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Results for “liquid–solid interfaces”

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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

Dendritic growth of undercooled nickel-tin. III

The paper is concerned with structures and microsegregations in undercooled droplets of Ni-25 wt pct Sn and eutectic Ni-32.5 wt pct Sn alloys. An analysis of experimental results suggests that all samples solidify dendritically and that the final structures are largely the result of ripening. Experimental data on minimum solute composition in the samples produced are bounded by two curves both of which assume equilibrium at all liquid-solid interfaces during recalescence and subsequent cooling. The eutectic alloy samples often show a dendritic structure over the surface in areas where shrinkage is present. This structure appears to be the remnant of an original growth structure in which only limited ripening occurred, due to the rapid removal of interdendritic liquid by shrinkage.

Wu, Y.↗
NASA NTRS1988

Effect of melt spinning on grain size and texture in Ni-Mo alloys

Chill-block melt-spun ribbons of Ni-Mo alloys with Mo contents of 8 to 41.8 wt pct have been examined for microstructure and texture dependence on processing conditions. Linear features observed in grains solidified with a planar liquid-solid interface at the quench side of the ribbons have been identified to be due to the twins on the (111)gamma plane formed during solidification. Grain size variation with the wheel surface speed and the alloy composition has been studied. The crystallographic texture on the quench side and the free surface side of the ribbons has been investigated.

Tewari, S. N.↗
NASA NTRS1988

Microsegregation in directionally solidified Pb-8.4 at. pct Au alloy

The dependence of microsegregation behavior on growth rate and thermal gradient has been examined in a Pb-8.4 at. pct Au alloy material partially directionally solidified and quenched. The composition of the quenched 'liquid' at the dendrite tip (Ct), that of the eutectic-like solid phase freezing from the interdendritic liquid at the base of dendrite (Cse), the volume fraction of this eutectic-like region (fe), and solute profiles in the interdendritic quenched liquid and ahead of the dendrite have been measured. Two dendritic growth models for solidification of a binary alloy melt in a positive thermal gradient at the liquid-solid interface, one for dendrites with 'minimum undercooled dendrite tip' and the other for an Ivantsov type of dendrite with 'marginally stable tip', have been examined for a quantitative comparison with measured values of Ct, Cse, and fe. Convection in the melt, possibly due to horizontal density gradients, is found to be a serious limitation for theoretical understanding of the observed experimental behavior and meaningful comparison of theories.

Tewari, S. N.↗
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.↗
DOE OSTI2025

Incorporating the molecular-scale into a hydrodynamic description of confined aqueous systems

Hydrodynamics provides a continuum-level description of fluid motion, but its applicability at the nanoscale becomes uncertain due to the emerging importance of molecular-level effects such as spatial heterogeneity. Hydrodynamic boundary conditions that incorporate molecular details allow us to partition the system into a near-wall region and a bulk fluid region. We identify a hydrodynamic wall located inside the fluid that determines where slip begins. By extending the hydrodynamic wall with the slip length, the position of the extrapolated wall is established. This offers a unified description of both slip and stagnant flow behaviors, with wall hydrophobicity characterized by the relative location of the extrapolated wall with respect to the physical wall. Employing this concept in analyses of equilibrium molecular dynamics (MD) and non-equilibrium MD simulations of Couette and Poiseuille flows, our results demonstrate consistency between equilibrium and non-equilibrium approaches across different flow types and confinement levels. This demonstrates the robust nature of linear response theory. We then explore the effects of fluid-wall and bulk fluid interactions on the hydrodynamic properties. These findings enhance the effectiveness of molecular-based simulations for investigating complex confined systems in nanofluidics, biology, and colloidal science, offering a complementary molecular-scale perspective to traditional continuum approaches.

flow simulations↗
DOE OSTI2025

Structure, dynamics, and electrochemistry of choline chloride/ethylene glycol eutectic solvents at an electrode surface explored by molecular dynamics simulations

Choline chloride and ethylene glycol mixtures with 1:2, 1:4, and 1:6 molar ratios on the surfaces of graphite and gold electrodes were studied using classical molecular dynamics simulations. Both neutral and charged electrodes were considered. The liquid composition, solvation structure, molecular orientation, and dynamics at the electrode surface are significantly different from those of the bulk liquid. These properties strongly depend on the electrode material and charge density, whereas they are less sensitive to the overall solvent composition. The effect of the electrode on the composition, structure, and orientation of the liquid fades beyond ∼10 Å from the surface of the electrode. This distance corresponds to about two layers of the structured solvent, despite the fact that the layered structure extends to at least five layers or about 25 Å. However, the electrode influences solvent dynamics over a longer distance. The electrochemical properties of the eutectic solvent at both electrode surfaces were also studied. The simulations captured the experimental differential capacitance shapes for both electrode systems, although the magnitudes and exact shapes differ. The simulations further revealed that the solvent in the first solvation layer can both overscreen and underscreen the electrode charges depending on the electrode material and electrode potential.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1966

Liquid MHD power conversion

Liquid-metal magnetohydrodynamic power conversion system without rotating parts

MAGNETOHYDRODYNAMIC GENERATOR↗
NASA NTRS1987

Thermal evolution of a differentiated Ganymede and implications for surface features

Thermodynamic models are developed for the processes which controlled the evolution of the surface Ganymede, an icy Jovian satellite assumed to have a rock-rich core surrounded by a water-ice mantle. Account is taken of a heat pulse which would have arisen from a Rayleigh-Taylor instability at a deep-seated liquid-solid water interface, rapid fracturing from global stresses imposed by warm ice diapiric upwelling, impacts by large meteorites, and resurfacing by ice flows (rather than core formation). Comparisons are made with existing models for the evolution of Callisto, and the difficulties in defining a mechanism which produced the groove terrain of Ganymede are discussed.

Kirk, R. L.↗
DOE OSTI2026

Spectral Similarity Masks Structural Diversity at Hydrophobic Water Interfaces

The air-water and graphene-water interfaces represent quintessential examples of the liquid-gas and liquid-solid boundaries, respectively. While the sum-frequency generation (SFG) spectra of these interfaces show similarities, a consensus on their signals and interpretations has yet to be reached. Leveraging deep learning, we computed first-principles SFG spectra for both systems, addressing experimental discrepancies. Here, our findings reveal that similarities in SFG signals do not translate into comparable interfacial microscopic properties. Instead, graphene-water and air-water interfaces exhibit fundamental differences in SFG-active thicknesses, hydrogen-bonding networks, and surface dynamics. These distinctions underscore roughness suppression and electronic interactions present at the solid-liquid interface but absent at the gas-liquid interface.

Wang, Yong [Princeton Univ., NJ (United States)] (↗
NASA NTRS1988

Planetary environments and the conditions of life

Geophysical models of the first 600 Ma ofthe earth's history following accretion and core formation point to a period of great environmental disequilibrium. In such an environment, the passage of energy from the earth's interior and from the sun through gas-liquid-solid domains and their boundaries with each other generated a dynamically interacting, complex hierarchy of self-organized structures ranging from bubbles at the sea-air interface to tectonic plates. The ability of a planet to produce such a hierarchy is speculated to be a prerequisite to the origin and sustenance of life. The application of this criterion to Mars argues against the origin of Martian life.

Chang, S.↗
DOE OSTI2026

Cathode-Confined Polysulfide Retention-Release Reprograms Li 2 S Deposition in High-Loading Li–S Batteries

High-loading lithium-sulfur (Li-S) cells operated with lean electrolyte are limited by polysulfide crossover to Li metal and by transport-limited liquid-solid conversion that forms passivating Li 2 S films. Here, we show that a cathode-facing separator coating of carboxylated multiwalled carbon nanotubes acts as a cathode-confined polysulfide reservoir with intermediate binding. Early in discharge it captures newly generated polysulfides at the separator interface, suppressing shuttle reactions. As polysulfides are consumed, the reservoir buffers concentration gradients and feeds reactants back to the cathode, shifting Li 2 S deposition from burst-like film growth to progressive, three-dimensional, porous formation. Synchrotron XRD and S K-edge XANES, together with Scharifker–Hills nucleation analysis and depth-of-discharge EIS/DRT, substantiate this coupled transport–reaction control. With 4.3 mg S cm -2 and E/S = 5, cells reach 4.2 mAh cm -2 and retain 90% capacity over 100 cycles at 20 °C.

25 ENERGY STORAGE↗
NASA NTRS1982

Terrestrial growth of lead-tin-telluride by techniques related to low G growth

A modified Bridgman-Stockbarger furnace was constructed for a study of the solidification of silver, germanium and lead-tin-telluride. The melt-solid interface position with respect to the furnace and its temperature profile was determined by measuring the discontinuity in the slope of temperature as a function of position in the melt and in the solid. The results show that the interface position of the semiconductors germanium and lead-tin-telluride was essentially constant with respect to the furnace and hence the growth rate was constant and equal to the sample translation rate of 0.046 cm/min and 0.178 cm/min in each case. The metal, silver, on the other hand showed a continuous interface migration toward the hot zone of the furnace and always exhibited a growth rate which was higher than the ampoule translation rate. The K sub L/K sub S ratio of lead-tin-telluride was determined to be 2.33 + or - 0.06 where K sub L,S denotes the thermal conductivity of the liquid, solid respectively. The value of K sub L was calculated to be about 0.054 Watt 0.1 cm 0.1 K. The diffusion boundary layer thickness was calculated for lead-tin-telluride to be about 0.05 cm using a liquid diffusivity of .00007 sq cm/sec.

Jesser, W. A.↗
DOE OSTI2025

Molecular Structure and Thermodynamics of CO 2 and Water Adsorption on Mica

The adsorption of CO 2 and water on clay surfaces plays a key role in applications, such as gas storage in saline aquifers and depleted hydrocarbon reservoirs, but is not yet fully understood. Here, we study the adsorption of CO 2 and water vapor using Grand Canonical Monte Carlo and molecular dynamics simulations. At a bulk pressure of 100 bar, pure CO 2 adsorbs strongly on mica and forms extensive layers next to it. CO 2 adsorption is lowered substantially if introducing water vapor above mica and is largely eliminated when the relative humidity (RH) approaches about 60%. When pure water vapor is introduced above a mica surface, a subnanometer thick liquid water film develops on it to form apparent liquid–solid and liquid–vapor interfaces simultaneously. Using the identification of truly interfacial molecules (ITIM) analysis, we delineate how individual water layers develop in this film as RH increases. We highlight that the water film is spatially heterogeneous and the true liquid–vapor interface emerges only at an RH of 60–80%. Introducing 100 bar of CO 2 into the water vapor above the mica surface modulates water adsorption nonlinearly: at RH = 0.01%, the water adsorption is reduced by ∼30%; as RH increases, the reduction is weakened, and eventually, enhancement of water adsorption by about 7% occurs at RH = 90%. These variations are attributed to the interplay of film thinning by high-pressure CO 2 , competition of mica surface sites by CO 2 molecules, and energetic and entropic stabilization of interfacial water by CO 2 molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗