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87 records · Page 5

Silicon ribbon growth by a capillary action shaping technique

The crystal-growth method under investigation is a capillary action shaping technique. Meniscus shaping for the desired ribbon geometry occurs at the vertex of a wettable dye. As ribbon growth depletes the melt meniscus, capillary action supplies replacement material. The configuration of the technique used in our initial studies is shown. The crystal-growth method has been applied to silicon ribbons it was found that substantial improvements in ribbon surface quality could be achieved with a higher melt meniscus than that attainable with the EFG technique.

Schwuttke, G. H.↗

Modeling Marangoni Convection using a Velocity-Time Relationship

The Waste Treatment and Immobilization Plant (WTP) at the U.S. Department of Energy’s (DOE’s) Handford site is designed to treat 56 million gallons of radioactive waste through vitrification. The melting vessels physical and chemical integrity is essential to maintain, as failure has a high safety and financial penalty. Monofrax® K-3 refractory, the material widely used for the melting vessel, undergoes significant corrosion over time, concentrated at the triple-point junction between the gaseous atmosphere, refractory, and glass melt, producing a characteristic neck-like profile that significantly limits refractory service life. Accurate prediction of the corrosion within the melter can be used to prevent this and extend the lifetime of the melters. A computational fluid dynamics (CFD) model was previously developed, and predicted subsurface refractory corrosion, but failed to predict the neck-line profile observed experimentally. To address this limitation, the glass-melt meniscus geometry at the glass-refractory interface was estimated from experimentally measured neck profiles and wettability experiments. A curve was fitted to the neck profile to identify the triple point location, and the meniscus shape was characterized by a contact angle of 1°. A velocity profile accounting for Marangoni convection-driven corrosion was derived from the estimated meniscus geometry. Surface tension measurements from LORPM14R1 glasses of varying composition were coupled with K-3 coupon dissolution rates to establish a surface tension–time relationship. This analytical velocity-time model was integrated into the existing CFD framework to improve prediction of the neck corrosion profile. Work was done in a computational setting with national collaboration, resulting in professional development through presentational and technical writing growth.

36 - MATERIALS SCIENCE↗

Toward durable stacks: glass-ceramic sealants for intermediate-temperature protonic ceramic electrochemical systems

Protonic ceramic electrochemical cells (PCECs) are emerging as promising technologies for efficient energy conversion and hydrogen production because they operate at intermediate temperatures with improved efficiency and durability compared with conventional solid oxide electrochemical cells. However, the long-term reliability and commercialization of PCEC stacks remain strongly limited by the performance of sealants, which are required to maintain gas tightness, electrical insulation, and mechanical integrity under harsh thermal and chemical environments. Among various sealing approaches, glass-ceramic sealants are considered the most practical and scalable due to their excellent wettability, chemical tunability, and strong interfacial adhesion. This review provides a comprehensive overview of recent advances in glass-ceramic sealants for intermediate-temperature protonic ceramic electrochemical systems. The fundamental design principles of sealant compositions are first discussed, followed by recent developments in deposition methods, sintering strategies, surface treatments, and degradation monitoring techniques. Particular attention is given to the unique challenges associated with PCEC operating conditions, including hydrothermal degradation, interfacial reactions with barium-containing electrolytes, and thermal mismatch. Finally, future opportunities involving sustainable materials, multiscale modeling, additive manufacturing, and artificial intelligence-assisted sealant optimization are highlighted.

glass–ceramic sealants↗

Silicon ribbon growth by a capillary action shaping technique

The crystal growth method described is a capillary action shaping technique. Meniscus shaping for the desired ribbon geometry occurs at the vertex of a wettable die. As ribbon growth depletes the melt meniscus, capillary action supplies replacement material. A capillary die is so designed that the bounding edges of the die top are not parallel or concentric with the growing ribbon. The new dies allow a higher melt meniscus with concomitant improvements in surface smoothness and freedom from SiC surface particles, which can degrade perfection.

Schwuttke, G. H.↗

Melt infiltration of silicon carbide compacts. I - Study of infiltration dynamics

Countergravity, pressure-assisted infiltration with a 2014 Al alloy of suitably tamped porous compacts of platelet shaped single crystals of alpha (hexagonal) silicon carbide was used to measure particulate wettability and infiltration kinetics under dynamic conditions relevant to pressure casting of composites. A threshold pressure P(th) for ingression of the infiltrant was identified based on the experimental penetration length versus pressure profiles for a range of experimental variables which included infiltration pressure, infiltration time, SiC size and SiC surface chemistry. The results showed that P(th) decreased whereas the penetration length increased with increasing SiC size and infiltration time. Cu-coated SiC led to lower P(th) and larger penetration lengths compared to uncoated SiC under identical conditions. These observations have been discussed in the light of theoretical models of infiltration and the kinetics of wetting.

Asthana, Rajiv↗

Engineered Water for Improved Oil Recovery from Fractured Reservoirs (Final Scientific/Technical Report)

The goal of this proposal is to field test the novel technology of engineered water (modifying ionic composition and/or adding surfactants or nanoparticles) injection to improve oil recovery from the carbonate matrix in fractured reservoirs. Carbonate reservoirs tend to be oil-wet/mixed-wet due to positively charged carbonate mineral surfaces and negatively charged acidic/asphaltic components in the oil. Many carbonate reservoirs are also highly fractured. Water injection does not work efficiently in fractured oil-wet reservoirs because water does not imbibe into the matrix. The water composition can be engineered with ionic modification, surfactants and nanoparticles which can change the wettability of carbonate rocks towards more water-wet conditions which can imbibe water into the matrix and push the oil into the fractures. The engineered water can also lower interfacial tension and minimize capillary forces so that gravity can push the oil up and out of the matrix. Wettability alteration also increases water relative permeability which can also improve oil recovery in non-fractured carbonate reservoirs. This technology, if successful, can be a game changer for West Texas carbonates.

02 PETROLEUM↗

Characterization of voids formed during liquid impregnation of nonwoven multifilament glass networks as related to composite processing

A technique based on matching the refractive index of an invading liquid to that of a fiber mat was used to study entrapment of air ('voids') that occurs during forced in-plane radial flow into nonwoven multifilament glass networks. The usefulness of this technique is demonstrated in quantifying and mapping the air pockets. Experiments with a series of fluids with surface tensions varying from 28 x 10(exp -3) to 36 x 10(exp -3) N/m, viscosities from 45 x 10(exp -3) to 290 x 10(exp -3) Pa.s, and inlet flow rates from 0.15 x 10(exp -6) to 0.75 x 10(exp -6) m(exp 3)/s, showed that void content is a function of the capillary number characterizing the flow process. A critical value of capillary number, Ca = 2.5 x 10(exp -3), identifies a zone below which void content increases exponentially with decreasing capillary number. Above this critical value, negligible entrapment of voids is observed. Similar experiments carried out on surface treated nonwoven mats spanning a range of equilibrium contact angles from 20 deg to 78 deg showed that there is a critical contact angle above which negligible entrapment is observed. Below this value, there is no apparent effect of contact angle on the void fraction - capillary number relationship described earlier. Studies on the effect of filament wettability, and fluid velocity and viscosity on the size of the entrapment (voids) were also carried out. These indicate that larger sized entrapments which envelop more than one pore are favored by a low capillary number in comparison to smaller, pore level bubbles. Experiments were carried out on deformed mats - imposing high permeability spots at regular intervals on a background of low permeability. The effect of these spatial fluctuations in heterogeneity of the mat on entrapment is currently being studied.

Mahale, Anant D.↗

Atomic- and Molecular-Scale Interphase Engineering for High-Performance Solid-State Batteries

Solid-state batteries (SSBs) promise a decisive advance beyond conventional Li-ion systems, yet their development remains constrained by persistent solid–solid interfacial instabilities that degrade performance and durability. Interfaces between solid electrolytes and both cathodes and Li metal often exhibit poor wettability, limited physical contact, and high charge–transfer resistance, leading to chemical decomposition, mechanical failure, and impedance growth. Overcoming these limitations requires interphase engineering with atomic-scale precision—capabilities that conventional coating methods cannot reliably deliver. Atomic layer deposition (ALD) and molecular layer deposition (MLD) uniquely meet this need by enabling ultrathin, conformal, and composition-tunable films that stabilize reactive surfaces, suppress parasitic reactions, and regulate Li-metal morphology. Importantly, this Perspective highlights ALD/MLD systems that have already demonstrated effectiveness in liquid-electrolyte cells and discusses how these validated strategies can be deliberately translated to solid-state architectures. By grounding future directions in experimentally proven concepts rather than speculative hypotheses, we outline how atomic- and molecular-scale design principles can accelerate the development of robust, high-performance SSB technologies.

atomic and molecular layer deposition↗

Optical Spectroscopy of Venus Aerosol Analogs and Substrate Survivability

Aerosol Rapid Analysis Combined Entry Probe/Sonde Technology (AERACEPT) is a dual descent probe and in-situ sampler of cloud and aerosol particles, used as part of the Nephele mission concept to study Venus cloud layers. Various optical spectroscopic characterization methods, including Raman spectroscopy and Surface Enhanced Raman Spectroscopy (SERS), Laser induced Breakdown Spectroscopy (LIBS), and absorbance and fluorescence spectroscopy are being assessed for viability for compatibility with AERACEPT. Specifically, the detection limits, sensitivity, specificity, and analysis cadence of these techniques for a set of Venus aerosol analogs and their mixtures are tested. We report on preliminary optical spectroscopy results of the Venus aerosol analogs, as well as optical substrate survivability in heated and acidic conditions, substrate physical robustness, and analyte wettability on substrates.

Venus↗

Evaluating the Structural Response of Amphiphilic Monolayers to Environmental Stimuli

Amphiphilic monolayers composed of end groups with distinct polar and nonpolar functional groups offer rapid and reversible interfacial adaptation in response to environmental stimuli such as a change in interfacial medium polarity. We have synthesized and characterized a suite of monolayers with functional groups of competing polarity designed to reconfigure their interfacial chemical composition in response to solvent polarity. In these films, the end group is designed to be able to reorient and expose the functional groups that minimize the interfacial free energy between the film and the environment. Using a combination of spectroscopic, computational, and wettability studies, we have investigated the responsive interfacial behavior of different end groups upon exposure to environments with varying polarities. Contact angle measurements across a series of polar and dispersive probe liquids reveal trends that reflect the underlying molecular flexibility and composition. Vibrational sum frequency generation (SFG) spectroscopy and atomistic molecular dynamics (MD) simulations confirm solvent-driven reorientation of the end groups, with restructuring observed at the interface. To quantify these effects, we have developed a surface energy calculation model that incorporates solvent-induced surface rearrangements into the estimations. Our findings reveal a strong dependence of surface energy and switching behavior on the length and flexibility of the functionalities in the end group, which affects the exposure of certain interfacial compositions under different solvents. These results offer new insights into the design of adaptive monolayers and provide a framework for evaluating solvent-responsive surfaces.

functional groups↗

Carbide coated fibers in graphite-aluminum composites

The study of protective-coupling layers of refractory metal carbides on the graphite fibers prior to their incorporation into composites is presented. Such layers should be directly wettable by liquid aluminum and should act as diffusion barriers to prevent the formation of aluminum carbide. Chemical vapor deposition was used to uniformly deposit thin, smooth, continuous coats of ZrC on the carbon fibers of tows derived from both rayon and polyacrylonitrile. A wet chemical coating of the fibers, followed by high-temperature treatment, was used, and showed promise as an alternative coating method. Experiments were performed to demonstrate the ability of aluminum alloys to wet carbide surfaces. Titanium carbide, zirconium carbide and carbide-coated graphite surfaces were successfully wetted. Results indicate that initial attempts to wet surfaces of ZrC-coated carbon fibers appear successful.

Imprescia, R. J.↗

A multiscale model to understand the interface chemistry, contacts, and dynamics during lithium stripping

A reversible Li-metal electrode, paired with a solid electrolyte, is critical for attaining higher energy density and safer batteries beyond the current lithium-ion cells. A stable stripping process may be even harder to attain as the stripping process will remove Li-atoms from the surface, and naturally reduce surface contact area, if not self-corrected by other mechanisms, such as diffusion and plastic deformation under an applied external stack pressure. Here, we capture these mechanisms occurring at multiple length- and time- scales, i.e., interface interactions, vacancy hopping, and plastic deformation, by integrating density functional theory (DFT) simulations, kinetic Monte Carlo (KMC), and continuum finite element method (FEM). By assuming the self-affine nature of multiscale contacts, we predict the steady-state contact area as a function of stripping current density, interface wettability, and stack pressure. We further estimate the exponential increase of overpotential due to contact area loss to maintain the same stripping current density. We demonstrate that a lithiophilic interface requires less stack pressure to reach the same steady-state contact area fraction than a lithiophobic interface. A “tolerable steady-state” contact area loss for maintaining stable stripping is estimated at 20 %, corresponding to a 10 % increase in overpotential. To constrain contact loss within the tolerance, the required stack pressure is 0.1, 0.5, and 2 times the yield strength of lithium metal for three distinct interfaces, lithiophilic Li/lithium oxide(Li2O), Li/lithium lanthanum zirconium oxide(LLZO), and lithiophoblic Li/lithium fluoride(LiF), respectively. The modeling results agree with experiments on the impact of the stack pressure quantitatively, while the discrepancy in stripping rate sensitivity is attributed to the simplifying interface interaction in our simulations. Overall, this multiscale simulation framework demonstrates the importance of electrochemical-mechanical coupling in understanding the dynamics of the Li/SE interface during stripping.

Feng, Min↗

Capillary Driven Flows Along Differentially Wetted Interior Corners

Closed-form analytic solutions useful for the design of capillary flows in a variety of containers possessing interior corners were recently collected and reviewed. Low-g drop tower and aircraft experiments performed at NASA to date show excellent agreement between theory and experiment for perfectly wetting fluids. The analytical expressions are general in terms of contact angle, but do not account for variations in contact angle between the various surfaces within the system. Such conditions may be desirable for capillary containment or to compute the behavior of capillary corner flows in containers consisting of different materials with widely varying wetting characteristics. A simple coordinate rotation is employed to recast the governing system of equations for flows in containers with interior corners with differing contact angles on the faces of the corner. The result is that a large number of capillary driven corner flows may be predicted with only slightly modified geometric functions dependent on corner angle and the two (or more) contact angles of the system. A numerical solution is employed to verify the new problem formulation. The benchmarked computations support the use of the existing theoretical approach to geometries with variable wettability. Simple experiments to confirm the theoretical findings are recommended. Favorable agreement between such experiments and the present theory may argue well for the extension of the analytic results to predict fluid performance in future large length scale capillary fluid systems for spacecraft as well as for small scale capillary systems on Earth.

Golliher, Eric L.↗

Advanced Flip Chips in Extreme Temperature Environments

The use of underfill materials is necessary with flip-chip interconnect technology to redistribute stresses due to mismatching coefficients of thermal expansion (CTEs) between dissimilar materials in the overall assembly. Underfills are formulated using organic polymers and possibly inorganic filler materials. There are a few ways to apply the underfills with flip-chip technology. Traditional capillary-flow underfill materials now possess high flow speed and reduced time to cure, but they still require additional processing steps beyond the typical surface-mount technology (SMT) assembly process. Studies were conducted using underfills in a temperature range of -190 to 85 C, which resulted in an increase of reliability by one to two orders of magnitude. Thermal shock of the flip-chip test articles was designed to induce failures at the interconnect sites (-40 to 100 C). The study on the reliability of flip chips using underfills in the extreme temperature region is of significant value for space applications. This technology is considered as an enabling technology for future space missions. Flip-chip interconnect technology is an advanced electrical interconnection approach where the silicon die or chip is electrically connected, face down, to the substrate by reflowing solder bumps on area-array metallized terminals on the die to matching footprints of solder-wettable pads on the chosen substrate. This advanced flip-chip interconnect technology will significantly improve the performance of high-speed systems, productivity enhancement over manual wire bonding, self-alignment during die joining, low lead inductances, and reduced need for attachment of precious metals. The use of commercially developed no-flow fluxing underfills provides a means of reducing the processing steps employed in the traditional capillary flow methods to enhance SMT compatibility. Reliability of flip chips may be significantly increased by matching/tailoring the CTEs of the substrate material and the silicon die or chip, and also the underfill materials. Advanced packaging interconnects technology such as flip-chip interconnect test boards have been subjected to various extreme temperature ranges that cover military specifications and extreme Mars and asteroid environments. The eventual goal of each process step and the entire process is to produce components with 100 percent interconnect and satisfy the reliability requirements. Underfill materials, in general, may possibly meet demanding end use requirements such as low warpage, low stress, fine pitch, high reliability, and high adhesion.

Ramesham, Rajeshuni↗

An integrated approach to derive relative permeability from capillary pressure

Surface tension affects all aspects of fluid flow in porous media. Through measurements of surface tension interaction under multiphase conditions, a relative permeability curve can be determined. Relative permeability is a numerical description of the interaction between two or more fluids and the porous media. It is a critical parameter for various tools that characterize subsurface multiphase flow systems, such as numerical simulation for carbon sequestration, oil and gas development, and groundwater contamination remediation. Therefore, it is critical to get a good statistical distribution of relative permeability in the porous media under study. Empirical formula for determining relative permeability from capillary pressure are already well established but do not provide the needed flexibility that is required to match laboratory-derived relative permeability curves. By expanding the existing methods for calculating relative permeability from capillary pressure data, it is possible to create both two and three-phase relative permeability curves. Mercury intrusion capillary pressure (MICP) data from the Morrow 'B' Sandstone coupled with interfacial tension and contact angle measurements were used to create a suite of relative permeability curves. Furthermore, these curves were then calibrated to a small sample of existing laboratory curves to elucidate common fitting parameters for the formation that were then used to create relative permeability curves from MICP data that does not have an associated laboratory-measured relative permeability curve.

58 GEOSCIENCES↗