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Results for “Interfacial stability”

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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

In Situ Monitoring of Crystal Growth Using MEPHISTO, Mission STS 87-Program USMP-4: Experimental Analysis

This report summarizes the results of the In situ Monitoring of Crystal Growth Using MEPHISTO (Material por l'Etude des Phenomenes Interessant de la Solidification sur Terre et en Orbite) experiment on USMP-4. The report includes microstructural and compositional data obtained during the first year of the post flight analysis, as well as numerical simulation of the flight experiment. Additional analyses are being continued and will be reported in the near future. The experiments utilized MEPHISTO hardware to study the solidification and melting behavior of bismuth alloyed with 1 at% tin. The experiments involved repeated melting and solidification of three samples, each approximately 90 cm long and 6mm in diameter. Half of each sample also included a 2 mm. diameter growth capillary, to assist in the formation of single grain inside. One sample provided the Seebeck voltage generated during melting and freezing processes. Another one provided temperature data and Peltier pulsed demarcation of the interface shape for post flight analysis. The third sample provided resistance and velocity measurements, as well as additional thermal data. The third sample was also quenched at the end of the mission to preserve the interface composition for post flight determination. A total of more than 45cm of directionally solidified alloy were directionally solidified at the end of the flight for post mission structural and compositional characterization. Metallurgical analysis of the samples has shown that the interfacial kinetics play a key role in controlling the morphological stability of faceted alloys. Substantial differences were observed in the Seebeck signal between the ground-based experiments and the space-based experiments. The temperature gradient in the liquid for the ground-based experiments was also significantly lower than the temperature gradient in the liquid for the space-based experiments. Both of these observations indicate significant influence of liquid convection for the ground-based experiments.

Abbaschian, Reza↗
NASA NTRS2007

Effects of Rhenium Addition on the Temporal Evolution of the Nanostructure and Chemistry of a Model Ni-Cr-Al Superalloy: Analysis of the Coarsening Behavior - 2

The temporal evolution of the nanostructure and chemistry of a model Ni-8.5 at.% Cr-10 at.% Al alloy with the addition of 2 at.% Re was studied using transmission electron microscopy and atom-probe tomography in order to measure the number density and mean radius of the y' (LIZ) precipitates and the chemistry of the y'-precipitates and the y (fcc)-matrix. In this article, the coarsening behavior of the y'-precipitates is discussed in detail and compared with the Umantsev-Olson model for multi-component alloys. In addition, the experimental results are evaluated with PrecipiCalc(TradeMark) simulations. The results show that the diffusivities of the solute elements play a major role in the coarsening behavior of the y'-precipitates and that the addition of Re retards the coarsening kinetics and stabilizes the spheroidal morphology of the precipitates by reducing the interfacial energy.

Yoon, Kevin E.↗
DOE OSTI2025

Modulating physicochemical interfaces enables li-rich oxides based ceramic solid-state li batteries under ambient conditions

Li-rich layered oxides exhibit promising potential applications in high-energy-density solid-state lithium metal batteries. Nevertheless, the strong oxidative oxygen species generate at high voltage, which poses great challenges to positive electrode-side interface stability. Herein, a robust in-situ polymerization gel polymer electrolyte with bifunctional additives is designed for interface modification. These additives, include lithium difluoro(oxalate) borate and LiPO 2 F 2 , regulate the Li + chemical environment in gel polymer electrolyte to enhance crosslink density without residual oligomer, which reduce gas generation and suppress contact loss, thus avoiding interfacial impedance divergence. Concurrently, the designed gel polymer electrolyte enables a wide electrochemical stability window (up to 4.7 V) and a high Li + transference number (0.82). Additionally, the additives induced F- and B-rich inorganic cathode-electrolyte interphase inhibits side reactions and oxygen/transition metal loss effectively, stabilizing the chemical interface. The as-constructed Li-rich layered oxides-based ceramic solid-state lithium metal batteries with gel polymer electrolyte interface modification exert a high discharge capacity of 276.5 mAh g -1 at 30 °C without external pressure, delivering a retention of 81.7% after 100 cycles at 25 mA g -1 during 2.0-4.7 V. This work provides a guideline for developing high-voltage solid-state lithium metal batteries via interfacial design.

Hu, Xinchao [Xiamen University (China)]↗
DOE OSTI2026

Plasticizer-Free Gradient-Crosslinked Polyurethane Electrolyte for Room-Temperature Solid-State Lithium Batteries

Polymer-based solid-state electrolytes are promising for next-generation lithium metal batteries, yet their limited ionic conductivity and mechanical stability at ambient conditions remain key challenges. Herein, we report a novel gradient crosslinked polymer electrolyte (PU/PUA/PU) synthesized via a sequential in situ UV-curing process that integrates a mechanically robust polyurethane acrylate (PUA) core with soft linear polyurethane (PU) interfaces. This all-solid membrane operates without any liquid plasticizer and the interfacial PU layers ensure low interfacial resistance and intimate electrode contact, while the PUA core provides enhanced dimensional stability and dendrite suppression. As a result, the gradient electrolyte delivers an impressive ∼2.6 × 10 −4 S cm −1 ionic conductivity at 25 °C (two orders of magnitude higher than conventional PEO) and remains electrochemically stable >5 V (vs Li + /Li). Structural analysis confirms the formation of a well-defined crosslinked network with suppressed crystallinity and expanded interchain spacing. Electrochemical impedance spectroscopy (EIS) and linear sweep voltammetry (LSV) further validate these properties. When applied in a Li||NMC811 cell, the PU/PUA/PU electrolyte delivers stable cycling with high capacity at both 60 °C and 25 °C, demonstrating its potential for room-temperature solid-state battery applications without reliance on plasticizers or heating. In conclusion, this gradient design offers a practical path toward ambient-condition operation of solid-state lithium batteries, providing a paradigm for overcoming the traditional trade-off between ionic conductivity and mechanical robustness.

25 ENERGY STORAGE↗
DOE OSTI2020

Experimental methodology and theoretical framework in describing constrained plastic flow of FCC microscale tensile specimens

Small scale mechanical testing (SSMT) allows for the quantification of the mechanical responses for microscale and nanoscale material volumes. It has significant potential in improving our fundamental understanding of plastic deformation and in providing an engineering solution for testing complex and/or critical materials. Importantly, previous studies have revealed that plastic intermittency, manifested as strain bursts, are characteristic of the plastic flow behavior at the small length scale. In this work, interfacial constraint has been utilized to suppress strain bursts in order to stabilize plasticity. A new parameter, blocked volume ratio (BVR), is introduced to quantify the degree of constraint for a microscale specimen due to an interface. Here, we showed that the plastic flow behavior in FCC Ni-based metals is highly dependent on the BVR of the specimen.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Improving Ionic Conformality Across Polymer Electrolyte|Electrode Interfaces

Maintaining uniform ionic transport at electrode|electrolyte interfaces, i.e., ionic conformality, remains challenging in polymer electrolyte (PE)-based solid-state batteries. Morphological conformality does not necessarily imply ionic conformality. In PEs, which typically consist of a mechanically supporting component and distinct ionically conductive components, the rearrangement or depletion of mobile ion-conductive domains at interfaces can disrupt ionic transport pathways. Such localized ionic depletion contributes to interfacial instability and capacity degradation in high-voltage lithium-metal batteries. Herein, an electrolyte design approach aimed at minimizing interfacial heterogeneities is demonstrated through compositional adjustments, characterized by spatially resolved structural and chemical X-ray techniques and NMR diffusometry to elucidate ion transport dynamics. This approach improves ionic conformality at electrode interfaces, enhancing cycling stability in Li||LiNi 0.8 Co 0.1 Mn 0.1 O 2 (NMC811) coin and pouch cells cycled at high voltages. These results contribute to understanding interfacial behaviors in multiphase PEs and inform strategies for improving stability across solid-state battery interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Constitutional under-potential plating (CUP) – New insights for predicting the morphological stability of deposited lithium anodes in lithium metal batteries

Lithium (Li) cycling in lithium metal batteries (LMBs) inevitably witnesses a non-planar Li/electrolyte interface (cellular/dendritic microstructure) affecting the performance, safety and reliability of LMBs. Herein, the “constitutional under-potential plating” (CUP) concept is presented for the first time to understand the evolution, formation and predict the morphological stability/instability of the Li/electrolyte interface. Here, the CUP condition, a measure of the driving force for interface perturbation, occurs when the true potential gradient at the interface is smaller than the equilibrium electrodeposition potential gradient at the Li/electrolyte interface resulting in the electrolyte ahead of the Li-electrolyte interface to be in an under-potential state. Detailed CUP criterion calculations conducted herein establishes the relationship of battery operating conditions (e.g. current density, potential gradient) with the electrolyte properties (e.g. Li-ion transference number and diffusion coefficient) predicting the morphological stability condition at the interface. In addition to the driving force for interface perturbation, the capillarity effect or the Gibbs Thomson effect, a measure of the resistance to perturbation of the perturbed interface is discussed for understanding the influence of interfacial energy/adhesion energy between the current collector and the deposited Li on the overall morphological stability of the Li/electrolyte interface, a critical criterion for the unwanted dendritic morphology.

25 ENERGY STORAGE↗
DOE OSTI2020

Perspective—Enhancing Active Anode Material Performance for Lithium-Ion Batteries via Manipulation of Interfacial Chemistry

Over the past decade, conversion-type anodes have been viewed as an attractive frontrunner for use in the next-generation of high-capacity battery materials. However, many technological limitations exist in the stability and long-term reliability of these anodes for the commercialization of these electrodes. This perspective studies how interfacial interactions between different components of the electrode can help elucidate the key physical and chemical properties needed for the development of high-capacity materials for battery applications.

25 ENERGY STORAGE↗
DOE OSTI2020

A Cast Net Thrown onto an Interface: Wrapping 3D Objects with an Interfacially Jammed Amphiphilic Sheet

Wrapping a 3D object with a 2D sheet is not uncommon, but the wrapping behavior becomes complex and interesting when the sheet is bestowed with strong interfacial activities. Amphiphilic lignin macromolecules, isolated from biomass, form a scalable thin surfactant sheet at an oil/water interface through the interfacial jamming process. The process marks three distinct stages of interfacial behavior: a) diffusive assembly, b) viscous assembly with retarded mobility, and c) flexible yet irreversibly jammed rigid sheets. The surfactant sheet wraps, traps, and promptly stabilizes both oil and water droplets in nonequilibrium morphologies upon environmental stimulus. Finally, beyond preserving exotic morphologies, the highly interfacially active surfactant sheet also participates in morphology evolution by creating a vanishing interfacial tension and driving interfacial instability around the wrapped content, leading to novel morphologies as well as many potential applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Unraveling the hysteretic behavior at double cations-double halides perovskite - electrode interfaces

Despite over a decade of research on metal halide perovskites (MHPs) in the context of photovoltaic applications, understanding the nature of electronic and ionic processes associated with current-voltage (I-V) hysteretic behavior has been limited. Here, we explore the hysteretic behavior in (FAPbI 3 ) 0.85 (MAPbBr 3 ) 0.15 perovskite devices with lateral Cr electrodes by applying first order reversal curve (FORC) bias waveform in I-V, Kelvin probe force microscopy (KPFM) measurements, and in-situ chemical imaging by time-resolved time-of-flight secondary ion mass spectrometry (tr-ToF-SIMS). In dark, we reveal pronounced hysteretic behaviors of charge dynamics in the off-field by probing time-dependent current and contact potential difference (CPD). Under illumination, transient and hysteretic behaviors are significantly reduced. The tr-ToF-SIMS results reveal that the hysteretic behaviors are strongly associated with accumulation of Br- ions at the interfaces. In addition, the low mobility MA + ions result in transient behavior and contribute to the hysteretic phenomena. It was shown that Pb 2+ ions can be reduced at the interfaces due to electrochemical reactions with the electrode in the presence of charge injection and photogenerated charges. Furthermore, these hysteretic behaviors associated with charge dynamics, ion migration, and interfacial electrochemical reaction are critical to further improve the performance and stability of MHPs photovoltaics and optoelectronics.

42 ENGINEERING↗
DOE OSTI2020

Moving beyond the Solvent-Tip Approximation to Determine Site-Specific Variations of Interfacial Water Structure through 3D Force Microscopy

Although interfacial solution structure impacts environmental, biological, and technological phenomena, including colloidal stability, protein assembly, heterogeneous nucleation, and water desalination, its molecular details remain poorly understood. Here, we visualize the three-dimensional (3D) hydration structure at the boehmite(010)-water interface using fast force mapping (FFM). Using a self-consistent scheme to decouple long-range tip-sample interactions from short-range solvation forces, we obtain the solution structure with lattice resolution. The results are benchmarked against molecular dynamics simulations that explicitly include the effects of the tip with different levels of approximation and systematically account for tip size, chemistry, and confinement effects. We find four laterally structured water layers within 1 nm of the surface, with the highest water densities at sites adjacent to hydroxyl groups. The key features beyond the first two layers can only be predicted using a full-scale simulation of the boehmite-water-silica system. Our findings further reveal a complex relationship between site-specific chemistry, water density, and long-range particle interactions; and present important advances toward quantitative data interpretation in 3D FFM.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Entropically engineered formation of fivefold and icosahedral twinned clusters of colloidal shapes

Fivefold and icosahedral symmetries induced by multiply twinned crystal structures have been studied extensively for their role in influencing the shape of synthetic nanoparticles, and solution chemistry or geometric confinement are widely considered to be essential. Here we report the purely entropy-driven formation of fivefold and icosahedral twinned clusters of particles in molecular simulation without geometric confinement or chemistry. Hard truncated tetrahedra self-assemble into cubic or hexagonal diamond colloidal crystals depending on the amount of edge and vertex truncation. By engineering particle shape to achieve a negligible entropy difference between the two diamond phases, we show that the formation of the multiply twinned clusters is easily induced. The twinned clusters are entropically stabilized within a dense fluid by a strong fluid-crystal interfacial tension arising from strong entropic bonding. Our findings provide a strategy for engineering twinning behavior in colloidal systems with and without explicit bonding elements between particles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

A microfluidic platform for the synthesis of polymer and polymer-protein-based protocells

In this study, we demonstrate the fabrication of polymersomes, protein-blended polymersomes, and polymeric microcapsules using droplet microfluidics. Polymersomes with uniform, single bilayers and controlled diameters are assembled from water-in-oil-in-water double-emulsion droplets. This technique relies on adjusting the interfacial energies of the droplet to completely separate the polymer-stabilized inner core from the oil shell. Protein-blended polymersomes are prepared by dissolving protein in the inner and outer phases of polymer-stabilized droplets. Cell-sized polymeric microcapsules are assembled by size reduction in the inner core through osmosis followed by evaporation of the middle phase. All methods are developed and validated using the same glass-capillary microfluidic apparatus. This integrative approach not only demonstrates the versatility of our setup, but also holds significant promise for standardizing and customizing the production of polymer-based artificial cells.

36 MATERIALS SCIENCE↗
NASA NTRS1984

The Effect of Solidification Rate on Morphological Stability

At low solidification rates, the criterion for the onset of morphological instability parallels closely the criterion of constitutional supercooling. At somewhat larger rates of solidification, however, the results of the perturbation theory of morphological instability differ significantly from the predictions of constitutional supercooling. This arises because the critical wave length for instability decreases as solidification rate increases and thus the effects of capillarity (solid-liquid surface tension) play a strong stabilizing role. This gives rise to the concept of absolute stability, according to which the system will always be stable for a sufficiently large rate of solidification. This enhanced stabilization by capillarity is present only so long as local equilibrium is maintained at the solid-liquid interface. If the interfacial temperature drops below its equilibrium value by an amount dependent on growth rate, oscillatory morphological instabilities can occur. The differences among these various stability criteria are illustrated by means of some simple two-dimensional diagrams that should supplant the conventional plots of (temperature gradient)/(growth rate) vs. alloy concentration.

Sekerka, R. F.↗
DOE OSTI2025

Unlocking liquid chemisorption in solid matrices: immobilized deep eutectic solvent-ZIF-8 composites for next-generation CO 2 capture

Achieving net-zero emissions by 2050 requires scalable and durable CO 2 capture solutions, with direct air capture (DAC) gaining increasing prominence. Deep eutectic solvents (DESs) have emerged as promising candidates due to their strong chemisorptive properties, but their liquid-phase nature limits integration into solid systems. In this study, we introduce a solid–liquid hybrid approach by immobilizing [TEAB][TEPA] 2 , a highly CO 2 -reactive DES, onto various supports via non-covalent immobilization. This strategy induces solid-like behavior while retaining molecular-level reactivity of the DES. Among the supports including ZIF-8, zeolite Y, zirconia, and alumina, the [TEAB][TEPA] 2 @ZIF-8-56% composite demonstrated promising CO 2 uptake capacity of 2.00 mmol g −1 adsorbent at 1 bar, 1.48 at 0.15 bar, 0.96 at 0.01 bar, and 0.59 at 0.4 mbar. Particularly, we can observe that the chemisorption capacity under 400 ppm conditions is successfully introduced into ZIF-8, whereas pristine ZIF-8 showed negligible uptake under these same conditions. Breakthrough experiments confirmed robust capture behavior under humid conditions. The composite exhibited excellent cycling stability over 100 capture-release cycles, supported by thermogravimetric analysis. In situ DRIFTS verified that the chemisorptive nature of the DES remained intact after immobilization. Additional characterization studies, including FTIR, PXRD, N 2 physisorption, and XPS depth profiling, revealed partial DES infiltration and strong interfacial interactions. Comparative results using alumina-based composites underscored the importance of microporosity in stability. Finally, these findings suggest that DES-MOF composites hold promise as carbon capture materials, bridging liquid-phase functionality and solid-state robustness.

Yoo, Yunsung [Northwestern Univ., Evanston, IL (Un↗
DOE OSTI2024

Enhancing the Reaction Kinetics and Stability of Co‐Free Li‐Rich Cathode Materials via a Multifunctional Strategy

Co-free Li-rich layered oxides (CFLLOs) with anionic redox activity are among the most promising cathode materials for high-energy-density and low-cost lithium-ion batteries (LIBs). However, irreversible oxygen release often causes severe structural deterioration, electrolyte decomposition, and the formation of unstable cathode-electrolyte interface (CEI) film with high impedance. Additionally, the elimination of cobalt elements further deteriorates the reaction kinetics, leading to reduced capacity and poor rate performance. Here, in this study, a multifunctional strategy is proposed, incorporating Li 2 MnO 3 phase content regulation, micro-nano structure design, and heteroatom substitution. The increased content of Li 2 MnO 3 phase enhances the capacity through oxygen redox. The smaller nanoscale primary particles induce greater tensile strain and introduce more grain boundaries, thereby improving the reaction kinetics and reactivity, while the larger micron-sized secondary particles help to reduce interfacial side reactions. Furthermore, Na⁺ doping modulates the local coordination environment of oxygen, stabilizing both the anion framework and the crystal structure. As a result, the designed cathode exhibits enhanced rate performance, delivering a capacity of 158 mAh g⁻¹ at 5.0 C and improved cyclic stability, with a high capacity retention of 99% after 400 cycles at 1.0 C. This multifunctional strategy holds great promise for advancing the practical application of CFLLOs in next-generation LIBs.

Co-free Li-rich layered oxide↗
DOE OSTI2020

Stable CdTe Photoanodes with Energetics Matching Those of a Coating Intermediate Band

Here, a TiO 2 coating was grown on a CdTe absorber by atomic layer deposition for stabilization against its photocorrosion during photoelectrochemical water splitting. Under simulated sunlight (AM 1.5G, 100 mW cm –2 ), this multilayer CdS/CdTe/TiO 2 /Ni/NiO x photoanode produced a light-limited photocurrent density of 24.5 ± 0.5 mA cm –2 and a photovoltage of 780 ± 20 mV. This record energy-conversion performance was comparable to those of baseline CdS/CdTe solar cells and was achieved only after the development of proper CdTe surface treatments prior to coating the stabilization layer. The TiO 2 coating, with its in-gap charge-transport intermediate band, facilitates hole transport as light exits the CdTe/TiO 2 interface. With proper interfacial chemistry, the electrochemical potential energy of the coating intermediate band matched that of the CdTe valence band. Moreover, the stabilized CdS/CdTe/TiO 2 /Ni/NiO x photoanodes showed 100 h stability for water oxidation under light-on/light-off cycles. This study provides insightful guidance for designing stabilization contacts for efficient and stable light-driven water oxidation.

14 SOLAR ENERGY↗