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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

Real-Time X-Ray Transmission Microscopy for Fundamental Studies Solidification

High resolution real-time X-ray Transmission Microscopy, XTM, has been applied to obtain information fundamental to solidification of optically opaque metallic systems. We have previously reported the measurement of solute profile in the liquid, phase growth, and detailed solid-liquid interfacial morphology of aluminum based alloys with exposure times less than 2 seconds. Recent advances in XTM furnace design have provided an increase in real-time magnification (during solidification) for the XTM from 4OX to 16OX. The increased magnification has enabled for the first time the XTM imaging of real-time growth of fibers and particles with diameters of 5 micrometers. We have applied this system to study of the kinetics of formation and morphological evolution of secondary fibers and particles in Al-Bi monotectic alloys to observe a previously unreported velocity dependent thermo-capillary depletion mechanism for Bi rich liquid which can penetrate many fiber diameters into the solid-liquid interface. In this talk we will discuss application of the XTM to the study the fundamentals of monotectic and eutectic solidification, the enhancement of XTM data with precise solid liquid interfacial temperature and thermal gradient measurement techniques, and the application of this technology to the study of the fundamentals of solidification in microgravity,

Curreri, Peter A.↗
NASA NTRS1999

Macrosegregation of GeSi Alloys Grown in a Static Magnetic Field

Axial and radial macrosegregation profiles have been determined for GeSi alloy crystals grown by the vertical Bridgman technique. An axial 5 Tesla magnetic field was applied to several samples during growth to decrease the melt velocities by means of the Lorentz force. Compositions were measured with either energy dispersive X-ray spectroscopy (EDS) on a scanning electron microscope (SEM) or by wavelength dispersive X-ray spectroscopy (WDS) on a microprobe. The crystals were processed in graphite, hot-pressed boron nitride (BN), and pyrolytic boron nitride (PBN) ampoules, which produced various solid-liquid interface shapes during solidification. Those samples grown in a graphite ampoule exhibited radial profiles consistent with a highly concave interface and axial profiles indicative of complete mixing in the melt. The samples grown in BN and PBN ampoules had less radial variation. Axial macrosegregation profiles of these samples fell between the predictions for a completely mixed melt and one where solute transport is dominated by diffusion. Possible explanations for the apparent insufficiency of the magnetic field to achieve diffusion controlled growth conditions are discussed.

Ritter, T. M.↗
NASA NTRS1998

Reduction of Defects in Germanium-Silicon

It is well established that crystals grown without contact with a container have far superior quality to otherwise similar crystals grown in direct contact with a container. In addition to float- zone processing, detached-Bridgman growth is often cited as a promising tool to improve crystal quality, without the limitations of float zoning. Detached growth has been found to occur quite often during micro-g experiments and considerable improvements of crystal quality have been reported for those cases. However, no thorough understanding of the process or quantitative assessment of the quality improvements exists so far. This project will determine the means to reproducibly grow Ge-Si alloys in the detached mode. Specific objectives include: (1) measurement of the relevant material parameters such as contact angle, growth angle, surface tension, and wetting behavior of the GeSi-melt on potential crucible materials; (2) determination of the mechanism of detached growth including the role of convection; (3) quantitative determination of the differences of defects and impurities among normal Bridgman, detached Bridgman, and Floating Zone (FZ) growth; (4) investigation of the influence of defined azimuthal or meridional flow due to rotating magnetic fields on the characteristics of detached growth; (5) control time-dependent Marangoni convection in the case of FZ-growth by the use of a rotating magnetic field to examine the influence on the curvature of the solid-liquid interface and the heat and mass transport; and (6) grow high quality GeSi-single crystals with Si-concentration up to 10 at% and diameters up to 20 mm.

Szofran, Frank R.↗
NASA NTRS1999

Crystal Growth Using MEPHISTO

The shuttle flight experiment "In Situ Monitoring of Crystal Growth Using MEPHISTO" was accomplished during STS-87 as part of the fourth flight of the United States Microgravity Payload (USMP-4), which was flown from November 19 to December 5, 1997. The data returned from that flight are just now beginning to yield quantitative results. This project is an international collaboration: the furnace system known as MEPHISTO was built in France by CNES (French National Space Agency) and CEA (French Atomic Energy Commission); the principal investigator, Prof. Reza Abbaschian, is from the University of Florida at Gainesville; and numerical and analytical modeling support includes collaborators from the University of New South Wales, Australia, the University of Wisconsin at Milwaukee, the National Institute of Standards and Technology, and the NASA Lewis Research Center. MEPHISTO is a French acronym that translates into English as Materials for the Study of Interesting Phenomena of Solidification on Earth and in Orbit. Since this was the fourth flight of the MEPHISTO furnace, the experiment is referred to as MEPHISTO-4. MEPHISTO-4 was a directional solidification experiment that studied the liquid-to-solid transformation of bismuth alloyed with tin. Directional solidification is a freezing technique common to the processing of the electronic materials used in integrated circuits and detectors, such as silicon and germanium. When liquids are frozen on Earth, they must be cooled. The cooling causes stirring because of density variations in the liquid. This stirring, known as natural convection, influences the quality of the resulting solid. During freezing, regions of high and low concentrations of tin are created. This introduces another important phenomenon: diffusion, or the movement by molecular action of matter from regions of high concentration to regions of lower concentration. In MEPHISTO-4, it is tin that diffuses from the high-concentration region in front of the solid-liquid interface to more distant low-concentration regions.

deGroh, Henry C., III↗
NASA NTRS1999

Third and Final Shuttle Mission of the Isothermal Dendritic Growth Experiment Conducted: Highest Supercooling Ever Recorded Achieved

Dendrites describe the treelike crystal morphology commonly assumed in metals and alloys that freeze from supercooled or supersaturated melts. There remains a high level of engineering interest in dendritic solidification because the size, shape, and orientation of the dendrites determine the final microstructure of a material. It is the microstructure that then determines the physical properties of cast or welded products. Although it is well known that dendritic growth is controlled by the transport of latent heat from the moving solid-liquid interface, an accurate and predictive model has not yet been developed. The effects of gravity-induced convection on the transfer of heat from the interface have prevented adequate testing, under terrestrial conditions, of solidification models. The Isothermal Dendritic Growth Experiment (IDGE) constituted a series of three microgravity experiments flown aboard the Space Shuttle Columbia. The apparatus was used to grow and record dendrite solidification in the absence of gravity-induced convective heat transfer, thereby producing a wealth of benchmark-quality data for testing solidification models and theories.

Glicksman, Martin E.↗
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 NTRS1994

Interfacial force field characterization of a constrained vapor bubble thermosyphon using IAI

The isothermal profiles of the extended meniscus in a quartz cuvette were measured in a gravitational field using IAI (image analyzing interferometer) which is based on computer enhanced video microscopy of the naturally occurring interference fringes. The experimental results for heptane and pentane menisci were analyzed using the extended Young-Laplace Equation. These isothermal results characterized the interfacial force field in-situ at the start of the heat transfer experiments by quantifying the dispersion constant for the specific liquid-solid system. The experimentally obtained values of the disjoining pressures and the dispersion constants are compared to the subsequent non-isothermal experiments because one of the major variables in the heat sink capability of the CVBT is the dispersion constant. In all previous studies of micro heat pipes the value of the dispersion constant has been 'guesstimated'. The major advantages of the current glass cell is the ability to view the extended meniscus at all times. Experimentally, we find that the extended Young-Laplace Equation is an excellent model for for the force field at the solid-liquid vapor interfaces.

Dasgupta, Sunando↗
NASA NTRS1998

Growth of Bulk Single Crystals of Dicyanovinyl-Ansiole and its Derivatives for Nonlinear Optical Applications

Bulk single crystals of a series of thermally stable nonlinear optical organic materials, Dicyanovinyl-anisole (DIVA) and their methoxy derivatives, have been successfully grown using the Bridgman-Stockbarger technique. The growth conditions are chosen to be temperature gradient of 5 to 10 C/cm and lowering rate of 0.1 to 0.3 mm/h. Single crystals of DIVA and its derivatives, of 8 x 8 x 50 cu mm in size, have been grown while maintaining a flat solid-liquid growth interface.

Gebre, T.↗
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 NTRS1998

Real-Time X-Ray Microscopy of Al-Cu Eutectic Solidification

Recent improvements in the resolution of the X-ray Transmission Microscope (XTM) for Solidification Studies provide microstructure feature detectability down to 5 micrometers during solidification. This presentation will show the recent results from observations made in real-time of the solid-liquid interfacial morphologies of the Al-CuAI2 eutectic alloy. Lamellar dimensions and spacings, transitions of morphology caused by growth rate changes, and eutectic grain structures are open to measurements. A unique vantage point viewing the face of the interface isotherm is possible for the first time with the XTM due to its infinite depth of field. A video of the solid-liquid interfaces seen in-situ and in real-time will be shown.

Kaukler, William F.↗
NASA NTRS1992

Tribology of magnetic storage systems

The construction and the materials used in different magnetic storage devices are defined. The theories of friction and adhesion, interface temperatures, wear, and solid-liquid lubrication relevant to magnetic storage systems are presented. Experimental data are presented wherever possible to support the relevant theories advanced.

Bhushan, Bharat↗
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.↗
NASA NTRS1999

The Micromechanics of the Moving Contact Line

A transient moving contact line is investigated experimentally. The dynamic interface shape between 20 and 800 microns from the contact line is compared with theory. A novel experiment is devised, in which the contact line is set into motion by electrically altering the solid-liquid surface tension gamma(sub SL). The contact line motion simulates that of spontaneous wetting along a vertical plate with a maximum capillary number Ca approx. = 4 x 10(exp -2). The images of the dynamic meniscus are analyzed as a funtion of Ca. For comparison, the steady-state hydrodynamic equation based on the creeping flow model in a wedge geometry and the three-region uniform perturbation expansion of Cox (1986) is adopted. The interface shape is well depicted by the uniform solutions for Ca <= 10(exp -3). However, for Ca > 10(exp -3), the uniform solution over-predicts the viscous bending. This over-prediction can be accounted for by modifying the slip coefficient within the intermediate solution. With this correction, the measured interface shape is seen to match the theoretical prediction for all capillary numbers. The amount of slip needed to fit the measurements does not scale with the capillary number.

Lichter, Seth↗
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↗
DOE OSTI2025

A compartmentalized model of multiphase chemical kinetics

There are significant challenges in predicting multiphase chemical kinetics due to the complex coupling of reaction and mass transport across a phase boundary (i.e., interface). Here, we describe a framework for predicting multiphase kinetics that embeds the elementary kinetic steps of reaction, solvation, and diffusion into a coarse grain spatial description of two phases. The model is constructed to bridge the short-timescale interfacial dynamics observed in molecular simulations with the longer timescales observed in kinetic experiments. A simple set of governing differential equations is derived, which, when solved numerically or analytically, yield accurate predictions of multiphase kinetics in microdroplets. Although the equations are formulated for gas-liquid reactions, the underlying conceptual framework is general and can be applied to transformations in other two-phase systems (solid-liquid, liquid-liquid, etc.).

Chemical kinetics and dynamics↗