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At least 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
NASA NTRS1978

Delayed fracture of silicon: Silicon sheet growth development for the large area silicon sheet task of the low cost silicon solar array project

Bar specimens were cut from ingots of single crystal silicon, and acid etched prior to testing. Artificial surface flaws were introduced in specimens by indentation with a Knoop hardness tester. The specimens were loaded in four-point bending to 95 percent of the nominal fracture stress, while keeping the surface area, containing the flaw, wet with test liquids. No evidence of delayed fracture, and, therefore stress corrosion, of single crystal silicon was observed for liquid environments including water, acetone, and aqueous solutions of NaCl, NH4OH, and HNO3, when tested with a flaw parallel to a (110) surface. The fracture toughness was calculated.

Chen, T. J.↗
NASA NTRS1984

The undercooling of liquids

The formation by melt quenching of such metastable structures as glassy or microcrystalline solids and highly supersaturated solutions is made possible by the extreme resistance of most melts to homophase crystal nucleation at deep undercooling. This nucleation resistance contrasts sharply with the very low kinetic resistance to the movement of crystal-melt interfaces, once formed, in metals and other fluid systems at even minute undercooling. The methods of nucleation study which have proven especially effective in bypassing nucleation by heterophase impurities thereby exposing the high resistance of melts to homophase nucleation may be summarized as follows: observation of the crystallization behavior of dispersed small droplets; drop tube experiments in which liquid drops solidify, under containerless conditions, during their fall in the tube; and observation of the crystallization of bulk specimens immersed in fluxes chosen to dissolve or otherwise deactivate (e.g., by wetting) heterophase nucleants. This method has proven to be remarkably effective in deactivating such nucleants in certain pure metals.

Turnbull, D.↗
DOE OSTI2020

Reversible Electrochemical Phase Change in Monolayer to Bulk-like MoTe 2 by Ionic Liquid Gating

Transition-metal dichalcogenides (TMDs) exist in various crystal structures with semiconducting, semi-metallic, and metallic properties. The dynamic control of these phases is of immediate interest for next-generation electronics such as phase change memories. Of the binary Mo and W-based TMDs, MoTe 2 is attractive for electronic applications because it has the lowest energy difference (40 meV) between the semiconducting (2H) and semi-metallic (1T') phases, allowing for MoTe 2 phase change by electrostatic doping. Here, we report phase change between the 2H and 1T' polymorphs of MoTe 2 in thicknesses ranging from the monolayer to bulk-like case (73 nm) using an ionic liquid electrolyte at room temperature and in air. We find consistent evidence of a partially reversible 2H-1T' transition using in situ Raman spectroscopy where the phase change occurs in the topmost layers of the MoTe 2 flake. We find a thickness-dependent transition voltage where higher voltages are necessary to drive the phase change for thicker flakes. We also show evidence of electrochemical activity during the gating process by observation of Te metal formation. This finding suggests the formation of Te vacancies which have been reported to lower the energy difference between the 2H and 1T' phases, potentially aiding the phase change process. Furthermore, our discovery that the phase change can be achieved on the surface layer of bulk-like materials reveals that this electrochemical mechanism does not require isolation of a single layer and the effect may be more broadly applicable than previously thought.

2d materials↗
NASA NTRS1982

An experimental study of the ice column habit transitions

The influence of supersaturation on column growth of ice crystals forming from atmospheric water vapor was investigated. A high density of crystals was generated on a glass fiber cooled by liquid N2 in a thermal diffusion chamber. Attention was focused on a neighbor-free hollow prism during a stepwise decrease in supersaturation while the crystal temperature was maintained constant. Another experiment involved epitaxial growth of ice crystals on CuS, where nonthickening crystals could only be grown below -7 C. A critical supersaturation was found to be necessary for growth of the basal plane. Beyound the critical value, surface kinetics do not control the growth rate, which is then dominated by the penetration of water molecules through the diffusion field surrounding the crystal.

Cho, N.↗
DOE OSTI2022

Catalytic resonance of ammonia synthesis by simulated dynamic ruthenium crystal strain

Ammonia affords dense storage for renewable energy as a fungible liquid fuel, provided it can be efficiently synthesized from hydrogen and nitrogen. In this work, the catalysis of ammonia synthesis was computationally explored beyond the Sabatier limit by dynamically straining a ruthenium crystal (±4%) at the resonant frequencies (10 2 to 10 5+ Hz) of N 2 surface dissociation and hydrogenation. Density functional theory calculations at different strain conditions indicated that the energies of NH x surface intermediates and transition states scale linearly, allowing the description of ammonia synthesis at a continuum of strain conditions. A microkinetic model including multiple sites and surface diffusion between step and Ru(0001) terrace sites of varying ratios for nanoparticles of differing size revealed that dynamic strain yields catalytic ammonia synthesis conversion and turnover frequency comparable to industrial reactors (400°C, 200 atm) but at lower temperature (320°C) and an order of magnitude lower pressure (20 atm).

10 SYNTHETIC FUELS↗
DOE OSTI2021

Bilayer Wigner crystals in a transition metal dichalcogenide heterostructure

One of the first theoretically predicted manifestations of strong interactions in many-electron systems was the Wigner crystal, in which electrons crystallize into a regular lattice. The crystal can melt via either thermal or quantum fluctuations. Quantum melting of the Wigner crystal is predicted to produce exotic intermediate phases and quantum magnetism because of the intricate interplay of Coulomb interactions and kinetic energy. However, studying two-dimensional Wigner crystals in the quantum regime has often required a strong magnetic field or a moiré superlattice potential, thus limiting access to the full phase diagram of the interacting electron liquid. Here we report the observation of bilayer Wigner crystals without magnetic fields or moiré potentials in an atomically thin transition metal dichalcogenide heterostructure, which consists of two MoSe 2 monolayers separated by hexagonal boron nitride. We observe optical signatures of robust correlated insulating states at symmetric (1:1) and asymmetric (3:1, 4:1 and 7:1) electron doping of the two MoSe 2 layers at cryogenic temperatures. Here, we attribute these features to bilayer Wigner crystals composed of two interlocked commensurate triangular electron lattices, stabilized by inter-layer interaction. The Wigner crystal phases are remarkably stable, and undergo quantum and thermal melting transitions at electron densities of up to 6 × 10 12 per square centimetre and at temperatures of up to about 40 kelvin. Our results demonstrate that an atomically thin heterostructure is a highly tunable platform for realizing many-body electronic states and probing their liquid–solid and magnetic quantum phase transitions.

36 MATERIALS SCIENCE↗
NASA NTRS1982

Direct observation of interface instability during crystal growth

The general aim of this investigation was to study interface stability and solute segregation phenomena during crystallization of a model system. Emphasis was to be placed on direct observational studies partly because this offered the possibility at a later stage of performing related experiments under substantially convection-free conditions in the space shuttle. The major achievements described in this report are: (1) the development of a new model system for fundamental studies of crystal growth from the melt and the measurement of a range of material parameters necessary for comparison of experiment with theory. (2) The introduction of a new method of measuring segregation coefficient using absorption of a laser beam by the liquid phase. (3) The comparison of segregation in crystals grown by gradient freezing and by pulling from the melt. (4) The introduction into the theory of solute segregation of an interface field term and comparison with experiment. (5) The introduction of the interface field term into the theories of constitutional supercooling and morphological stability and assessment of its importance.

Tiller, W. A.↗
NASA NTRS1991

Mineralogy and possible origin of an unusual Cr-rich inclusion in the Los Martinez (L6) chondrite

During a petrological study of the previously unclassified ordinary chondrite Los Martinez a highly unusual Cr-rich inclusion is found which is unique in both extraterrestrial and terrestrial mineralogy. Detailed SEM and TEM studies show that the inclusion consists of a highly zoned single crystal of plagioclase intergrown with chromium-rich spinel which indicates that it is the product of exsolution. The Cr-rich precursors of the inclusion probably have close affinities to the chronite-plagioclase chrondrules observed by Ramdohr (1967) in several ordinary chondrites. Based on the zoning in the inclusion it is suggested that it is the product of fractional crystallization from a melt, which may have formed as a liquid condensate, or by melting of solid condensates, in the solar nebula. Subsequent cooling of this melt condensate resulted in crystallization of the unidentified phase. After crystallization, the inclusion was probably incorporated into a parent body where it underwent metamorphism and was probably shocked to some degree. During this period of parent body metamorphism, exsolution and decomposition of the unknown precursor occurred to produce the observed intergrowth of plagioclase and chromite. Los Martinez is classified as an L6 ordinary chondrite breccia.

Brearley, Adrian J.↗
DOE OSTI2022

Orbital-selective Mott phase and non-Fermi liquid in FePS 3

The layered metal phosphorous trisulfide FePS 3 is reported to be a Mott insulator at ambient conditions and to undergo structural and insulator-metal phase transitions under pressure. However, the character of the resulting metallic states has not been understood clearly so far. Here, we theoretically study the phase transitions of FePS 3 using first-principles methods based on density functional theory and embedded dynamical mean field theory. We find that the Mott transition in FePS 3 can be orbital selective, with t 2g states undergoing a correlation-induced insulator-to-metal transition while e g states remain gapped. We show that this orbital-selective Mott phase, which occurs only when nonhydrostatic pressure is used, is a bad metal (or non-Fermi liquid) with large fluctuating moments due to Hund's coupling. Further application of pressure increases the crystal-field splitting and converts the system to a conventional Fermi liquid with low-spin configurations dominant. Finally, our results show that FePS 3 is an example of a system that realizes an orbital-selective Mott phase, allowing tuning between correlated and uncorrelated metallic properties in an accessible pressure range (≤ 18 GPa).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1986

Thermocapillary Convection in Liquid Droplets

The purpose of this video is to understand the effects of surface tension on fluid convection. The fluid system chosen is the liquid sessile droplet to show the importance in single crystal growth, the spray drying and cooling of metal, and the advance droplet radiators of the space stations radiators. A cross sectional representation of a hemispherical liquid droplet under ideal conditions is used to show internal fluid motion. A direct simulation of buoyancy-dominant convection and surface tension-dominant convection is graphically displayed. The clear differences between two mechanisms of fluid transport, thermocapillary convection, and bouncy dominant convection is illustrated.

Source record↗
DOE OSTI2023

Self-selecting vapor growth of transition-metal-halide single crystals

Transition-metal halides can host a large variety of novel phenomena, such as magnetism in the monolayer limit, quantum spin liquid and spiral spin liquid states, topological magnons, and chiral phonons. Sizable high-quality single crystals are necessary for investigations of magnetic and lattice excitations by, for example, inelastic neutron scattering. In this paper, we review a less well-known vapor transport technique, self-selecting vapor growth, and report our growths of transition-metal halides using this technique. We report the growth and characterizations of sizable single crystals of α–RuCl 3 , CrCl 3 , Ru 1–x Cr x Cl 3 , and CrBr 3 . In order to expedite the conversion of starting powder to single crystals, we modified the technique by cooling the growth ampoule through an appropriate temperature range. Our work shows that the self-selecting vapor transport technique can provide large single crystals of transition-metal halides, demonstrating its potential for providing high-quality single crystals of quantum materials.

2-dimensional systems↗
DOE OSTI2020

Origin of short- and medium-range order in supercooled liquid Ge 3 Sb 2 Te 6 from ab initio molecular dynamics simulations

Phase-change materials such as Ge–Sb–Te compounds have attracted much attention due to their potential value in electrical data storage. In contrast to the amorphous and crystalline phases, supercooled liquids are far from being deeply understood despite their inevitable role in both amorphization and crystallization processes. To this end, we have studied the dynamics properties and structural characteristics of liquid and supercooled liquid Ge 3 Sb 2 Te 6 during the fast cooling process. As the temperature decreases, chemical bonds become more homogeneous, but coordination numbers of Ge, Sb and Te atoms change very little. Meanwhile, the structural order of short-range configuration is obviously enhanced. Further studies suggest that Ge-centered, Sb-centered and Te-centered configurations change to the more ordered defective octahedrons mainly by adjusting the bond-angle relationship and bond length, rather than just by changing the coordination environment. It is the more ordered octahedrons that promote the formation of medium-range order. Our findings provide a deep insight into the origin of local structural order in supercooled liquid Ge 3 Sb 2 Te 6 , which is of great importance for the comprehensive understanding of amorphization and crystallization processes.

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

Isothermal solidification for high-entropy alloy synthesis

Kinetically trapping the high-temperature states through rapid cooling solidification is widely used for the synthesis of high-entropy alloys (HEAs), especially those with intrinsically immiscible elemental combinations. However, strategies need to be developed to overcome the fundamental limitations of rapid cooling solidification in controlling the crystallinity, structure and morphology of HEAs. Here, in this study, we introduce an isothermal solidification strategy for the synthesis of HEAs by rapidly altering the metal alloy composition through liquid–liquid interface reactions at low temperatures, for example, from 25 °C to 80 °C. We use gallium (Ga)-based metal as the sacrificial reagent and mixing medium. By directing the reactions to the interfaces between the Ga-based liquid metal and an aqueous metal ion solution, the foreign metal ions can be reduced at the interfaces and incorporated into the liquid metal quickly. HEAs with various crystallinity (single crystal, mesocrystal, polycrystal and amorphous), morphology (zero, two and three dimensions) and compositions can be achieved through the isothermal solidification. Ga can be completely consumed, resulting in Ga-free HEAs. If desired, Ga can be one of the metal elements in the final products. In situ liquid phase transmission electron microscopy (TEM) studies and theoretical analysis show the isothermal solidification mechanisms. Our direct observations show the enhanced mixing of liquid metal elements and the solidification process with fluctuating nucleation dynamics. The isothermal solidification marks a powerful strategy for HEA synthesis through an unexplored pathway of kinetically trapping the high-entropy states.

Zhang, Qiubo [Lawrence Berkeley National Laborator↗
NASA NTRS1980

The effect of growth rate, diameter and impurity concentration on structure in Czochralski silicon crystal growth

It is demonstrated that maximum growth rates of up to 80% of the theoretical limit can be attained in Czochralski-grown silicon crystals while maintaining single crystal structure. Attaining the other 20% increase is dependent on design changes in the grower, to reduce the temperature gradient in the liquid while increasing the gradient in the solid. The conclusions of Hopkins et al. (1977) on the effect of diameter on the breakdown of structure at fast growth rates are substantiated. Copper was utilized as the test impurity. At large diameters (greater than 7.5 cm), concentrations of greater than 1 ppm copper were attained in the solid (45,000 ppm in the liquid) without breakdown at maximum growth speeds. For smaller diameter crystals, the sensitivity of impurities is much more apparent. For solar cell applications, impurities will limit cell performance before they cause crystal breakdown for fast growth rates of large diameter crystals.

Digges, T. G., Jr.↗
NASA NTRS1993

Crystal growth of compound semiconductors in a low-gravity environment (InGaAs crystals) (M-22)

Compound semiconductor crystals, such as gallium arsenide and indium phosphide crystals, have many interesting properties that silicon crystals lack, and they are expected to be used as materials for optic and/or electro-optic integrated devices. Generally speaking, alloy semiconductors, which consist of more than three elements, demonstrate new functions. For example, values of important parameters, such as lattice constant and emission wavelength, can be chosen independently. However, as it is easy for macroscopic and/or microscopic fluctuations of composition to occur in alloy semiconductor crystals, it is difficult to obtain crystals having homogeneous properties. Macroscopic change of composition in a crystal is caused by the segregation phenomenon. This phenomenon is due to a continuous change in the concentration of constituent elements at the solid-liquid interfacing during solidification. On Earth, attempts were made to obtain a crystal with homogeneous composition by maintaining a constant melt composition near the solid-liquid interface, through suppression of the convection flow of the melt by applying a magnetic field. However, the attempt was not completely successful. Convective flow does not occur in microgravity because the gravity in space is from four to six orders of magnitude less than that on Earth. In such a case, mass transfer in the melt is dominated by the diffusion phenomenon. So, if crystal growth is carried out at a rate that is higher than the rate of mass transfer due to this phenomenon, it is expected that crystals having a homogeneous composition will be obtained. In addition, it is also possible that microscopic composition fluctuations (striation) may disappear because microscopic fluctuations diminish in the absence of convection. We are going to grow a bulk-indium gallium arsenide (InGaAs) crystal using the gradient heating furnace (GHF) in the first material processing test (FMPT). The structure of the sample is shown where InGaAs polycrystals in a crucible are doubly sealed in two quartz tubes for safety. The GHF consists of two zones, namely, high temperature and low temperature zones, which results in a large temperature gradient at the interface. Crystal growth is performed by moving the furnace (i.e. the temperature profile) from the left to right at a definite rate. Thus, we will grow crystals both on Earth and in space under the same conditions. As previously described, it is possible to obtain good quality crystals which are homogeneous in composition both macroscopically and microscopically due to the lack of convection in space. We are planning to study the effects of convection on crystal growth from a melt by comparing and characterizing the properties of crystals grown on Earth with those grown in space.

Tatsumi, Masami↗
NASA NTRS1987

Investigation of temperature and concentration oscillations in the directional solidification of Pb-Sn-Te

Directional solidification of the pseudobinary compound semiconductor material Pb sub 1-x Sn sub x Te by the Bridgman crystal growth process will be studied. Natural convection in the molten sample will be visualized with a novel electrochemical cell technique that employs the solid electrolyte material yttria-stabilized zirconia. Mass transfer by both diffusion and convection will be measured by detecting the motion of oxygen tracer in the liquid. Additional applications for electrochemical cells in semiconductor crystal growth are suggested. Unsteady convection in the melt will also be detected by the appearance of temperature oscillations. The purpose of this study is to experimentally characterize the overstable conditions for a Pb sub 1-x Sn sub x Te melt in the vertical Bridgman crystal growth technique and use a linear analysis to predict the onset of convection for this system.

Anderson, T. J.↗
NASA NTRS2002

Effect of Magnetic Fields on g-jitter Induced Convection and Solute Striation During Space Processing of Single Crystals

A 2-D finite element model is presented for the melt growth of single crystals in a microgravity environment with a superimposed DC magnetic field. The model is developed based on the deforming finite element methodology and is capable of predicting the phenomena of the steady and transient convective flows, heat transfer, solute distribution, and solid-liquid interface morphology associated with the melt growth of single crystals in microgravity with and without an applied magnetic field. Numerical simulations were carried out for a wide range of parameters including idealized microgravity conditions, the synthesized g-jitter and the real g-jitter data taken by on-board accelerometers during space flights. The results reveal that the time varying g-jitter disturbances, although small in magnitude, cause an appreciable convective flow in the liquid pool, which in turn produces detrimental effects during the space processing of single crystal growth. An applied magnetic field of appropriate strength, superimposed on microgravity, can be very effective in suppressing the deleterious effects resulting from the g-jitter disturbances.

deGroh, H. C.↗
DOE OSTI2021

Experimental Investigation of Mercury's Magma Ocean Viscosity: Implications for the Formation of Mercury's Cumulate Mantle, Its Subsequent Dynamic Evolution, and Crustal Petrogenesis

Mercury has a compositionally heterogeneous surface that was produced by different periods of igneous activity during Mercury’s history, perhaps suggesting heterogeneous mantle sources. Furthermore, understanding the structure of Mercury’s mantle formed during the planet’s magma ocean stage could help in developing a petrologic model for Mercury, and thus, its dynamic history in the context of crustal petrogenesis. We present results of falling sphere viscometry experiments on late stage Mercurian magma ocean analogue compositions. Owing to the presence of sulfur on the surface of Mercury, two compositions were tested, one with sulfur and one without. The liquids have viscosities of 0.6-3.9 (sulfur-bearing) and 0.6-10.9 Pa·s (sulfur-free), similar to an andesite at the tested experimental conditions (1.4-6.2 GPa, 1600-2000°C). We present new viscosity models that enable extrapolation beyond the experimental conditions and evaluate grain growth and the potential for crystal entrainment in a cooling, convecting magma ocean. We consider scenarios with and without a graphite flotation crust, which suggests two possible endmember outcomes for Mercury’s mantle structure. With a graphite flotation crust, crystallization of the mantle would be fractional with negatively buoyant minerals sinking to form a stratified cumulate pile according to the crystallization sequence. Without a flotation crust, crystals would largely remain entrained in the convecting liquid during solidification, producing a homogeneous mantle. In the context of these endmember models, the chemically heterogeneous surface could result from dynamical stirring or mixing of a mantle that was initially compositionally stratified, or from different extents of melting of a homogeneous mantle.

58 GEOSCIENCES↗