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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

Ginzburg-Landau theory for the solid-liquid interface of bcc elements. II - Application to the classical one-component plasma, the Wigner crystal, and He-4

The previously developed Ginzburg-Landau theory for calculating the crystal-melt interfacial tension of bcc elements to treat the classical one-component plasma (OCP), the charged fermion system, and the Bose crystal. For the OCP, a direct application of the theory of Shih et al. (1987) yields for the surface tension 0.0012(Z-squared e-squared/a-cubed), where Ze is the ionic charge and a is the radius of the ionic sphere. Bose crystal-melt interface is treated by a quantum extension of the classical density-functional theory, using the Feynman formalism to estimate the relevant correlation functions. The theory is applied to the metastable He-4 solid-superfluid interface at T = 0, with a resulting surface tension of 0.085 erg/sq cm, in reasonable agreement with the value extrapolated from the measured surface tension of the bcc solid in the range 1.46-1.76 K. These results suggest that the density-functional approach is a satisfactory mean-field theory for estimating the equilibrium properties of liquid-solid interfaces, given knowledge of the uniform phases.

Zeng, X. C.↗
NASA NTRS2014

Water Content in the SW USA Mantle Lithosphere: FTIR Analysis of Dish Hill and Kilbourne Hole Pyroxenites

Kilbourne Hole (NM, USA) and Dish Hill (CA, USA) mantle xenoliths sample continental mantle in two different tectonic settings. Kilbourne Hole (KH) is located in the Rio Grande rift. Dish Hill (DH) is located in the southern Mojave province, an area potentially affected by subduction of the Farallon plate beneath North America. FTIR analyses were obtained on well characterized pyroxenite, dunite and wehrlite xenoliths, thought to represent crystallized melts at mantle depths. PUM normalized REE patterns of the KH bulk-rocks are slightly LREE enriched and consistent with those of liquids generated by < 5% melting of a spinel peridotite source. Clinopyroxenes contain from 272 to 313 ppm weight H2O similar to the lower limit of KH peridotite clinopyroxenes (250-530 ppm H2O). This is unexpected as crystallized melts like pyroxenites should concentrate water more than residual mantle-like peridotites, given that H is incompatible. PUM normalized bulk REE of the DH pyroxenites are characterized by flat to LREE depleted REE profiles consistent with > 6% melting of a spinel peridotite source. Pyroxenite pyroxenes have no detectable water but one DH wehrlite, which bulk-rock is LREE enriched, has 4 ppm H2O in orthopyroxene and <1ppm in clinopyroxene. The DH pyroxenites may thus come from a dry mantle source, potentially unaffected by the subduction of the Farallon plate. These water-poor melts either originated from shallow oceanic lithosphere overlaying the Farallon slab or from continental mantle formed > 2 Ga. The Farallon subduction appears to have enriched in water the southwestern United States lithospheric mantle further east than DH, beneath the Colorado plateau.

Gibler, Robert↗
NASA NTRS1991

Disordering and H-embrittlement of Pb(110) surface using embedded atom method and molecular dynamics

The dynamics and structure of the crystal melt interface are of great importance in crystal growth, melting, and other properties of the solid-liquid interface. The Embedded Atom Method (EAM), a semiempirical method developed by Daw and Baskes for determining the energetics of atoms in a bulk environment, is a useful method in the computer simulation. The EAM functions of PB in conjunction with the MD code are employed to study melting and disordering of the Pb(100) surface. The EAM functions are fitted to the bulk experimental data at zero temperature, and it is not clear if it will behave correctly at higher temperatures. In fact, it is shown that use of a similar type of potential at higher temperatures might result in a negative coefficient of thermal expansion. The primary purpose here is to perform MD simulation combined with the EAM functions of PB to study melting of the Pb(100) surface. This provides an accurate test of the EAM functions at higher temperatures. In particular, we calculate the two dimensional structure factor, the two dimensional distribution function, and density profile as a function of temperature up to the melting point of lead.

Karimi, Majid↗
NASA NTRS1985

Convective influence on the stability of a cylindrical solid-liquid interface

Experiments in which a long vertical, heated wire is surrounded by concentric annuli of a melt and its crystalline solid show that the convection state changes from a stable unicell surrounded by a stationary cylindrical solid-liquid interface, to a complex time-dependent flow surrounded by a rotating, helical solid-liquid interface. This transition occurs at a Grashof number of approximately 150, which is an order of magnitude less than the critical Grashof number calculated for a liquid annulus surrounded by rigid walls. A linear stability analysis has been carried out for an infinitely tall vertical annulus. When the deformable nature of the crystal-melt interface is taken into account in the boundary conditions, two new modes of instability arise. The most dangerous mode is asymmetrical and corresponds to helical waves travelling vertically upwards. The critical Grashof number and the scaling properties of the eigenstate agree with experiments. The results clearly demonstrate the coupling of convection with crystal-melt interfacial instabilities.

Fang, Q. T.↗
NASA NTRS1999

Modeling the Freezing of SN in High Temperature Furnaces

Presently, crystal growth furnaces are being designed that will be used to monitor the crystal melt interface shape and the solutal and thermal fields in its vicinity during the directional freezing of dilute binary alloys, To monitor the thermal field within the solidifying materials, thermocouple arrays (AMITA) are inserted into the sample. Intrusive thermocouple monitoring devices can affect the experimental data being measured. Therefore, one objective of this work is to minimize the effect of the thermocouples on the data generated. To aid in accomplishing this objective, two models of solidification have been developed. Model A is a fully transient, one dimensional model for the freezing of a dilute binary alloy that is used to compute temperature profiles for comparison with measurements taken from the thermocouples. Model B is a fully transient two dimensional model of the solidification of a pure metal. It will be used to uncover the manner in which thermocouple placement and orientation within the ampoule breaks the longitudinal axis of symmetry of the thermal field and the crystal-melt interface. Results and conclusions are based on the comparison of the models with experimental results taken during the freezing of pure Sn.

Brush, Lucien↗
NASA NTRS1976

Partitioning of chromium between silicate crystals and melts

Experiments were performed determining the distribution of chromium between olivine, pyroxenes, and melt at oxygen fugacity values near those of lunar rocks for a wide range of bulk compositions. The range of values of D-Cr (wt% of Cr2O3 in crystals/Cr2O3 in melt) is 0.6-1.3 for olivine and 1.6-3.5 for pyroxene; this ratio shows no obvious dependence on any experimental parameter.

Huebner, J. S.↗
NASA NTRS1993

Evaporation kinetics of Mg2SiO4 crystals and melts from molecular dynamics simulations

Computer simulations based on the molecular dynamics (MD) technique were used to study the mechanisms and kinetics of free evaporation from crystalline and molten forsterite (i.e., Mg2SiO4) on an atomic level. The interatomic potential employed for these simulations reproduces the energetics of bonding in forsterite and in gas-phase MgO and SiO2 reasonably accurately. Results of the simulation include predicted evaporation rates, diffusion rates, and reaction mechanisms for Mg2SiO4(s or l) yields 2Mg(g) + 20(g) + SiO2(g).

Kubicki, J. D.↗
NASA NTRS1994

Diffusive modification of primary zoning in olivine cores in Angrite LEW 87051

Angrite LEW 87051 consists of large olivine crystals set in a fine-grained groundmass that clearly represents a crystallized melt. A few olivines contain Ca-poor, Cr-rich cores that crystallized from a very different melt than the outer part of the crystals constituting the majority of olivine in LEW 87051. We evaluate a model in which the cores formed through fractional crystallization of one melt, then were incorporated into a different melt as xenocrysts, whereupon the original zoning patterns were modified by diffusion. Using a similar approach, we calculate zoning patterns for the cores that would result from perfect fractional crystallization, compare them with the observed zoning, and determine whether the differences could result from diffusive modification consistent with known diffusion rates for Ca, Mn, and Cr. Using distribution coefficients from the 1400 C, IW + 1 experiments, we computed CaO, Cr2O3, and MnO abundances in the hypothetical parent melt by inverting the olivine at the centers of the cores. We further assumed that the primary zoning profile for CaO is essentially unmodified, because the diffusion rate of Ca in olivine is slow. We carried out the fractional crystallization calculation until the calculated Ca content was that observed at break in zoning profiles at the outer edge of the core. We then normalized the distance of this calculated profile to the length of the observed profile in the olivine core and calculated profiles for MnO and Cr2O3. The CaO zoning profile agrees well with the observed profile. The observed MnO profile is slightly higher than the calculated profile near the edge. Diffusion calculations indicate that reversal of the general trend of primary zoning through diffusion would require that diffusion of Cr is 5-10x faster than that of Mn.

Mikouchi, T.↗
NASA NTRS2008

Interface Shape Control Using Localized Heating during Bridgman Growth

Numerical calculations were performed to assess the effect of localized radial heating on the melt-crystal interface shape during vertical Bridgman growth. System parameters examined include the ampoule, melt and crystal thermal conductivities, the magnitude and width of localized heating, and the latent heat of crystallization. Concave interface shapes, typical of semiconductor systems, could be flattened or made convex with localized heating. Although localized heating caused shallower thermal gradients ahead of the interface, the magnitude of the localized heating required for convexity was less than that which resulted in a thermal inversion ahead of the interface. A convex interface shape was most readily achieved with ampoules of lower thermal conductivity. Increasing melt convection tended to flatten the interface, but the amount of radial heating required to achieve a convex interface was essentially independent of the convection intensity.

Volz, M. P.↗
NASA NTRS2008

Interface Shape Control using Localized Heating during Bridgman Growth

Numerical calculations were performed to assess the effect of localized radial heating on the melt-crystal interface shape during vertical Bridgman growth. System parameters examined include the ampoule, melt and crystal thermal conductivities, the magnitude and width of localized heating, and the latent heat of crystallization. Concave interface shapes, typical of semiconductor systems, could be flattened or made convex with localized heating. Although localized heating caused shallower thermal gradients ahead of the interface, the magnitude of the localized heating required for convexity was less than that which resulted in a thermal inversion ahead ofthe interface. A convex interface shape was most readily achieved with ampoules of lower thermal conductivity. The conditions under which convection in the melt must be considered were determined.

Volz, M. P.↗
NASA NTRS1978

Dynamic crystallization and kinetic melting of the lunar soil

Dynamic crystallization and kinetic melting tests have been conducted for a lunar soil that resembles the bulk composition of the matrices of melt-rock breccias. The melting tests indicate that plagioclase and olivine can exist for finite times above their equilibrium liquidus temperatures; within 20-30 C below its liquidus temperature the sample is choked with crystals. A range of textures from radiate to porphyritic pyroxene-plagioclase granophyric to subophitic to intergranular to intersertal to very fine-grained poikilitic is found in the dynamic crystallization experiments. The number of nuclei, as deduced from the textures, increases as the melting temperature deceases from above the liquidus to below.

Lofgren, G. E.↗
NASA NTRS1986

Analytical and numerical studies of the thermocapillary flow in a uniformly floating zone

The microgravity environment of an orbiting vehicle permits crystal growth experiments in the presence of greatly reduced buoyant convection in the liquid melt. Crystals grown in ground-based laboratories do not achieve their potential properties because of dopant variations caused by flow in the melt. The floating zone crystal growing system is widely used to produce crystals of silicon and other materials. However, in this system the temperature gradient on the free sidewall surface of the melt is the source of a thermocapillary flow which does not disappear in the low-gravity environment. The idea of using a uniform rotation of the floating zone system to confine the thermocapillary flow to the melt sidewall leaving the interior of the melt passive is examined. A cylinder of fluid with an axial temperature gradient imposed on the cylindrical sidewall is considered. A half zone and the linearized, axisymmetric flow in the absence of crystal growth is examined. Rotation is found to confine the linear thermocapillary flow. A simplified model is extended to a full zone and both linear and nonlinear thermocapillary flows are studied theoretically. Analytical and numerical methods are used for the linear flows and numerical methods for the nonlinear flows. It was found that the linear flows in the full zone have more complicated and thicker boundary layer structures than in the half zone, and that these flows are also confined by the rotation. However, for the simplified model considered and for realistic values for silicon, the thermocapillary flow is not linear. The fully nonlinear flow is strong and unsteady (a weak oscillation is present) and it penetrates the interior. Some non-rotating flow results are also presented. Since silicon as a large value of thermal conductivity, one would expect the temperature fields to be determined by conduction alone. This is true for the linear and weakly nonlinear flows, but for the stronger nonlinear flow the results show that temperature advection is also important. Uniform rotation may still be a means of confining the flow and the results obtained define the procedure to be used to examine this hypothesis.

Fowlis, W. W.↗
NASA NTRS1998

Study of Interesting Solidification Phenomena on the Ground and in Space (MEPHISTO)

Real-time Seebeck voltage variations in a Sn-Bi melt during directional solidification in the MEPHISTO spaceflight experiment flown on the USMP-3 mission, can be correlated with well characterized thruster firings and an Orbiter Main System (OMS) burn. The Seebeck voltage measurement is related to the response of the instantaneous average melt composition at the melt-crystal interface. This allowed us to make a direct comparison of numerical simulations with the experimentally obtained Seebeck signals. Based on the results of preflight and real-time computations, several well-defined thruster firing events were programmed to occur at specific times during the experiment. In particular, we simulated the effects of the thruster firings on melt and crystal composition in a directionally solidifying Sn-Bi alloy. The relative accelerations produced by the firings were simulated by impulsive accelerations of the same magnitude, duration and orientation as the requested firings. A comparison of the simulation results with the Seebeck signal indicates that there is a good agreement between the two. This unique opportunity allows us, for the first time, to quantitatively characterize actual g-jitter effects on an actual crystal growth experiment and to properly calibrate our models of g-jitter effects on crystal growth.

Favier, J.-J.↗
NASA NTRS1999

Study of Interesting Solidification Phenomena on the Ground and in Space (MEPHISTO)

Real-time Seebeck voltage variations in a Sn-Bi melt during directional solidification in the MEPHISTO spaceflight experiment flown on the USMP-3 mission, have been correlated with well-characterized thruster firings and an Orbiter Main System (OMS) burn. The Seebeck voltage measurement is related to the response of the instantaneous average melt composition at the melt-crystal interface. This allowed us to make a direct comparison of numerical simulations with the experimentally obtained Seebeck signals. Based on the results of preflight and real-time computations, several well-defined thruster firing events were programmed to occur at specific times during the experiment. In particular, we simulated the effects of the thruster firings on melt and crystal composition in a directionally solidifying Sn-Bi alloy. The relative accelerations produced by the firings were simulated by impulsive accelerations of the same magnitude, duration and orientation as the requested firings. A comparison of the simulation results with the Seebeck signal indicates that there is a good agreement between the two. This unique opportunity allows us to make the first quantitative characterization of actual g-jitter effects on an actual crystal growth experiment and to calibrate our models of g-jitter effects on crystal growth.

Alexander, J. Iwan D.↗
NASA NTRS1976

Growing crystals from eutectic melts

Inverted Bridgman Method yields crystals of higher homogeneity and better structure than those grown by ordinary Bridgman method. Process controls thermotransport by holding molten alloy in known temperature for known period of time. Rapid cooling quenches in state of segregation. Method is applicable to other eutectiferous systems where thermotransport is appreciable.

Bhat, B. N.↗
NASA NTRS1991

Chassigny petrogenesis - Melt compositions, intensive parameters, and water contents of Martian (?) magmas

This paper considers petrogenesis of SNC meteorites by examining partially crystallized melt inclusions in cumulus olivine grains in Chassigny meteorite. First, all phases in the Chassigny inclusions were analyzed by electron microprobe, followed by an experimental investigation of the kaersutite/melt equilibria. Results yield the intensive parameters which stabilize igneous kaersutite and the melt compositions that coexist with kaersutite. The results are used to model Chassigny petrogenesis. It is argued that the existence in the Chassigny of hydrous melts and the conditions appropriate for amphibole crystallization suggest the existence on the Chassigny parent body (Mars) of SiO2-rich lavas.

Johnson, Marie C.↗