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Results for “solid-liquid interface”

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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Cellular solidification of transparent monotectics

Understanding how liquid phase particles are engulfed or pushed during freezing of a monotectic is addressed. The additional complication is that the solid-liquid interface is nonplanar due to constitutional undercooling. Some evidence of particle pushing where the particles are the liquid phase of the montectic was already observed. Cellular freezing of the succinonitrile-glycerol system also occurred. Only a few compositions were tested at that time. The starting materials were not especially pure so that cellular interface observed was likely due to the presence of unkown impurities, the major portion of which was water. Topics addressed include: the effort of modeling the particle pushing process using the computer, establishing an apparatus for the determination of phase diagrams, and the measurement of the temperature gradients with a specimen which will solidify on the temperature gradient microscope stage.

Kaulker, W. F.↗
NASA NTRS1984

The effect of anisotropic crystal-melt surface tension on grain boundary groove morphology

The shape of a stationary solid-liquid interface in a temperature gradient near a grain boundary in a pure material is calculated for anisotropic crystal-melt surface tension and equal thermal conductivities of crystal and melt. Results are compared with those for the well-known problem of the two-dimensional equilibrium shape of a crystal. For small anisotropy, the resulting interface shapes have continuously turning tangents but differ in detail from the grain boundary groove shapes that have been calculated for isotropic surface tension. For larger anisotropy, the interface shapes have discontinuities in slope as a result of missing orientations.

Voorhees, P. W.↗
NASA NTRS1984

Solidification behavior of low and high thermal conductivity materials in a Bridgman-Stockbarger furnace

The solid-liquid interface position and the temperature gradients in both the solid and liquid at the interface have been studied in a modified Bridgman-Stockbarger crystal growth furnace. These crystal growth factors have been studied as a function of ampoule translation rate, materials properties, and the size and temperature of a small auxiliary heater placed at the edge of the furnace hot zone. It has been found that the interface position with respect to a furnace reference point is essentially constant during a run for a low thermal conductivity material whereas the interface position changes continuously during a run with high thermal conductivity material. However, the ampoule translation rate and auxiliary heater conditions produce interface position changes in both high and low thermal conductivity materials.

Ejim, T. I.↗
NASA NTRS1984

Thermal convection during Bridgman crystal growth

Numerical experiments are used to study thermally driven flows which occur during vertical Bridgman crystal growth of a single component fluid. The solid-liquid interface was specified as parabolic and flow patterns were calculated for various insulation thicknesses, Grashof, Prandtl, and Biot numbers. When the melt is on top and the gravity vector is axially downward it is shown that flow persists as long as a radial temperature gradient is present. If the interface is convex, as viewed from the liquid, a single cell is observed. A concave interface exhibits multiple counterrotating cells. The insulation thickness and Grashof, Prandtl, and Biot numbers influence the flow in a quantitative manner.

Carlson, Frederick M.↗
NASA NTRS1988

The development of two new KC-135 furnaces for studies on microgravity materials processing

Wyle Laboratories is currently designing and fabricating two KC-135 materials processing furnaces for Marshall Space Flight Center. The first of these, called the Rapid Melt/Rapid Quench (RM/RQ) Furnace, will be used to melt and resolidify Cu-, Al-, and Ni-based alloys and composites, all during the 20 to 30 seconds of low gravity (0.1 to 0.001 g) available in a single parabola of the KC-135. In addition, it will be capable of directional solidification of these alloys. The furnace can be configured for either liquid or gas quenching of the samples. The second furnace, called the Polymer Solidification Transparent (PST) Furnace, will use a wide range of sample translation rates to directionally solidify polymers and low-melting-point metals as the KC-135 flies a series of parabolic maneuvers. The use of transparent crucibles and an optics system between the hot and cold zones of the furnace will allow for high-resolution video monitoring of the solid-liquid interface during processing. It is hoped that the development of these two furnaces will lead to significant increases in understanding of interface kinetics, fluid flow, and heat transfer in materials during solidification in a low-gravity environment.

Fiske, Michael↗
NASA NTRS1988

Computer modeling of convection in the liquid metal during solidification

Numerical methods are used to study thermally/gravitationally induced convection during solidification. The primary object is aimed at understanding the flow field in the liquid metal pool due to convection. An Al-0.5Fe weight percent alloy is assumed to fill a small scale vertical rectangular enclosure model for this study. The Alternating Direction Implicit method and Successive Overrelaxation method are employed to solve these equations, which include the energy balance equation coupled with the mass and momentum equations. Both transient and steady state conditions under 1 g and low gravity (0.001 g) are investigated. The solutions for the two-dimensional isotherms and streamlines under 1 g conditions are graphically presented. The quantitative results show that the convection which occurs in the liquid metal pool is very small and is likely to have a negligible effect on the solute redistribution ahead of the solid-liquid interface.

Lott, R. L., Jr.↗
NASA NTRS1987

A fixed grid numerical methodology for phase change problems involving a moving heat source

A numerical method for solving phase change problems involving a moving heat source is presented and illustrated by a two-dimensional example. The method uses a fixed grid and does not require the implementation of the Stefan condition at the solid-liquid interface; the procedure can thus be easily implemented using existing fixed grid codes. The problem considered as an example involves natural convection flow in the molten metal during tungsten inert gas welding.

Prakash, C.↗
NASA NTRS1988

Characterization of directionally solidified lead chloride

A directionally solidified PbCl2 material was prepared and analyzed and subsequently used to grow single crystals. It was found that silicon, halogens, sulfur, magnesium, and phosphorus were the hardest impurities to remove by the single-pass directional freezing. Single crystals grown from the purified material displayed good scattering beam quality and showed no absorption peaks between 0.30 to 20 microns. Direct photographic observations of the solid-liquid interface at several G/V (denoting the temperature gradient and the translation velocity, respectively) ratio values showed that, as the G/V ratio decreased, the interface varied from a smooth convex surface to dendritic.

Singh, Narsingh Bahadur↗
NASA NTRS1986

Probes and monitors for the study of solidification of molten semiconductors

The purpose is to examine solidification in the LiCl-KCl system to determine if phenomena such as solute rejection can be obseved by laser schlieren imaging. Molten salts have attributes that make them attractive as physical models in solidification studies. With optical techniques of investigation such as schlieren imaging, it is possible to study fluid flow phenomena in molten salts and to watch the trajectory of the solid-liquid interface.

Sadoway, D. R.↗
NASA NTRS1988

Heat of mixing and morphological stability

A mathematical model, which incorporates heat of mixing in the energy balance, has been developed to analyze the morphological stability of a planar solid-liquid interface during the directional solidification of a binary alloy. It is observed that the stability behavior is almost that predicted by the analysis of Mullins and Sekerka (1963) at low growth velocities, while deviations in the critical concentration of about 20-25 percent are observed under rapid solidification conditions for certain systems. The calculations indicate that a positive heat of mixing makes the planar interface more unstable, whereas a negative heat of mixing makes it more stable, in terms of the critical concentration.

Nandapurkar, P.↗
NASA NTRS1989

Morphological transitions in the rapid solidification regime - A re-examination of the fundamental validity of the absolute stability concept of Mullins and Sekerka

The validity of the notion of absolute stability (AS) of a planar solid-liquid interface, proposed by Mullins and Sekerka (M-S, 1964), was tested using experimental data obtained for a number of dilute Ag-Cu and Sn-In alloys and for ultrahigh-purity succinonitrile. It is shown that the restriction applied by the M-S theory is satisfied during the steady-state planar solidification in an undercooled melt, provided the undercooling is quite small. The findings obtained on the Ag-Cu and Sn-In alloys are compared with early measurements by Davis and Fryzuk (1971) in dilute Sn-In alloys with 25 to 400 ppm additions of In.

Laxmanan, V.↗
NASA NTRS1974

Enzyme activity in terrestrial soil in relation to exploration of the Martian surface

Sensitive tests for the detection of extracellular enzyme activity in Martian soil was investigated using simulated Martian soil. Enzyme action at solid-liquid water interfaces and at low humidity were studied, and a kinetic scheme was devised and tested based on the growth of microorganisms and the oxidation of ammonium nitrite.

Mclaren, A. D.↗
NASA NTRS1987

Noncontact temperature pattern measuring device

This invention relates to a noncontact imagine pyrometer system for obtaining the true temperature image of a given substance in a contactless fashion without making assumptions about localized emissivity of the substance or the uniformity of the temperature distribution. Such a contactless temperature imaging system has particular application in the study and production of many materials where the physical contact required to make a conventional temperature measurement drastically effects or contaminates the physical process being observed. Two examples where accurate temperature profiles are of critical interest are: (1) the solid-liquid phase change interface in the production of electronic materials and (2) metastable materials in the undercooling region. The apparent novelty resides in the recognition that an active pyrometer system may be advantageously adapted to perform contactless temperature imaging so that an accurate temperature profile can be obtained.

Elleman, D. D.↗
NASA NTRS1972

Critical levitation loci for spheres on cryogenic fluids.

The conditions which allow a fluid to support a sphere having a higher specific gravity than its own are investigated. Three basic parameters which together define the maximum floating conditions are considered, including the Bond number, the wetting angle of the interface, and the ratio of solid-liquid specific gravities. The Bond number represents the ratio of buoyancy to surface tension forces. An analysis of the forces at the sphere-liquid interface is conducted to determine the optimum levitation loci, that is, the conditions permitting flotation of a maximum density sphere. Data for glycerine, carbon tetrachloride, and water spheres floating on a liquid nitrogen surface appear to be in good agreement with the analysis. Data for Teflon spheres on water also appear to be in agreement with the analytical results.

Hendricks, R. C.↗
DOE OSTI2026

Extending SLUSCHI for Automated Diffusion Calculations

We present an extension of the SLUSCHI package (Solid and Liquid in Ultra Small Coexistence with Hovering Interfaces) to enable automated diffusion calculations from first-principles molecular dynamics. While the original SLUSCHI workflow was designed for melting temperature estimation via solid-liquid coexistence, we adapt its input and output handling to isolate the volume search stage and generate one production trajectory suitable for diffusion analysis. Post-processing tools parse VASP outputs, compute mean-square displacements (MSD), and extract tracer diffusivities using the Einstein relation with robust error estimates through block averaging. Diagnostic plots, including MSD curves, running slopes, and velocity autocorrelations, are produced automatically to help identify diffusive regimes. The method has been validated through representative case studies: self-diffusion in Al-Cu liquid alloys, sublattice melting in Li7La3Zr2O12 and Er2O3, interstitial oxygen transport in bcc and fcc Fe, and oxygen diffusivity in Fe-O liquids with variable Si and Al contents. Viscosity and diffusivity are linked through the Stokes-Einstein relation, with composition dependence assessed via simple linear mixing. This capability broadens SLUSCHI from melting-point predictions to transport property evaluation, enabling high-throughput, fully first-principles datasets of diffusion coefficients and viscosities across metals and oxides.

36 MATERIALS SCIENCE↗
NASA NTRS1985

Modeling of convection phenomena in Bridgman-Stockbarger crystal growth

Thermal convection phenomena in a vertically oriented Bridgman-Stockbarger apparatus were modeled by computer simulations for different gravity conditions, ranging from earth conditions to extremely low gravity, approximate space conditions. The modeling results were obtained by the application of a state-of-the art, transient, multi-dimensional, completely densimetrically coupled, discrete-element computational model which was specifically developed for the simulation of flow, temperature, and species concentration conditions in two-phase (solid-liquid) systems. The computational model was applied to the simulation of the flow and the thermal conditions associated with the convection phenomena in a modified Germanium-Silicon charge enclosed in a stationary fused-silica ampoule. The results clearly indicated that the gravitational field strength influences the characteristics of the coherent vortical flow patterns, interface shape and position, maximum melt velocity, and interfacial normal temperature gradient.

Carlson, F. M.↗
DOE OSTI2025

Molecular Interlocking Multidimensional Modulations of Cathode‐Electrolyte Interface for Constructing High Energy Density Quasi‐Solid‐State Batteries

Gel polymers are regarded as a promising candidate electrolyte for lithium-metal quasi-solid-state batteries, primarily due to their high ionic conductivity and solid-liquid synergistic properties. However, challenges such as interfacial side reactions, limitations in Li + transport caused by interfacial issues, and leaching of transition metals from the cathode have yet to be effectively solved. Herein, a novel gel electrolyte modulation strategy based on electrostatic filler assembly is proposed to address the issues of ineffective capacity utilization and inadequate cycling stability of high-energy-density cathode materials in solid-state lithium-ion batteries. It constructs a 3D interpenetrating charge-bridge network that effectively tackles the phase-separation challenge between fillers and electrolytes at the molecular level. Meanwhile, the molecular interlocking structure effectively inhibits the electrolyte erosion. More critically, it optimizes and stabilizes the cathode-electrolyte interface film, which facilitates the conduction of Li + -ions through a size-sieving mechanism. Consequently, this strategy enables effective adaptation across diverse high-energy-density cathode materials with satisfactory capacity performance (170.4 mAh g −1 at 4.5 V/1 C for LiNi 0.6 Co 0.2 Mn 0.2 O 2 and 194.0 mAh g −1 at 4.3 V/1 C for LiNi 0.9 Co 0.08 Mn 0.02 O 2 ). In conclusion, this investigation offers a straightforward and effective reference for addressing the critical challenges of ionic transport and interface stabilization in the design of gel electrolytes.

cathode-electrolyte interface↗
DOE OSTI2025

Implementation and evaluation of multi-dual mode counter-current chromatography in the CUP Modeler software

Counter-current chromatography (CCC) is a separation technique that utilizes immiscible solvent pairs as stationary and mobile phases, which imparts numerous benefits compared to solid-liquid chromatography including the ability to treat either the more-dense or less-dense solvent layer as the mobile phase. Multi-dual mode (MDM) is a CCC elution mode capable of improving the separation of closely eluting compounds by alternating upper- and lower-layer solvent flows in opposing directions within the same separation. While some effort has been made to model MDM, implementation of these models in experimental design has yet to be widely adopted. Accordingly, we further developed our previously published cell utilized partitioning (CUP) model to include MDM predictions with CCC and packaged the full suite of CUP modeling capabilities into a user-friendly, open-source tool called the CUP Modeler. The mathematical model for MDM CCC was derived and validated with experimental separation of ethyl guaiacol (EG) and ethyl phenol (EP), two compounds that co-elute in our previously demonstrated reductive catalytic fractionation (RCF) lignin monomer isolation method. The developed MDM model provided insights into the effect of multiple operating parameters - including stationary phase retention, flow rate, column efficiency, feed concentration ratio, selectivity factor, and solute distribution ratios - on the separation yields, productivity, and purities. Our model agreed with prevailing understanding of MDM but also revealed new insights including that the ideal distribution ratios for co-eluting solutes to be separated by MDM is between 1.1 and 1.5, with the lower value ideally close to 1.25. Overall, this work provides fundamental insights for MDM process design and enables broader adoption of general liquid-liquid chromatography with a new, open-source user-friendly interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗