOE OSTI2021

High temperature isotropic and anisotropic etching of silicon carbide using forming gas

Plasma-etched micropillars in 4H-SiC were etched in forming gas (4% H2, 96% N2) at 1500, 1550, and 1600 °C at 2.4 and 9.4 standard liters per min (slm). At 2.4 slm, oxygen from the aluminum oxide components of the tube furnace oxidized the SiC surface, and the pillars etched isotropically. Additionally, at 9.4 slm, the pillars etched crystallographically at 1500 and 1550 °C, and sharp 4H-SiC needless with tips as narrow as 15 nm were produced. The lateral etch rates of both 4H- and 6H-SiC were measured with the a-plane etching faster than the m-plane at 1500 and 1550 °C. At 1600 °C, the m-plane and a-plane etch at comparable rates. Due to the difference in etch rates between the m-plane and a-plane, convex surfaces tend to produce facets parallel to the a-plane, while concave surfaces produce facets parallel to the m-plane.

42 ENGINEERING↗
DOE OSTI2021

Binding mechanism and binding free energy of amino acids and citrate to hydroxyapatite surfaces as a function of crystallographic facet, pH, and electrolytes

Hydroxyapatite (HAP) is the major mineral phase in bone and teeth. The interaction of individual amino acids and citrate ions with different crystallographic HAP surfaces has remained uncertain for decades, creating a knowledge gap to rationally design interactions with peptides, proteins, and drugs. In this contribution, we quantify the binding mechanisms and binding free energies of the 20 end-capped natural amino acids and citrate ions on the basal (001) and prismatic (010)/(020) planes of hydroxyapatite at pH values of 7 and 5 for the first time at the molecular scale. We utilized over 1500 steered molecular dynamics simulations with highly accurate potentials that reproduce surface and hydration energies of (hkl) hydroxyapatite surfaces at different pH values. Charged residues demonstrate a much higher affinity to HAP than charge-neutral species due to the formation of superficial ion pairs and ease of penetration into layers of water molecules on the mineral surface. Binding free energies range from 0 to -60 kJ/mol and were determined with ~10% uncertainty. The highest affinity was found for citrate, followed by Asp(-) and Glu(-), and followed after a gap by Arg(+), Lys(+), as well as by His(+) at pH 5. The (hkl)-specific area density of calcium ions, the protonation state of phosphate ions, and subsurface directional order of the ions in HAP lead to surface-specific binding patterns. Amino acids without ionic side groups exhibit weak binding, between -3 and 0 kJ/mol, due to difficulties to penetrate the first layer of water molecules on the apatite surfaces. We explain recognition processes that remained elusive in experiments, in prior simulations, discuss agreement with available data, and reconcile conflicting interpretations. In conclusion, the findings can serve as useful input for the design of peptides, proteins, and drug molecules for the modification of bone and teeth-related materials, as well as control of apatite mineralization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Growth morphology with anisotropic surface kinetics

The morphological evolution of crystals growing from an incongruent vapor phase is studied using a Monte Carlo model, and the full range of growth morphologies is recovered. The diffusion in the bulk nutrient and the anisotropy in the interface kinetics are morphologically destabilizing and stabilizing, respectively. For a given set of simulation parameters and lattice symmetries there is a critical size, which scales linearly with the mean free path in the vapor, beyond which a crystal cannot retain its stable, macroscopically faceted growth shape. Surface diffusion stabilizes faceted growth on the shorter scale of the mean surface diffusion length. In simulations with a uniform drift superimposed on the random walk nutrient transport, crystal faces oriented toward the drift show enhanced morphological stability compared to the purely diffusive situation. Rotational drifts with periodic reversal of direction are morphologically stabilizing for all crystal facets.

Xiao, Rong-Fu↗
NASA NTRS1983

Reduction of rms-error in shallow faceted large space antennas

This paper examines the potential for reducing root-mean-square surface error in shallow faceted reflectors by replacing flat facets with membrane facets. Exact solutions are obtained for the small lateral deflections of equilateral triangular and rectangular membranes subject to isotropic tension and parabolic edge deflections. These solutions are used to minimize the rms-error between a facet of a shallow paraboloidal surface and its approximating membrane facet. The resulting optimum placements and edge curvatures yield membrane facets which have significantly lower rms-errors than the corresponding best-fit flat facets. The rms-error reductions are about 55 percent for equilateral triangles and 25 percent to 93 percent for rectangles, depending on aspect ratio. The results suggest that the use of membrane facets conforming to curved structural members could yield reflectors with lower rms-error, or comparable error with larger facets and, hence, fewer structural members.

Fichter, W. B.↗