Search NASA⌕ Search

SEARCH · Search NASA

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Linear-stability theory of thermocapillary convection in a model of float-zone crystal growth

Linear-stability theory has been applied to a basic state of thermocapillary convection in a model half-zone to determine values of the Marangoni number above which instability is guaranteed. The basic state must be determined numerically since the half-zone is of finite, O(1) aspect ratio with two-dimensional flow and temperature fields. This, in turn, means that the governing equations for disturbance quantities will remain partial differential equations. The disturbance equations are treated by a staggered-grid discretization scheme. Results are presented for a variety of parameters of interest in the problem, including both terrestrial and microgravity cases.

Neitzel, G. P.↗
DOE OSTI2023

Floating zone crystal growth, structure, and properties of a cubic Li 5.5 La 3 Nb 1.5 Zr 0.5 O 12 garnet-type lithium-ion conductor

As a promising candidate for solid-state electrolytes in Li-ion batteries, the garnet-type Li-ion conductor series Li 5+x La 3 Nb 2-x Zr x O 12 (LLNZO) (0 ≤ x ≤ 2) exhibits high ionic conductivity at room temperature. However, no previous single-crystal growth or characterization has been reported for LLNZO compositions 0 ≤ x ≤ 1. To obtain a complete understanding of the trend in the structure–property relationship in this class of materials, we used the floating zone (FZ) method to grow a single crystal of Li 5.5 La 3 Nb 1.5 Zr 0.5 O 12 that was 4 mm in diameter and 10 mm in length. Using Laue neutron single-crystal diffraction, two distinct Li sites were observed: tetrahedral 24d and octahedral 96h sites. The maximum entropy method (MEM) based on neutron single-crystal diffraction data was used to map Li nuclear density and estimate that the bottleneck of Li transport exists between neighboring tetrahedral and octahedral sites, and that Li is delocalized between split octahedral sites. Room-temperature Li-ion conductivity in Li 5.5 La 3 Nb 1.5 Zr 0.5 O 12 measured with electrochemical impedance spectroscopy (EIS) was 1.37 × 10 -4 S cm -1 . The Li migration activation energy was estimated to be 0.50 eV from EIS and 0.47 eV from dielectric relaxation measurements. The Li-ion jump attempt rate was estimated to be 1.47 × 10 12 Hz while the time scale of successful migration is 10 -7 to 10 -6 s.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Edge-defined contact heater apparatus and method for floating zone crystal growth

An apparatus for growing a monocrystalline body (30) from a polycrystalline feed rod (22) includes a heater (20) that is positioned to heat a short section of the polycrystalline rod (22) to create a molten zone (34). The heater (20) is formed to include a shaper (40) that contacts the polycrystalline rod (22) in the molten zone (34) and has a hole (46) to allow flow in the molten zone (34) between the polycrystalline rod (22) side and the monocrystalline body (30) side of the shaper. The shaper (40) has an edge (42) that defines the boundary of the cross-section of the monocrystalline body (30) that is formed as the molten material solidifies.

Kou, Sindo↗
NASA NTRS1984

Thermocapillary-driven convection in supported and floating-zone crystallization

Marangoni flow was induced in a thin disk of molten tin with an atomically clean surface by heating it from below in an ultra high vacuum apparatus. The radial distribution of temperature was measured and no temperature oscillations were observed. Strong mechanical disturbances introduced at a Marangoni number of about 4300 died out quickly with time indicating that the system was stable. Mathematical models indicate that strong flows in a two cell structure exist under the conditions studied, and that the velocity profile in the cell near the surface is of the boundary layer type which varies rapidly with depth.

Gill, W. N.↗
NASA NTRS1990

Crystal chemical effects on the partitioning of trace elements between mineral and melt - An experimental study of melilite with applications to refractory inclusions from carbonaceous chondrites

Results are presented on the partitioning experiments for trace elements Be, Sc, Ba, La, Ce, and Tm between melilite and melt for a bulk composition relevant to Type B inclusions, using a technique, described by Brody and Flemings (1966), by which distributon coeffecients can be obtained over the entire range of crystallization from trace element analysis of a single zoned crystal. Zoned crystals of melilite were grown during controlled cooling rate experiments, and trace element concentrations were determined by SIMS. At each step in the crystal growth, trace element concentrations in the coexisting melt were determined by mass balance, using stepwise integration of a Rayleigh fractionation equation.

Beckett, John R.↗
NASA NTRS1989

Thermocapillary convection in zone-melting crystal growth - An open-boat physical simulation

Thermocapillary convection in a molten zone of NaNO3 contained in a boat with a free horizontal surface, that is heated from above by a centered wire heater, was studied to simulate flow in zone-melting crystal growth. Using a laser-light-cut technique and fine SiO powder as a tracer, convection in the melt zone was visualized in two different cases. In the first case, the entire melt surface was free, while in the second the melt surface was free only in the immediate vicinity of one vertical wall and was covered elsewhere, this wall being to simulate the melt/crystal interface during crystal growth. It was observed that thermocapillary convection near this wall prevailed in the first case, but was reduced significantly in the second. Since thermocapillary rather than natural convection dominated in the melt, the effect of the partial covering of the melt surface on thermocapillary convection in the melt observed in this study is expected to be similar under microgravity.

Kim, Y. J.↗
NASA NTRS1993

Stability and instability of thermocapillary convection in models of the float-zone crystal-growth process

This project was concerned with the determination of conditions of guaranteed stability and instability for thermocapillary convection in a model of the float-zone crystal-growth process. This model, referred to as the half-zone, was studied extensively, both experimentally and theoretically. Our own earlier research determined, using energy-stability theory, sufficient conditions for stability to axisymmetric disturbances. Nearly all results computed were for the case of a liquid with Prandtl Number Pr = 1. Attempts to compute cases for higher Prandtl numbers to allow comparison with the experimental results of other researchers were unsuccessful, but indicated that the condition guaranteeing stability against axisymmetric disturbances would be a value of the Marangoni number (Ma), significantly higher than that at which oscillatory convection was observed experimentally. Thus, additional results were needed to round out the stability picture for this model problem. The research performed under this grant consisted of the following: (1) computation of energy-stability limits for non-axisymmetric disturbances; (2) computation of linear-stability limits for axisymmetric and non-axisymmetric disturbances; (3) numerical simulation of the basic state for half- and full-zones with a deformable free surface; and (4) incorporation of radiation heat transfer into a model energy-stability problem. Each of these is summarized briefly below.

Neitzel, G. P.↗
NASA NTRS1993

Contactless heater floating zone refining and crystal growth

Floating zone refining or crystal growth is carried out by providing rapid relative rotation of a feed rod and finish rod while providing heat to the junction between the two rods so that significant forced convection occurs in the melt zone between the two rods. The forced convection distributes heat in the melt zone to allow the rods to be melted through with a much shorter melt zone length than possible utilizing conventional floating zone processes. One of the rods can be rotated with respect to the other, or both rods can be counter-rotated, with typical relative rotational speeds of the rods ranging from 200 revolutions per minute (RPM) to 400 RPM or greater. Zone refining or crystal growth is carried out by traversing the melt zone through the feed rod.

Kou, Sindo↗
NASA NTRS1978

A numerical treatment of melt/solid segregation - Size of the eucrite parent body and stability of the terrestrial low-velocity zone

Crystal sinking to form cumulates and melt percolation toward segregation in magma pools can be treated with modifications of Stokes' and Darcy's laws, respectively. The velocity of crystals and melt depends, among other things, on the force of gravity (g) driving the separations and the cooling time of the environment. The increase of g promotes more efficient differentiation, whereas the increase of cooling rate limits the extent to which crystals and liquid can separate. The rate at which separation occurs is strongly dependent on the proportion of liquid that is present. The observation of cumulates and segregated melts among the eucrite meteorites is used as a basis for calculating the g (and planet size) required to perform these differentiations. The eucrite parent body was probably at least 10-100 km in radius. The earth's low velocity zone (LVZ) is shown to be unstable with respect to draining itself of excess melt if the melt forms an interconnecting network. A geologically persistent LVZ with a homogeneous distribution of melt can be maintained with melt fractions only on the order of 0.1% or less.

Walker, D.↗
NASA NTRS1991

Energy stability of thermocapillary convection in a model of the float-zone crystal-growth process. II - Nonaxisymmetric disturbances

Energy-stability theory has been applied to investigate the stability properties of thermocapillary convection in a half-zone model of the float-zone crystal-growth process. An earlier axisymmetric model has been extended to permit nonaxisymmetric disturbances, thus determining sufficient conditions for stability to disturbances of arbitrary amplitude. The results for nonaxisymmetric disturbances are compared with earlier axisymmetric results, with linear-stability results for a geometry with an infinitely long aspect ratio and with stability boundaries from recent laboratory experiments.

Neitzel, G. P.↗
NASA NTRS1990

Energy stability of thermocapillary convection in a model of the float-zone crystal-growth process

Energy stability theory has been applied to a basic state of thermocapillary convection occurring in a cylindrical half-zone of finite length to determine conditions under which the flow will be stable. Because of the finite length of the zone, the basic state must be determined numerically. Instead of obtaining stability criteria by solving the related Euler-Lagrange equations, the variational problem is attacked directly by discretization of the integrals in the energy identity using finite differences. Results of the analysis are values of the Marangoni number below which axisymmetric disturbances to the basic state will decay, for various values of the other parameters governing the problem.

Shen, Y.↗
NASA NTRS2001

The Science of Detached Bridgman Growth and Solutocapillary Convection in Solid Solution Crystals

Bridgman and Float-zone crystal growth experiments are planned for NASA's First Materials Science Research Rack using the European Space Agency's Materials Science Laboratory with the Low Gradient Furnace (LGF) and Float Zone Furnace with Rotating Magnetic Field (FMF) inserts, respectively. Samples will include germanium and germanium-silicon alloys with up to 10 atomic percent silicon. The Bridgman part of the investigation includes detached growth samples and so there will be a solid-liquid-gas tri-junction in those experiments just as there will be in all float-zone experiments. There are other similarities as well as significant differences between the types of growth that will be discussed. The presentation will call attention to the reasons that experiments in microgravity will provide information unattainable from Earth-based experiments.

Szofran, F. R.↗
DOE OSTI2026

Coupled CVD and Float Zone Reactor for Lower Cost, Higher Efficiency Si Boules (Final Technical Report)

This project modeled a new type of photovoltaic (PV) Si production reactor with the promise to reduce the cost, increase the efficiency, and reduce the energy required to manufacture Si wafers. The production of photovoltaic (PV) grade Si is well established, based on the pulling of single crystalline Si boules from polycrystalline Si created from trichlorosilane using the Siemens process. However, these processes are very energy intensive, and manufacturing of PV Si occurs almost entirely in China. To disrupt this paradigm and on-shore production of this critical material and provide benefits to the public, a substantial technological leap is required to move past incumbent technology. This study evaluated a new float zone chemical vapor deposition (Fz-CVD) concept in which trichlorosilane (TCS), the feedstock for polysilicon in the Siemens process, is injected directly into a float zone crystallizer to continuously deposit the feed rod for the boule pulling process through a combination of multiphysics modeling and technoeconomic analysis.

14 SOLAR ENERGY↗
NASA NTRS2001

Measurement of Microscopic Growth Rates in Float-Zone Silicon Crystals

Time dependent convective flows during crystal growth of doped semiconductors lead to fluctuations of the composition, so called dopant striations. In general, it is difficult to decide which is the main mechanism for the generation of these striations, it might be either the fluctuation of the concentration field in the melt and the extent of the solute boundary layer ahead of the solid-liquid interface or a variation of the growth velocity. Direct access to the concentration field is rather complicated to achieve, especially considering the high process temperature and the chemical activity of liquid silicon. The contribution of growth rate fluctuations to the formation of compositional fluctuations can be determined by measuring microscopic growth rates. The classical method of current pulses requires electrical feed-throughs and good electrical contacts, both are critical issues for the growth of high purity silicon crystals. Using a radiation based heating system, the heating power can be modulated very fast and effectively. We added to the normal heater power a sinusoidal off-set in the frequency range of 1 to 10 Hz, generating a narrow spaced weak rippling in the grown crystals which are superposed to the dopant striations caused by natural and by thermocapillary convection. The pulling speed was varied between 1 and 4mm/min. The microscope images of etched crystals slices have been analyzed by peak-search algorithms (measuring the spacing between each artificially induced marker) and by FFT. Performing growth experiments under a time-dependent flow regime, fluctuations of the microscopic growth velocity of Delta(v)/v(sub average) up to 50% have been measured. Damping the time-dependent convection by the use of an axial, static magnetic field of 500mT, the microscopic growth rate became constant within the resolution limit of this method. The results will be discussed using analytical methods for the calculation of microscopic growth velocity and by comparing them with measurements of temperature fluctuations in the melt during growth experiments itself.

Dold, P.↗
DOE OSTI2025

Thermodynamically leveraged solventless aerobic deconstruction of polyethylene-terephthalate plastics over a single-site molybdenum-dioxo catalyst

Here, we describe the solventless catalytic deconstruction of polyethylene-terephthalate (PET) under an aerobic atmosphere, mediated by an earth-abundant, low-cost activated carbon (AC)-supported single-site molybdenum-dioxo catalyst (AC/MoO 2 ). Catalytic amounts of AC/MoO 2 selectively convert waste PET into its monomer, terephthalic acid (TPA), within 4 h at 265 °C with yields as high as 94% under 1 atm air. Pure crystalline TPA product sublimes from the reaction hot zone, crystallizing on the reactor cold zone, thus avoiding the need for separation and purification steps. This process does not employ any hazardous/toxic reducing agents or solvents, and the catalyst can be recycled multiple times without loss of activity, rendering this process highly atom-efficient. According to computational and experimental mechanistic studies, the AC/MoO 2 catalyst mediates a thermoneutral metal-catalyzed β-scission step, followed by an exothermic step that converts the vinyl benzoate intermediate to TPA and acetaldehyde using trace amounts of moisture in the air. The formation of gaseous acetaldehyde makes the isolation of TPA from the reaction mixture facile and industrially favorable, especially since solvents are unnecessary. The present methodology is also extended to the deconstruction of other frequently used polyester plastics, polybutylene terephthalate (PBT), polyethylene naphthalate (PEN), and polyethylene furanoate (PEF), and operates equally well with post-consumer waste products. Notably, this process is also compatible with plastic mixtures of polyesters with polyolefins, polyamides, and polycarbonates, leading to the selective conversion of each polyester to the corresponding monomer, leaving the residual polymer unchanged and polyester-free.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

High-purity silicon crystal growth investigations

Information is given on evaporation and segregation contributions to impurity profiles of floating zone crystals (FZ); high-purity silicon float zoning (FZ); minority-carrier lifetime measurement of heavily doped silicon crystals; the effect of some crystal growth parameters on minority-carrier lifetime; and defect investigations by X-ray topography in graphical and tabular form. It was concluded that evaporation contributes substantially to impurity reduction when FZ or cold-crucible growth is conducted in a vacuum; boron and gallium may be more favorable dopants than indium or aluminum for obtaining high minority-carrier lifetimes; minority-carrier lifetimes greater than 100 microseconds are feasible at a 2 times 10 to the 17th power cm-3 doping level; minority-carrier lifetime decreases with increasing crystal cooling rate and also with the presence of dislocations; the method used to clean silicon feed rods affects lifetime; and microdefect densities in dislocation-free FZ crystals appear to be lower with Ga doping than with B doping.

Ciszek, T. F.↗