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Results for “crystal zoning”

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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Confinement of thermocapillary floating zone flow by uniform rotation

Smith and Greenspan (1984) examined theoretically the idea of using a uniform rotation of the floating zone system to confine the thermocapillary flow in crystal growth experiments to the melt sidewall, leaving the interior of the melt passive. Here, that model is extended to a full zone with a more realistic temperature distribution imposed on the sidewall, and both linear and nonlinear thermocapillary flows are theoretically studied. Linearized, analytical solutions are found using singular perturbation theory and the various sidewall boundary layers described by Greenspan (1969) for rotating fluids. The analytical and linearized numerical results are compared, and the linear and nonlinear flows are discussed. The results demonstrate that the thermocapillary flow is strong and that rotation cannot confine the flow. Temperature advection by strongly nonlinear flow is significant even for the small Prandtl number of silicon.

Fowlis, W. W.↗
DOE OSTI2022

Constraining composition and temperature variations in the mantle transition zone

The mantle transition zone connects two major layers of Earth’s interior that may be compositionally distinct: the upper mantle and the lower mantle. Wadsleyite is a major mineral in the upper mantle transition zone. Here, we measure the single-crystal elastic properties of hydrous Fe-bearing wadsleyite at high pressure-temperature conditions by Brillouin spectroscopy. Our results are then used to model the global distribution of wadsleyite proportion, temperature, and water content in the upper mantle transition zone by integrating mineral physics data with global seismic observations. Our models show that the upper mantle transition zone near subducted slabs is relatively cold, enriched in wadsleyite, and slightly more hydrated compared to regions where plumes are expected. This study provides direct evidence for the thermochemical heterogeneities in the upper mantle transition zone which is important for understanding the material exchange processes between the upper and lower mantle.

58 GEOSCIENCES↗
DOE OSTI2024

Gallium oxide semiconductor-based large volume ultrafast radiation hard spectroscopic scintillators

We report on the development of the first-ever inorganic radiation-hard moisture-insensitive large volume spectroscopic semiconductor-based scintillator with less than 2 ns decay time and light yields as high as 8000 ph/MeV. Despite extensive research into scintillator materials, the quest for an ideal scintillator combining ultrafast decay times (akin to BaF 2 and Yb-doped scintillators such as Lu 2 O 3 :Yb), high light yields (exceeding 2000 photons per MeV), spectroscopic capabilities, and exceptional radiation hardness remain unfulfilled. In this study, we demonstrate and report for the first time the viability of large-volume (up to 20 mm thickness) gallium oxide (β-Ga 2 O 3 ) semiconductor-based scintillators for applications requiring these properties. These β-Ga 2 O 3 scintillators were grown using the fast turnaround (~2 days) crucible-free optical float zone (FZ) technique. The high light yield and ultrafast decay time of these high-purity n-type semiconductors with free carrier concentration of 6 × 10 17 cm –3 are attributed to native defects, specifically oxygen vacancies (V O ) and gallium–oxygen vacancy pairs (V Ga –V O ), generated during optimized FZ growth. The ultrafast decay, along with high light yield, enables excellent timing resolution and high count rate detection for applications like time-of-flight positron emission tomography, physics experiments, and nuclear safety. The radiation hardness of these devices has been documented in a separate publication.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Real-space formulation of the stress tensor for O (N) density functional theory: Application to high temperature calculations

We present an accurate and efficient real-space formulation of the Hellmann–Feynman stress tensor for O (N) Kohn–Sham density functional theory (DFT). While applicable at any temperature, the formulation is most efficient at high temperature where the Fermi–Dirac distribution becomes smoother and the density matrix becomes correspondingly more localized. We first rewrite the orbital-dependent stress tensor for real-space DFT in terms of the density matrix, thereby making it amenable to O (N) methods. We then describe its evaluation within the O (N) infinite-cell Clenshaw–Curtis Spectral Quadrature (SQ) method, a technique that is applicable to metallic and insulating systems, is highly parallelizable, becomes increasingly efficient with increasing temperature, and provides results corresponding to the infinite crystal without the need of Brillouin zone integration. We demonstrate systematic convergence of the resulting formulation with respect to SQ parameters to exact diagonalization results and show convergence with respect to mesh size to the established plane wave results. Here, we employ the new formulation to compute the viscosity of hydrogen at 10 6 K from Kohn–Sham quantum molecular dynamics, where we find agreement with previous more approximate orbital-free density functional methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Effect of nitrogen doping and pressure on the stability of $\mathrm{LuH_3}$

A report on the near-ambient superconductivity in a nitrogen-doped lutetium hydride has stimulated great interest in this material [Dasenbrock-Gammon et al. , Nature (London) 615, 244 (2023)]. While its superconductivity is still a subject of debate, the structure of the claimed cubic phase remains uncertain. In this work, we study the effect of nitrogen doping and pressure on the energetic and dynamic stability of cubic $\mathrm{LuH_3}$. Our findings indicate that both pressure and nitrogen doping can enhance the stability of the cubic $\mathrm{LuH_3}$ phase. Here, we propose a $\mathrm{Lu_8}$$\mathrm{H_{21}}$$\mathrm{Lu}$ structure that exhibits a stable phonon, reasonable thermodynamic stability at 1 GPa, and an x-ray diffraction pattern similar to the experimental data. However, we do not observe electron-phonon coupling in the zone-center phonon modes of these crystal structures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1967

Combustion of ammonium perchlorate.

Deflagration of ammonium perchlorate studied using cleaved sections of large single crystals grown from water solution, discussing burning rate and combustion zone

BURNING RATE↗
NASA NTRS1982

Numerical simulation of crystal fractionation in shergottite meteorites

Cumulus clinopyroxenes in the Shergotty and Zagami meteorites suggest crystal fractionation occurred, possibly by gravitative settling. Numerical models of this process in a nonconvecting environment argue that the small phenocrysts can segregate only under extreme conditions of cooling time or gravitational field strength. Since textures indicate that cooling time was not excessive, a large (planetary) g is required by these models, in agreement with other suggestions that the shergottite parent body may be Mars. Other calculations indicate that it is extremely difficult to produce the observed textures in a convecting environment, unless crystal setting occurred in a quiescent zone at the bottom of the magma chamber.

Grimm, R. E.↗
NASA NTRS1983

Flow in a differentially rotated cylindrical drop at low Reynolds number

A liquid drop held captive between parallel disks that are differentially rotated is a model for the swirling flows induced by crystal rotation in the floating-zone process for growing semiconductor materials. An asymptotic analysis for a cylindrical drop is presented that elucidates the structure of the axisymmetric cellular motions caused by disk rotation at low Reynolds number. Variations of meniscus shape induced by these flows are described in the limit of small capillary number. Most cellular flow fields break the bifurcation point that corresponds to the Plateau-Rayleigh limit for the length of a static drop into two disjoint shape families and lower the maximum stable drop length. This effect is studied by a singular bifurcation analysis.

Harriott, G. M.↗
NASA NTRS1988

Isothermal and bithermal thermomechanical fatigue behavior of a NiCoCrAlY-coated single crystal superalloy

Specimens of single crystal PWA 1480 with group of zone axes (100) orientation, bare, or with NiCoCrAlY coating PWA 276, were tested in low cycle fatigue (LCF) at 650, 870, and 1050 C, and in simplified bithermal thermomechanical fatigue (TMF) tests between these temperatures. These tests were examined as a bridge between isothermal LCF and general TMF. In the bithermal test, an inelastic strain is applied at one temperature, T sub max, and reversed at T sub min. The out-of-phase (OP) test type imposing tension at T sub min and compression at T sub max received most study, since it was more damaging than the in-phase type. Specifically investigated were the effects of: inelastic strain range, the coating, delta T, T sub max, T sub min, and the environment.

Gayda, J.↗
NASA NTRS1988

Isothermal and 'bithermal' thermomechanical fatigue behavior of a NiCoCrAlY-coated single crystal superalloy

Specimens of single crystal PWA 1480 with group of zone axes (100) orientation, bare, or with NiCoCrAlY coating PWA 276, were tested in low cycle fatigue (LCF) at 650, 870, and 1050 C, and in simplified bithermal thermomechanical fatigue (TMF) tests between these temperatures. These tests were examined as a bridge between isothermal LCF and general TMF. In the bithermal test, and inelastic strain is applied at one temperature, T sub max, and reversed at T sub min. The out-of-phase (OP) test type imposing tension at T sub min and compression at T sub max received most study, since it was more damaging than the in-phase type. Specifically investigated were the effects of: inelastic strain range, the coating, delta T, T sub max, T sub min, and the environment.

Gayda, J.↗
NASA NTRS1992

Device for mechanically stabilizing web ribbon buttons during growth initiation

The invention relates to a stabilization device for stabilizing dendritic web seed buttons during initiation of crystal growth from a float melt zone. The invention includes angular maintenance means for maintaining a constant angular orientation between the axis of a growth initiation seed and the upper surface of a web button during withdrawal of the web button from the melt. In the preferred embodiment, the angular means includes an adjustable elevation tube which surrounds the seed, the weight of which may be selectively supported by the seed button during web button withdrawal.

Henry, Paul K.↗
NASA NTRS1992

Canadian Space Agency Space Station Freedom utilization plans

Under the terms of the NASA/CSA Memorandum of Understanding, Canada will contribute the Mobile Servicing System and be entitled to use 3 percent of all Space Station utilization resources and user accommodations over the 30 year life of the Station. Equally importantly Canada, like NASA, can begin to exploit these benefits as soon as the Man-Tended Capability (MTC) phase begins, in early 1997. Canada has been preparing its scientific community to fully utilize the Space Station for the past five years; most specifically by encouraging, and providing funding, in the area of Materials Science and Applications, and in the area of Space Life Sciences. The goal has been to develop potential applications and an experienced and proficient Canadian community able to effectively utilize microgravity environment facilities such as Space Station Freedom. In addition, CSA is currently supporting four facilities; a Laser Test System, a Large Motion Isolation Mount, a Canadian Float Zone Furnace, and a Canadian Protein Crystallization Apparatus. In late April of this year CSA sent out a Solicitation of Interest (SOI) to potential Canadian user from universities, industry, and government. The intent of the SOI was to determine who was interested, and the type of payloads which the community at large intended to propose. The SOI will be followed by the release of an Announcement of Opportunity (AO) following governmental approval of the Long Term Space plan later this year, or early next year. Responses to the AO will be evaluated and prioritized in a fair and impartial payload selection process, within the guidelines set by our international partners and the Canadian Government. Payload selection is relatively simple compared to the development and qualification process. An end-to-end user support program is therefore also being defined. Much of this support will be provided at the new headquarters currently being built in St. Hubert, Quebec. It is recognized that utilizing the Space Station could be expensive for users; costing in many cases millions of dollars to get a payload from conception to retrieval. It is also recognized that some of the potential users cannot or will not invest a lot of money or effort into Space Station utilization, unless there is a perceived significant commercial potential. How best to fund Space Station payloads is under study. Space Station Freedom will provide the first opportunity for Canada to conduct experiments in a long-duration microgravity environment. CSA have been developing and funding potential users for some time, and considerable interest has been shown by the response to our SOI earlier this year. Canada can be one of the two earliest users for the Space Station, along with NASA. We hope to take full advantage of this opportunity.

Faulkner, James↗
NASA NTRS1991

Styles of zoning in central Andean ignimbrites - Insights into magma chamber processes

Data are presented showing that calc-alkaline high-K ignimbrites from the Altiplano-Puna Volcanic Complex of the Central Volcanic Zone of the Andes, showing a variety of compositional zonations. The characteristics of the juvenile material from the zoned and heterogenous ignimbrites suggest that crystallization of the observed phenocrysts occurred in prezoned magma chambers consisting of two or more layers. It is suggested that the width/height ratio of a magma chamber plays a critical role in the control of the style of zonation that may develop in a closed magma chamber.

De Silva, S. L.↗
NASA NTRS1997

First Single-Crystal Mullite Fibers

Ceramic-matrix composites strengthened by suitable fiber additions are being developed for high-temperature use, particularly for aerospace applications. New oxide-based fibers, such as mullite, are particularly desirable because of their resistance to high-temperature oxidative environments. Mullite is a candidate material in both fiber and matrix form. The primary objective of this work was to determine the growth characteristics of single-crystal mullite fibers produced by the laser-heated floating zone method. Directionally solidified fibers with nominal mullite compositions of 3Al2O3 2SiO2 were grown by the laser-heated floating zone method at the NASA Lewis Research Center. SEM analysis revealed that the single-crystal fibers grown in this study were strongly faceted and that the facets act as critical flaws, limiting fiber strength. The average fiber tensile strength is 1.15 GPa at room temperature. The mullite fibers exhibit superior strength retention (80 percent of their room temperature tensile strength at 1450 C). Examined by transmission electron microscopy, these mullite single crystals are free of dislocations, low-angle boundaries, and voids. In addition, they show a high degree of oxygen vacancy ordering. High-resolution digital images from an optical microscope furnish evidence of the formation of a liquid-liquid miscibility gap during crystal growth. These images represent the first experimental evidence of liquid immiscibility for these compositions and temperatures. Continuing investigation with controlled seeding of mullite single crystals is planned.

Source record↗
NASA NTRS1998

The Role of Marangoni Convection for the FZ-Growth of Silicon

Fluctuations of the electrical resistivity due to inhomogeneous dopant distribution are still a serious problem for the industrial processing yield of doped silicon crystals. In the case of silicon floating-zone growth, the main sources of these inhomogeneities are time- dependent flows in the liquid phase during the growth process. Excluding radio frequency (RF) induced convection, buoyancy and thermocapillary (Marangoni) convection are the two natural reasons for fluid flow. Both originate from temperature/concentration gradients in the melt, buoyancy convection through thermal/concentrational volume expansion, and thermocapillary convection through the temperature/concentration dependence of the surface tension. To improve the properties of grown crystals, knowledge of the strength, the characteristic, and the relation of these two flow mechanisms is essential. By the use of microgravity, the effect and the strength of buoyancy (gravity dependent) and thermocapillary (gravity independent) convection can be separated and clarified. Applying magnetic fields, both convective modes can be influenced: fluid flow can either be damped (static magnetic fields) or overlaid by a regular flow regime (rotating magnetic fields). Two complementary approaches have been pursued: Silicon full zones (experiments on the German sounding rockets TEXUS 7, 12, 22, 29, and 36) with the maximum temperature at half of the zone height and silicon half zones (experiments on the Japanese sounding rockets TR-IA4 and 6) with the maximum temperature at the top of the melt. With the full zone arrangement, the intensity and the frequency of the dopant striations could be determined and the critical Marangoni number could be identified. The half zone configuration is suited to classify the flow pattern and to measure the amplitude and the frequency of temperature fluctuations in the melt by inserting thermocouples or temperature sensors into the melt. All experiments have been carried out in monoellipsoid mirror furnaces. Typical zone geometries are approx. 8 to 14 mm in diameter and height. The crystals grown under microgravity are compared to crystals grown in static axial magnetic fields (B<5 tesla) and in transversal rotating magnetic fields (B<7.5 mT / f=50 Hz). Experimental results are completed by 3D numerical simulations: the obtained temperature and concentration distribution in the melt confirm the damping effect of rotating magnetic fields and explain the change in the radial segregation under static magnetic fields.

Dold, P.↗