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All sourcesNASA NTRSDOE OSTI
NASA NTRS2004

Metal-Silicate Segregation in Deforming Dunitic Rocks: Applications to Core Formation in Europa and Ganymede

Core formation is an important event in the evolution of a planetary body, affecting both the geochemical and geophysical properties of the body. Metal-silicate segregation could have proceeded either by settling of liquid metal through a magma ocean or by percolation of liquid metal through a solid silicate mantle. Percolation of metallic melt had previously been excluded as a viable segregation mechanism because metallic melts do not form an interconnected network under hydrostatic conditions, except at high melt fraction (>5 vol%), due to the high dihedral angle between metals and silicates (>60 ). Without an interconnected network, porous flow of metallic melt is impossible, leaving the magma ocean scenario as the only mechanism to form the core. Moment-of-inertia measurements of Europa and Ganymede from the Galileo probe indicate that they are differentiated. This evidence suggests that a method for segregating metals and silicates at temperatures low enough to retain volatile compounds must exist. We have investigated the effect of deformation on the distribution of metallic melts in silicates. We have deformed samples of olivine + 5-9 vol% Fe-S to strains of 2.5 in simple shear and find that the metallic melt segregates into melt-rich planes oriented at 20 to the shear plane. These metallic melt-rich bands are similar in structure to the silicate melt-rich bands reported by Holtzman, indicating that deformation can interconnect isolated metallic melt pockets and allow porous flow of non-wetting melts. Such a core formation process could have occurred in the jovian satellites.

Hustoft, J. W.↗
NASA NTRS2003

Surface Segregation Energies of BCC Binaries from Ab Initio and Quantum Approximate Calculations

We compare dilute-limit segregation energies for selected BCC transition metal binaries computed using ab initio and quantum approximate energy method. Ab initio calculations are carried out using the CASTEP plane-wave pseudopotential computer code, while quantum approximate results are computed using the Bozzolo-Ferrante-Smith (BFS) method with the most recent parameterization. Quantum approximate segregation energies are computed with and without atomistic relaxation. The ab initio calculations are performed without relaxation for the most part, but predicted relaxations from quantum approximate calculations are used in selected cases to compute approximate relaxed ab initio segregation energies. Results are discussed within the context of segregation models driven by strain and bond-breaking effects. We compare our results with other quantum approximate and ab initio theoretical work, and available experimental results.

Good, Brian S.↗
NASA NTRS2021

Segregation Evolution and Diffusion of Titanium in Directed Energy Deposited NASA HR-1

Titanium segregation in single-pass directed energy deposited (DED) NASA HR-1 is very difficult to control because grain size varies considerably and many large grains (>100 μm) are present. Therefore, homogenization kinetic analysis was performed to see how the homogenization process should be adjusted to mitigate titanium segregation. A basic model for titanium diffusion in NASA HR-1 was developed to project titanium segregation as a function of homogenization temperature, time, and grain size. The homogenization kinetic analysis provides a valuable reference on how the homogenization treatment should be adjusted to reduce titanium segregation to a very low level for DED NASA HR-1.

liquid rocket engine↗
NASA NTRS1972

Thermal effects in equilibrium surface segregation in a copper/10-atomic-percent-aluminum alloy using Auger electron spectroscopy

Equilibrium surface segregation of aluminum in a copper-10-atomic-percent-aluminum single crystal alloy oriented in the /111/ direction was demonstrated by using Auger electron spectroscopy. This crystal was in the solid solution range of composition. Equilibrium surface segregation was verified by observing that the aluminum surface concentration varied reversibly with temperature in the range 550 to 850 K. These results were curve fitted to an expression for equilibrium grain boundary segregation and gave a retrieval energy of 5780 J/mole (1380 cal/mole) and a maximum frozen-in surface coverage three times the bulk layer concentration. Analyses concerning the relative merits of sputtering calibration and the effects of evaporation are also included.

Ferrante, J.↗
NASA NTRS1980

Exploratory models of the earth's thermal regime during segregation of the core

Some simple exploratory theoretical models of the thermal effects of core segregation have been investigated, assuming an initially homogeneous earth and including convective heat transport through a 'parameterized convection' approximation. The results indicate that either (1) mantle temperatures 30% or more above present values may have resulted from the gravitational energy released during core segregation, (2) the earth retained very little of its accretional energy, (3) core segregation lasted for one billion years or more, or (4) the earth accreted heterogeneously. Option 3 seems to be precluded by terrestrial lead isotope data, and the alternatives each raise substantial questions concerning the mechanics, chemistry, and petrology of the earth's early history. There is no recognized evidence for the early hot phase of option 1, and option 4 implies, among other things, an analogous early hot phase. Although it has not been favored, option 2 may be viable.

Davies, G. F.↗
NASA NTRS1982

Finite element analysis of the effect of a non-planar solid-liquid interface on the lateral solute segregation during unidirectional solidification

The effect of solid-liquid interface shape on lateral solute segregation during steady-state unidirectional solidification of a binary mixture is calculated under the assumption of no convection in the liquid. A finite element technique is employed to compute the concentration field in the liquid and the lateral segregation in the solid with a curved boundary between the liquid and solid phases. The computational model is constructed assuming knowledge of the solid-liquid interface shape; no attempt is made to relate this shape to the thermal field. The influence of interface curvature on the lateral compositional variation is investigated over a range of system parameters including diffusivity, growth speed, distribution coefficient, and geometric factors of the system. In the limiting case of a slightly nonplanar interface, numerical results from the finite element technique are in good agreement with the analytical solutions of Coriell and Sekerka obtained by using linear theory. For the general case of highly non-planar interface shapes, the linear theory fails and the concentration field in the liquid as well as the lateral solute segregation in the solid can be calculated by using the finite element method.

Carlson, F. M.↗
NASA NTRS1983

Radial segregation induced by natural convection and melt/solid interface shape in vertical Bridgman growth

The roles of natural convection in the melt and the shape of the melt/solid interface on radial dopant segregation are analyzed for a prototype of vertical Bridgman crystal growth system by finite element methods that solve simultaneously for the velocity field in the melt, the shape of the solidification isotherm, and the temperature distribution in both phases. Results are presented for crystal and melt with thermophysical properties similar to those of gallium-doped germanium in Bridgman configurations with melt below (thermally destabilizing) and above (stabilizing) the crystal. Steady axisymmetric flow are classified according to Rayleigh number as either being nearly the growth velocity, having a weak cellular structure or having large amplitude cellular convention. The flows in the two Bridgman configurations are driven by different temperature gradients and are in opposite directions. Finite element calculations for the transport of a dilute dopant by these flow fields reveal radial segregation levels as large as sixty percent of the mean concentration. Segregation is found most severe at an intermediate value of Rayleigh number above which the dopant distribution along the interface levels as the intensity of the flow increases.

Chang, C. J.↗
NASA NTRS1985

Solutal Convection and Its Effects on Crystal Growth and Segregation in Binary and Pseudo-Binary System with Large Liquidus-Solidus Separation

This research program is composed of theoretical and experimental studies of solutal convection and its effects on crystal growth and segregation in binary and pseudo-binary systems with large liquidus-solidus separation. The theoretical program has resulted in the development of a transient simulation of the growth of concentrated alloys in microgravity and has been used to study the dynamics of GeSi, PbSnTe, HgCdTe growth. Finite element analysis has also been developed for studying the interactions of buoyancy-driven convection in the melt caused by temperature and concentration variations with melt-solid interface morphology and alloy segregation in the grown crystal. These calculations are being compared directly to experimental measurements of segregation and interface shape for GeSi growth and GaGe growth. The results for SiGe indicate that careful design of the thermal system can result in almost diffusion-controlled growth on Earth because of the stablizing influence of the concentration gradient ahead of the solidification front.

Brown, R. A.↗
NASA NTRS1993

Experimental segregation of iron-nickel metal, iron-sulfide, and olivine in a thermal gradient: Preliminary results

Speculation about the possible mechanisms for core formation in small asteroids raises more questions than answers. Petrologic evidence from iron meteorites, pallasites, and astronomical observations of M asteroids suggests that many small bodies were capable of core formation. Recent work by Taylor reviews the geochemical evidence and examines the possible physical/mechanical constraints on segregation processes. Taylor's evaluation suggests that extensive silicate partial melting (preferably 50 vol. percent or greater) is required before metal can segregate from the surrounding silicate and form a metal core. The arguments for large degrees of silicate partial melting are two-fold: (1) elemental trends in iron meteorites require that the metal was at is liquidus; and (2) experimental observations of metal/sulfide inclusions in partially molten silicate meteorites show that the metal/sulfide tends to form spherules in the liquid silicate due to surface tension effects. Taylor points out that for these metal spherules to sink through a silicate mush, high degrees of silicate partial melting are required to lower the silicate yield strength. Although some qualitative experimental data exists, little is actually known about the behavior of metals and liquid sulfides dispersed in silicate systems. In addition, we have been impressed with the ability of cumulative olivine to expel trapped liquid when placed in a thermal gradient. Consequently, we undertook to accomplish the following: (1) experimentally evaluate the potential for metal/sulfide/silicate segregation in a thermal gradient; and (2) obtain quantitative data of the wetting parameters of metal-sulfide melts among silicate grains.

Jurewicz, Stephen R.↗
NASA NTRS1994

Numerical formulation of composition segregation at curved solid-liquid interface during steady state solidification process

The lateral solute segregation that results from a curved solid-liquid interface shape during steady state unidirectional solidification of a binary alloy system has been studied both analytically and numerically by Coriell, Bosivert, Rehm, and Sekerka. The system under their study is a two dimensional rectangular system. However, most real growth systems are cylindrical systems. Thus, in a previous study, we have followed Coriell etc. formalism and obtained analytical results for lateral solute segregation for an azimuthal symmetric cylindrical binary melt system during steady state solidification process. The solid-liquid interface shape is expressed as a series combination of Bessel functions. In this study a computer program has been developed to simulate the lateral solute segregation.

Wang, Jai-Ching↗
NASA NTRS1998

Experiment 13: The Study of Dopant Segregation Behavior During the Growth of GaAs in Microgravity on USML-2

An investigation into the segregation behavior of selenium doped gallium arsenide (Se/GaAs) during directional solidification in the microgravity environment was conducted using the Crystal Growth Furnace (CGF) aboard the second United States Microgravity Laboratory (USML-2). Two crystals were successfully processed on USML-2, which lasted from October 20 to November 7, 1995. The first sample was processed for 67 hours, 45 minutes (MET 5/04:53:45-8/00:23:50) and included 19 hours of growth at 0.5 microns/sec which yielded 3.42 cm of sample length, and 5 hours of growth at 1.5 microns/sec which yielded 2.7 cm of sample. During the second experiment, the furnace temperature was adjusted to move the melt-solid interface position towards the hot end of the furnace. The second sample was processed for 50 hours, 10 minutes (MET 8/18:48:49-10/21:58:54) and included 11 hours of growth at 0.5 microns/sec which yielded 1.98 cm of sample, and 1 hour, 25 minutes of growth at 5.0 microns/sec which yielded 2.6 cm of sample. This sample provides an order of magnitude change in growth rate and reproduces one of the growth rates used during USML-1. In contrast to the results from USML-1, no voids were present in either crystal grown on USML-2. The absence of voids in either sample indicates that growth rate changes alone were not responsible for the formation of voids found in the crystals grown on USML-1. Sections of the ground-based and flight crystals grown on USML-2 were cut and polished. All of the interface demarcation lines expected from the current pulse interface demarcation (CPID) system have been identified. These measurements have been analyzed for interface positions, interface shapes, and growth rates. Using a newly developed technique, based on experimental and numerical results, the seeding interface reproducibility from run to run was <= 2.5 mm. The seeding interface position could be controllably moved, with respect to the furnace zones, by adjusting the control set points of the heating zones. The interface shapes flattened slightly as the interface position moved closer to the hot zone but was always an unfavorable concave into the solid shape. The growth rate was found to equal the furnace translation rate, after a 2 -hour transient, for growth rates <= 1.0 microns/sec. Segregation measurements for the ground-based crystals are indicative of complete mixing behavior, as expected. Segregation measurements of the flight crystals are still in progress.

Matthiesen, David H.↗
NASA NTRS1999

Surface Segregation in Multicomponent Systems: Modeling of Surface Alloys and Alloy Surfaces

The study of surface segregation, although of great technological importance, has been largely restricted to experimental work due to limitations associated with theoretical methods. However, recent improvements in both first-particle and semi-empirical methods are opening, the doors to an array of new possibilities for surface scientists. We apply one of these techniques, the Bozzolo, Ferrante and Smith (BFS) method for alloys, which is particularly suitable for complex systems, to several aspects of the computational modeling of surfaces and segregation, including alloy surface segregation, structure and composition of alloy surfaces, and the formation of surface alloys. We conclude with the study of complex NiAl-based binary, ternary and quaternary thin films (with Ti, Cr and Cu additions to NiAl). Differences and similarities between bulk and surface compositions are discussed, illustrated by the results of Monte Carlo simulations. For some binary and ternary cases, the theoretical predictions are compared to experimental results, highlighting the accuracy and value of this developing theoretical tool.

Bozzolo, Guillermo↗
NASA NTRS1999

Particle Segregation in Collisional Shearing Flows

The size segregation of flowing or shaken grains is a commonly observed phenomenon in industrial processes and in nature. In systems that do not involve much agitation of the grains, several mechanisms that involve gravity have been identified as leading to such segregation. In highly agitated flows, there is a mechanism independent of gravity that is available to drive separation of different grains. This is associated with spatial gradients in the energy of their velocity fluctuations. Because collisions between grains inevitably dissipate energy, collisional granular shear flows are usually of limited extent in the direction transverse to the flow. One consequence of this is that shear flows are strongly influenced by their boundaries. Because grains, on average, slip relative to boundaries, a bumpy or frictional boundary can convert slip energy into fluctuation energy. However, because each collision between a grain and the boundary dissipates fluctuation energy, there is a competition between production and dissipation. In principle, it is possible to design the geometry of the boundary - for example, the size and spacing of the bumps - so that the boundary either produces or dissipates fluctuation energy. This permits the control of the component of the spatial gradient of the fluctuation energy that is normal to the boundary. The gradients in fluctuation energy established by such boundaries may be exploited to drive the separation by size or other properties in a binary mixture of spherical grains. Microgravity makes the visual observations possible by permitting us to employ moderate rates of shear. On earth, the effects of gravity can be minimized by shearing so rapidly that the particle pressure overwhelms gravity. However, in this event, separation takes place too rapidly for visual observation, buoyancy and/or condensation associated with the centripetal acceleration must be accounted for, and the particles can be severely damaged. Because, in the absence of gravity, the only available time scale is proportional to the speed of the moving boundary, this speed can be made arbitrarily slow to permit observations and to avoid particle damage, without altering the phenomenon under study. The primary goal of this research is to carry out a physical experiment in which particle segregation is induced and maintained in a collisional flow of a binary mixture of two different types of spheres.

Jenkins, J. T.↗
NASA NTRS2003

Minimizing Segregation during the Controlled Directional Solidification of Dendric Alloys

Gravity-driven convection induced in the liquid by density gradients of temperature or composition disrupts uniform dendritic growth during controlled directional solidification and promotes severe macrosegregation. The solute-rich region about the dendrite tip appears to play a pivotal role in channel initiation. Allen and Hunt referred to this region as an "initial transient" or dynamic region constituting steep concentration gradients. Experimental investigation also point to the role the tip region plays in developing microstructure. Hellawell and co-workers showed that flow-through dendritic channels could be effectively disrupted, and segregation minimized, during the gradient freezing of bulk castings by rotating the melt through a slight angle with respect to Earth's gravity vector. Adapting this principle to controlled directional solidification, it has been shown" that segregation in dendritic alloys can be minimized, and properties improved, by processing the sample near horizontal in conjunction with a slow axial rotation of the crucible. It is postulated that the observed microstructural uniformity arises by maintaining the developing solute field about the dendrite tip. Solute rejected during vertical directional solidification will rise or sink parallel to the primary dendrite arms during axial rotation setting the stage for accumulation, instabilities, and segregation. In contrast, during horizontal growth, the rejected solute will sink or rise perpendicular to the primary dendrite. Now, in the presence of a slight axial rotation, solute that was initially sinking (or rising) will find itself above (or below) its parent dendrite, i.e., still about the tip region. The following is intended to experimentally demonstrate the viability of this concept in coordination with a model that gives predictive insight regarding solute distribution about growing dendrites. Alloys based on the lead-tin eutectic system were used in this study. The system is well characterized, the constituent metals are available in a very pure form, and the thermophysical properties are well known. During solidification of hypoeutectic alloys, e.g., 55 wt pct Pb, the primary dendrites reject the less dense tin, and for the hypereutectic alloys, e.g., 75 wt pct Sn, the primary dendrites reject denser lead. Alloys were prepared by melting appropriate amounts of lead and tin in a glass crucible after which the homogeneous liquid was sucked directly into 5-mm i.d. glass tubes. The sample tube, containing approximately 30 cm of alloy, was then mechanically driven into the directional solidification furnace assembly and positioned such that approx. 20 cm of the sample was remelted. Subsequently, directional solidification was initiated by withdrawing the sample through a water-cooled jacket at a constant growth velocity of 2 ,microns/s. After 5 to 6 cm of growth, the sample was quickly removed from the furnace and quenched in a water bath to preserve the solid-liquid interface. Samples were directionally solidified vertically upward, nearly horizontally, and some in conjunction with an applied axial rotation of the crucible. Temperature gradients at the solid-liquid interface were measured with an in-siru K-type thermocouple. Solidified samples were cut perpendicular and parallel to the growth direction and conventionally prepared for microscopic examination.

Grugel, Richard N.↗
NASA NTRS2002

The developmental segregation of posterior crista and saccular vestibular fibers in mice: a carbocyanine tracer study using confocal microscopy

The developmental segregation of gravistatic input mediated by saccular fibers and of angular acceleration input mediated by posterior crista (PC) fibers was analyzed for the first time in a developing mammal using carbocyanine dye tracing in fixed tissue. The data reveal a more extensive projection of either endorgan in 7-day-old mice (P7) than has previously been reported in adult mammals. While we confirm and extend many previous findings, we also describe a novel segregation of saccular and posterior crista fibers in the anterior half of the medial vestibular nucleus (Mv) not reported before. Our developmental analysis shows a progressive segregation of posterior crista and saccular fibers to their respective discrete projection areas between embryonic day 15 (E15) and birth (P0). Retention of overlap in young adult animals appears to reflect the early embryonic overlap found in most areas. The vestibular projection does not show a topological projection as has been described in many other sensory systems. We propose that the unique projection features of the vestibular endorgans may relate to the transformation of vestibular signals into a motor output in the three neuron reflex arc of the VOR, of which the primary vestibular projection constitutes the first leg.

NASA Discipline Developmental Biology↗
NASA NTRS2003

Heats of Segregation of BCC Binaries from Ab Initio and Quantum Approximate Calculations

We compare dilute-limit segregation energies for selected BCC transition metal binaries computed using ab initio and quantum approximate energy methods. Ab initio calculations are carried out using the CASTEP plane-wave pseudopotential computer code, while quantum approximate results are computed using the Bozzolo-Ferrante-Smith (BFS) method with the most recent parameters. Quantum approximate segregation energies are computed with and without atomistic relaxation. Results are discussed within the context of segregation models driven by strain and bond-breaking effects. We compare our results with full-potential quantum calculations and with available experimental results.

Good, Brian S.↗
NASA NTRS2004

Heats of Segregation of BCC Binaries from ab Initio and Quantum Approximate Calculations

We compare dilute-limit heats of segregation for selected BCC transition metal binaries computed using ab initio and quantum approximate energy methods. Ab initio calculations are carried out using the CASTEP plane-wave pseudopotential computer code, while quantum approximate results are computed using the Bozzolo-Ferrante-Smith (BFS) method with the most recent LMTO-based parameters. Quantum approximate segregation energies are computed with and without atomistic relaxation, while the ab initio calculations are performed without relaxation. Results are discussed within the context of a segregation model driven by strain and bond-breaking effects. We compare our results with full-potential quantum calculations and with available experimental results.

Good, Brian S.↗
NASA NTRS2006

Metal-Silicate Segregation in Asteroidal Meteorites

A fundamental process of planetary differentiation is the segregation of metal-sulfide and silicate phases, leading eventually to the formation of a metallic core. Asteroidal meteorites provide a glimpse of this process frozen in time from the early solar system. While chondrites represent starting materials, iron meteorites provide an end product where metal has been completely concentrated in a region of the parent asteroid. A complimentary end product is seen in metal-poor achondrites that have undergone significant igneous processing, such as angrites, HED's and the majority of aubrites. Metal-rich achondrites such as acapulcoite/lodranites, winonaites, ureilites, and metal-rich aubrites may represent intermediate stages in the metal segregation process. Among these, acapulcoite-lodranites and ureilites are examples of primary metal-bearing mantle restites, and therefore provide an opportunity to observe the metal segregation process that was captured in progress. In this study we use bulk trace element compositions of acapulcoites-lodranites and ureilites for this purpose.

Herrin, Jason S.↗