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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 1,585 records · Page 88
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Characterization of Optical Lenses to be Considered for the Imaging of Crystal Dendrite Growth

Dynamic fracture is a phenomenon that is extremely sensitive to small perturbations in system parameters. This phenomenon is, in some ways, similar to that of dendritic crystal growth, although it is governed by different physical principles. Crystal dendrite growth patterns are affected by parameters such as temperature, pressure, and gravity. By studying the behavior of crystal dendrites in a controlled, microgravity environment, a greater understanding of dynamic fracture could be revealed. A sealed cubical container contains four stingers, which facilitate the growth of crystal dendrites. The container has five windows and is emersed in a liquid, for thermal isolation. The tip of a dendrite can advance in any direction, therefore three-dimensional images of the process are desired. Furthermore, because of the rapid growth rate, a fast image frame rate is required for accurate tracking of dendrite tip velocity. In addition, optical parameters such as field of view, depth of focus, and resolution are examined, as well as the working distance between a lens and the target of observation.

Wing, Frank M.↗
NASA NTRS2002

Solutocapillary Convection in the Float-Zone Process with a Strong Magnetic Field

This paper treats the axisymmetric flow and mass transport in a cylindrical liquid bridge between the melting end of a feed rod and the solidifying end of an alloyed semiconductor crystal. There is a strong, uniform, steady, axial magnetic field. The surface tension depends on the temperature and the concentration of the species, while variations of the concentration occur because one species is rejected into the liquid during solidification. The thermocapillary and solutocapillary convections tend to cancel- over part of the liquid bridge. For certain parameter ranges, there are two different stable steady solutions: one where the concentration gradient along the free surface leads to dominance by the solutocapillary convection and one where the mass transport due to the thermocapillary convection makes the concentration gradient along the free surface small, so that the thermocapillary convection is dominant.

Walker, J. S.↗
NASA NTRS2004

A New Commercializable Route for the Preparation of Single-Source Precursors for Bulk, Thin-Film, and Nanocrystallite I-III-IV Semiconductors

We report a new simplified synthetic procedure for commercial manufacture of ternary single source precursors (SSP). This new synthetic process has been successfully implemented to fabricate known SSPs on bulk scale and the first liquid SSPs to the semiconductors CuInSe2 and AgIn(x)S(y). Single crystal X-ray determination reveals the first unsolvated ternary AgInS SSP. SSPs prepared via this new route have successfully been used in a spray assisted chemical vapor deposition (CVD) process to deposit polycrystalline thin films, and for preparing ternary nanocrystallites.

Banger, Kulbinder K.↗
NASA NTRS1977

Inorganic chemistry: Direct syntheses from pure liquid SO3 and from trivalent and pentavalent nitrogen derivatives

From pure liquid SO3 direct synthesis reactions were carried out with N2O5, NO2Cl, NOCl which yielded N2O54SO3, 3SO3, 2SO3-NO2Cl2SO3-NOCl2SO3 and NOCl2SO3, the latter being obtained for the first time in the pure state. In all cases the crystallized product was obtained by separating the constituents of the mixture and then going through a single viscous liquid phase.

Vandorpe, B.↗
NASA NTRS1989

Cirrus crystal nucleation by homogeneous freezing of solution droplets

A numerical model consisting of a system of differential equations is used to study cirrus crystal nucleation in a rising parcel containing a distribution of cloud condensation nuclei. The evolution of the particle population and the thermodynamic variables in the parcel are examined. The results suggest that, if homogeneous freezing is not considered, liquid water should be detected below -40 C. If homogeneous freezing is considered, the rapid growth of ice crystals and vapor depletion prevent water saturation from being reached. It is shown that the likelihood of a droplet being frozen is increased by lower temperatures, larger droplet diameter, or lower solution density.

Heymsfield, Andrew J.↗
DOE OSTI2023

First-principles derivation of magnetic interactions in the triangular quantum spin liquid candidates KYb C h 2 ( C h = S , Se , Te ) and A YbSe 2 ( A = Na , Rb )

The AYb Ch 2 (A=alkali metal, Ch=chalcogen) delafossites are a family of crystals which have a triangular lattice of effective S=1/2 moments on their Yb atoms. They hold great promise for the realization of the triangular quantum spin liquid state because of their defect-minimized growth and the ability to interchange chemical constituencies among the family. Here we use ab initio computations to evaluate the exchange couplings of four realized (and one theoretical) rhombohedral delafossite structures and examine the influence of chemical substitution on promoting the development of a quantum spin liquid state. We find good agreement with experiment regarding the antiferromagnetic nearest-neighbor exchange J 1 , but our calculations underestimate J 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Designing Glass and Crystalline Phases of Metal–Bis(acetamide) Networks to Promote High Optical Contrast

Owing to their high tunability and predictable structures, metal–organic materials offer a powerful platform to study glass formation and crystallization processes and to design glasses with unique properties. In this work, we report a novel series of glass-forming metal–ethylenebis(acetamide) networks that undergo reversible glass and crystallization transitions below 200 °C. The glass-transition temperatures, crystallization kinetics, and glass stability of these materials are readily tunable, either by synthetic modification or by liquid-phase blending, to form binary glasses. Pair distribution function (PDF) analysis reveals extended structural correlations in both single and binary metal–bis(acetamide) glasses and highlights the important role of metal–metal correlations during structural evolution across glass–crystal transitions. Notably, the glass and crystalline phases of a Co–ethylenebis(acetamide) binary network feature a large reflectivity contrast ratio of 4.8 that results from changes in the local coordination environment around Co centers. These results provide new insights into glass–crystal transitions in metal–organic materials and have exciting implications for optical switching, rewritable data storage, and functional glass ceramics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

Thermal and convection analyses of the dendrite remelting rocket experiment; Experiment 74-21 in the space processing rocket program

The Dendrite Remelting Rocket Experiment was performed aboard a Black Brant VC Sounding Rocket during a period which gravity levels of approximately 0.00001 g prevailed. The experiment consisted of cooling an aqueous ammonium chloride solution in a manner such that crystallization of ammonium chloride crystals proceeded throughout a three minute period of zero-g. The crystallization process during flight was recorded on 35 mm panatomic-x film. A number of ground crystallizations were similarly recorded for comparison purposes. The convective and thermal conditions in aqueous and metallic liquid systems were assessed under conditions of the flight experiment to help establish the relevance of the rocket experiment to metals casting phenomena. The results indicate that aqueous or metallic convective velocities in the Dendrite Remelting Rocket Experiment cell are of insignificant magnitudes at the 0.0001 to 0.00001 g levels of the experiment. The crystallization phenomena observed in the Rocket Experiment, therefore, may be indicative of how metals will solidify in low-g.

Grodzka, P. G.↗
NASA NTRS1979

The origin of KREEP

KREEP is a lunar material having very high concentrations of incompatible elements; its name is an acronym for the incompatibles K, rare-earth elements (REE), and P. Although a few pristine (endogenously igneous) KREEPy samples were returned from the Apollo 15 and 17 sites, most KREEPy samples are polymict breccias. Most models of KREEP petrogenesis have been based on partial melting of a variety of sources. Such models fail to explain the veritable absence of variations in incompatible element patterns over the sampled portion of the moon. We have defined a KREEP component based on the average composition of Apollo 14 breccias having extremely high concentrations of incompatible elements. Normalization of accurate incompatible data for KREEPy samples from the Apollo 12, 14, 15, 16, and 17 sites to this component virtually always shows no resolvable fractionation (e.g., <10% variation in the La/Lu ratio), whereas partial melting models typically produce larger fractionations (±20–25% in La/Lu) from a factor of 2 difference in degree of partial melting. Required is a single major source that could provide KREEP to widely separated locations on the nearside of the moon. The anorthositic crust of the moon is commonly attributed to the flotation of plagioclase on a deep, moon-wide magma ocean. Fractional crystallization of this magma ocean would have produced large enrichments of incompatibles in a residual liquid. No other plausible major source of incompatibles has been proposed. We borrow the German prefix ur—meaning primeval and designate this residual liquid ‘urKREEP.’ We propose that all KREEPy rocks originated by dilution of urKREEP with crustal or mantle materials during assimilation, or zone-refining (pristine samples), or impact-induced brecciation (breccias and melt rocks). The formation of urKREEP cannot be dated precisely. Correction of breccia Rb-Sr model ages for Rb loss or gain during the early intense bombardments yields ages that cluster in the range 4.4–4.5 Gy. This implies that crystallization of the magma ocean was essentially complete at this time and is in general agreement with U-Pb evidence indicating crustal formation at 4.4 Gy. Assuming that the moon had the composition of an H-group chondrite depleted in Fe-Ni and FeS and that half the incompatibles fractionated into materials other than urKREEP, the thickness of a moon-wide urKREEP layer was <2 km. Thorium concentrations determined by gamma ray spectroscopy indicate that about 4% of the incompatibles in an H chondritic moon are now in the outermost kilometer.

Paul H. Warren↗
DOE OSTI2020

Characterization of high-purity germanium detectors with amorphous germanium contacts in cryogenic liquids

For the first time, planar high-purity germanium detectors with thin amorphous germanium contacts were successfully operated directly in liquid nitrogen and liquid argon in a cryostat at the Max-Planck-Institut für Physics in Munich. The detectors were fabricated at the Lawrence Berkeley National Laboratory and the University of South Dakota, using crystals grown at the University of South Dakota. They survived long-distance transportation and multiple thermal cycles in both cryogenic liquids and showed reasonable leakage currents and spectroscopic performance. Also discussed are the pros and cons of using thin amorphous semiconductor materials as an alternative contact technology in large-scale germanium experiments searching for physics beyond the Standard Model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

A high temperature cell for investigating interfacial structure on the molecular scale in molten salt/alloy systems

In this work, we describe the design and development of an in situ neutron reflectometry cell for high temperature investigations of structural changes occurring at the interface between inorganic salts, in their molten state up to 800 °C, and corrosion resistant alloys or other surfaces. In the cell, a molten salt is confined by an annular ring of single crystal sapphire constrained between the sample substrate and a sapphire plate using two gold O-rings, enclosing a liquid salt volume of 20 ml, along with a dynamic cell volume to accommodate expansion of the liquid with heating. Further, as a test case for the cell, we report on an in situ neutron reflectometry measurement of the interface between a eutectic salt mixture of MgCl 2 –KCl (32:68 molar ratio) and a single crystal sapphire substrate at 450 °C, resulting in the formation of a 60 Å layer having a scattering length density of 1.72 × 10 –6 Å –2 . While the origin of this layer is uncertain, it is likely to have resulted from the salt reacting with an existing impurity layer on the sapphire substrate.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2003

Reduction of Defects in Germanium-Silicon

Crystals grown without being in contact with a container have superior quality to otherwise similar crystals grown in direct contact with a container, especially with respect to impurity incorporation, formation of dislocations, and residual stress in the crystals. In addition to float-zone processing, detached Bridgman growth, although not a completely crucible-free method, is a promising tool to improve crystal quality. It does not suffer from the size limitations of float zoning and the impact of thermocapillary convection on heat and mass transport is expected to be negligible. Detached growth has been observed frequently during g experiments. Considerable improvements in crystalline quality have been reported for these cases. However, neither a thorough understanding of the process nor a quantitative assessment of the quality of these improvements exists. This project will determine the means to reproducibly grow GeSi alloys in a detached mode and seeks to compare processing-induced defects in Bridgman, detached-Bridgman, and floating-zone growth configurations in GeSi crystals (Si less than or equal to 10 at%) up to 20mm in diameter. Specific objectives include: measurement of the relevant material parameters such as contact angle, growth angle, surface tension, and wetting behavior of the GeSi-melt on potential crucible materials; determination of the mechanism of detached growth including the role of convection; quantitative determination of the differences in defects and impurities for crystals grown using normal Bridgman, detached Bridgman, and floating zone (FZ) methods; investigation of the influence of a defined flow imposed by a rotating magnetic field on the characteristics of detached growth; control of time-dependent Marangoni convection in the case of FZ growth by the use of a rotating magnetic field to examine the influence on the curvature of the solid-liquid interface and the heat and mass transport; and growth of benchmark quality GeSi-single crystals.

Szofran, Frank R.↗
NASA NTRS2001

Structural Fluctuations and Thermophysical Properties of Molten II-VI Compounds

Recently, in support of the microgravity experiment entitled "Crystal Growth of Selected 11-VI Semiconducting Alloys by Directional Solidification," the viscosity of HgZnTe pseudobinary melt was measured using an oscillating-cup viscometer at NASA/Marshall Space Flight Center (MSFC). An unexpected time drift of the measured viscosity, which shows a slow relaxation phenomena at temperatures near the liquidus point, was reproducibly observed. Two sets of data were obtained by cooling the Hg(0.84)Zn(0.16)Te melt from 850 C and stabilizing at temperatures of 790 C, which is just above the liquidus temperature, and stabilizing at temperature of 810 C. While it took one day to reach equilibration at 810 C, five days were required at 790 C A similar relaxation phenomenon was also observed in the measured density of the same liquid. Furthermore, in the density measurements of the HgCdTe melts, which is the pseudobinary system studied in another flight experiment entitled "Growth of Solid Solution Single Crystals," a negative thermal expansion was reported. The liquid density increases from the liquidus point to a maximum value at a temperature approximately 700 C above the liquidus, where normal thermal expansion progressively resumes.

Su, Ching-Hua↗
DOE OSTI2020

Thermodynamics–Structure–Dynamics Correlations and Nonuniversal Effects in the Elastically Collective Activated Hopping Theory of Glass-Forming Liquids

We employ the microscopic Elastically Collective Nonlinear Langevin Equation (ECNLE) theory of activated dynamics in combination with crystal-avoiding simulations to study four inter-related questions for metastable monodisperse hard sphere fluids. The first is how significantly improved integral equation theory structural input (Modified-Verlet (MV) closure) changes the dynamical predictions of ECNLE theory. The main consequence is a modest enhancement of the importance of the collective elastic barrier relative to its local cage contribution, which increases the alpha relaxation time and fragility relative to prior results based on the Percus–Yevick closure. Second, ECNLE-MV theory predictions for the alpha time and self-diffusion constant in the metastable regime are quantitatively compared to our new simulations. The small adjustment of a numerical prefactor that enters the collective elastic barrier leads to quantitative agreement over three decades. Third, using the more accurate MV structural input, ECNLE theory is shown to predict thermodynamics–structure–dynamics “correlations” based on various long and short wavelength scalar properties all related to static two-point collective density fluctuations. The logarithm of the alpha relaxation time scales as a power law with these scalar metrics with an exponent that is significantly lower in the less dense noncooperative activated regime compared to the very dense highly cooperative regime. However, the discovered correlation of activated relaxation with a thermodynamic property (dimensionless compressibility) is not causal in ECNLE theory, but rather reflects a strong connection between the local structural quantities that quantify kinetic constraints in the theory with the amplitude of long wavelength density fluctuations. Fourth, the consequences of chemically specific nonuniversalities associated with the onset condition and relative importance of collective elasticity are studied. In conclusion, the predicted thermodynamics–structure–dynamics correlations are found to be robust, albeit with nontrivial shifts of the onset condition.

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

Sandwiched Kagomé Lattices in a Coordination Polymer Based on Mixed-Valent Uranium

The metal–organic material U V O(U VI O 2 ) 2 (OH) 5 (Triaz) 2 (Triaz = 1,2,4-triazolate) has been isolated from the reaction of UO 2 (NO 3 ) 2 ·6H 2 O with 1,2,4-triazole in the ionic liquid 1-ethyl-3-methylimidazolium acetate ([C 2 mim][OAc]). The compound’s crystal structure is comprised of planar inorganic layers interconnected by organic linkers into a 3D framework. These layers represent a uranium-based coordination polymer with a Kagomé topology that to the best of our knowledge has never been recognized in f-element coordination chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1967

Surface-spike growth on NiBr sub 2 crystals - A VLS mode of crystal growth.

Droplets associated with surface-spike growth of crystals of NiBr 2 by sublimation have been analyzed and found to contain Cu, Co, Mn, and Fe in addition to Ni and Br. These elements exist in the bulk of the original charge material in concentrations that are several orders of magnitude lower than that in the droplets. During crystal growth by sublimation the impurities collect on the surface of growing crystals, until sufficient concentrations are reached to cause the nucleation of a metastable liquid phase droplet. Once the liquid phase droplets have been nucleated, they may then become attached to growth steps and produce accelerated growth from these sites. Such processes occur in NiBr 2 , during growth by sublimation, at approximately 500 °C below the melting point of NiBr 2 .

Edward N Sickafus↗
NASA NTRS1972

Shock melting and vaporization of metals.

The effect of initial porosity on shock induction of melting and vaporization is investigated for Ba, Sr, Li, Fe, Al, U, and Th. For the less compressible of these metals, it is found that for a given strong shock-generation system (explosive in contact, or flyer-plate impact) an optimum initial specific volume exists such that the total entropy production, and hence the amount of metal liquid or vapor, is a maximum. Initial volumes from 1.4 to 2.0 times crystal volumes, depending on the metal sample and shock-inducing system, will result in optimum post-shock entropies.

Ahrens, T. J.↗
NASA NTRS1982

Compensation mechanism in liquid encapsulated Czochralski GaAs Importance of melt stoichiometry

It is shown that the key to reproducible growth of undoped semi-insulating GaAs by the liquid encapsulated Czochralski (LEC) technique is the control over the melt stoichiometry. Twelve crystals were grown from stoichiometric and nonstoichiometric melts. The material was characterized by secondary ion mass spectrometry, localized vibrational mode far infrared spectroscopy, Hall-effect measurements, optical absorption, and photoluminescence. A quantitative model for the compensation mechanism in the semi-insulating material was developed based on these measurements. The free carrier concentration is controlled by the balance between EL2 deep donors and carbon acceptors; furthermore, the incorporation of EL2 is controlled by the melt stoichiometry, increasing as the As atom fraction in the melt increases. As a result, semi-insulating material can be grown only from melts above a critical As composition. The practical significance of these results is discussed in terms of achieving high yield and reproducibility in the crystal growth process.

Holmes, D. E.↗