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NASA NTRS1992

Morphological instability of a thermophoretically growing deposit

The stability of the planar interface of a structureless solid growing from a depositing component dilute in a carrier fluid is studied when the main solute transport mechanism is thermal (Soret) diffusion. A linear stability analysis, carried out in the limit of low growth Peclet number, leads to a dispersion relation which shows that the planar front is unstable either when the thermal diffusion factor of the condensing component is positive and the latent heat release is small or when the thermal diffusion factor is negative and the solid grows over a thermally-insulating substrate. Furthermore, the influence of interfacial energy effects and constitutional supersaturation in the vicinity of the moving interface is analyzed in the limit of very small Schmidt numbers (small solute Fickian diffusion). The analysis is relevant to physical vapor deposition of very massive species on cold surfaces, as in recent experiments of organic solid film growth under microgravity conditions.

Castillo, Jose L.↗

DOE OSTI2026

Chemical and Structural Insights into Solid Electrolyte Interphase Evolution for Sodium Metal Electrodes

The solid electrolyte interphase (SEI) critically governs the reversibility of sodium metal batteries, through dynamically mediating ion transport and interfacial reactions. However, its kinetic evolution under operating conditions, and how it influences interfacial stability, remains poorly understood. Here, in this study, we reveal that the SEI undergoes coupled chemical and mechanical changes during sodium plating and stripping, leading to spatial and temporal heterogeneity that drives interfacial degradation. Synchrotron operando grazing-incidence wide-angle X-ray scattering and soft X-ray absorption spectroscopy capture the sequential formation and dissolution of inorganic SEI phases (NaF, NaH, NaOH, Na 2 PO 3 F), accompanied by depth-dependent alterations in organic SEI components. Mesoscale modeling connects this evolving SEI heterogeneity to localized current density fluctuations and stress accumulation at the Na interface, identifying pathways to electrically isolated sodium formation. These findings show that SEI instability fundamentally limits reversibility in sodium metal batteries, and that controlling SEI chemistry–mechanics coupling is essential to achieving its durability.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Constructing stable interface layer for boosting high-voltage cycling performance of single-crystal Ni-rich cathodes

Increasing demand for electric vehicles (EVs) worldwide and the requirements for environmental protection have greatly promoted the development of low-Co, Ni-rich layered cathodes due to their high energy density, reasonable cost, and less environmental pollution. Nevertheless, serious performance degradation and safety concerns resulting from structural/interfacial instability under high operating voltages (≥4.3 V) have greatly hindered its commercialization. Herein, we propose a feasible surface modification strategy by introducing a multifunctional Li 2 SiO 3 (LSO) coating layer onto the surface of Co less single-crystalline LiNi 0.63 Co 0.07 Mn 0.3 O 2 (NCM) to solve the above challenges. Additionally, the uniform Li 2 SiO 3 coating layer has a unique three-dimensional (3D) ion diffusion channel, which greatly promotes the transmission of Li + and alleviates interfacial stress accumulation. Equally important, the electrochemically inert Li 2 SiO 3 coating layer has a stable structure framework with strong Si-O bonds, which inhibit anisotropic particle volume expansion and the occurrence of side reactions during long-term cycling. As a consequence, LSO modified NCM exhibits greatly improved electrochemical properties even at harsh testing conditions and achieves capacity retention of 79.1% after 200 cycles at 25°C within 2.95-4.5 V in half cells. Furthermore, it provides an outstanding capacity retention of 94.7% after 300 cycles at 25°C within 2.95-4.4 V when tested in pouch full cells.

25 ENERGY STORAGE↗

DOE OSTI2020

Bimolecular crystal instability and morphology of bulk heterojunction blends in organic and perovskite solar cells

The performance of polymer:fullerene bulk heterojunction (BHJ) solar cells is significantly influenced by the morphology of electron donor and acceptor blends under the premise that electronic structure is complimentary regarding donor and acceptor materials. There are many cases where intimate mixing of donor and acceptor perturbs the electronic structure, which fundamentally changes the transport and photovoltaic characteristics. In this work, we present the bimolecular crystal packing of polymers and fullerenes, and investigate the correlation between device performance and structural details. We find that bimolecular crystallization can reorganize polymer chain packing, leading to poor electron transport and device performance. The size compatibility and the passivation of entropy penalty led to cocrystallization instability, which was clearly seen by in situ GIWAXS data. PC 61 BM is found to intercalate into side chains of PQT by reorganizing both PQT and PC 61 BM, forming stable, highly ordered bimolecular crystals. The poor electron transport in bimolecular crystal domain could account for the poor device performance in both perovskite and organic solar cells. Bis-PC 61 BM, on the other hand, only forms loosely packed aggregates in solution, and then rapidly phase separated into large domains with an edge-on interfacial orientation and performed poorly in solar cells.

36 MATERIALS SCIENCE↗

NASA NTRS1985

Experimental and Theoretical Studies of Wetting and Multilayer Adsorption

The recent work with partially miscible binary liquid mixtures has established that the structure of the liquid-vapor interface can undergo a first-order phase transition from incomplete to complete wetting of the vapor as the temperature is raised. A discontinuity in the change of interfacial tension as a function of temperature at the phase transition has been predicted to occur in many systems and to play an important role in the growth of uniform composites from alloy melts at monotectic points. These measurements are the first to establish the order of the transition. Studies of capillary rise in SF6 in a unique interferometer have led to the first measurements of the thickness of wetting layers (or equivalently, multilayer adsorbed films) on a solid surface near a liquid-vapor critical point. Instabilities in wetting layers were observed. A theory for the instabilities is being developed and will be checked by both static and dynamic optical experiments. The effect of gravity on the apparent thickness of interfaces (as measured by ellipsometry) is under study.

Moldover, M. R.↗

DOE OSTI2021

Direct Observation of Interfacial Mechanical Failure in Thiophosphate Solid Electrolytes with Operando X-Ray Tomography

Herein, the mechanical behaviors of Li 10 GeP 2 S 12 (LGPS) solid electrolytes during electrochemical cycling using operando X-ray tomography are investigated. It is demonstrated that the bulk mechanical decomposition of LGPS when cycled against lithium is a direct result of electrochemical reduction of the solid electrolyte at the LGPS/Li 0 interface. The reductive decomposition of LGPS during lithium plating results in the formation of low-density domains at the electrode/electrolyte interface, which impose sufficient mechanical stress on the underlying LGPS to crack the SE pellet. The critical stress developed prior to pellet fracture is significantly lower than the bulk shear modulus of LGPS, suggesting that the electrochemical instability of LGPS dramatically worsens the mechanical stability of the material near the LGPS/Li 0 interface. It is also shown that the application of a highly concentrated liquid electrolyte to the LGPS surface suppresses the reductive decomposition of LGPS, improving both the electrochemical performance and mechanical stability of the bulk LGPS solid electrolyte.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Identifying Suitable Front Contacts for High‐Efficiency Cd(Se,Te) Solar Cells on Space‐Qualified Cover Glass

Deployment of photovoltaics in space requires devices that combine high-efficiency, low areal mass, and resilience to harsh environments. Historically, high-efficiency multijunction III–V materials have dominated space power systems; however, their high cost and limited manufacturing throughput motivate the exploration of scalable alternatives. While CdTe-based thin-film photovoltaics offer an attractive option, their performance on non-conventional substrates can suffer from front contact instability under higher-temperature processing. Here, the role of front contact chemistry in limiting cell performance is investigated using CdTe-based devices fabricated on 150 μm thick Ceria-doped space-qualified 0214 Corning glass. A matrix of four transparent conducting oxides (TCOs: CTO, AZO, ITO, IZO) combined with two n-type emitters (MZO, IGO) reveals chemical stability at the front interface—rather than absorber composition alone—governs recombination losses, voltage deficits, and device reproducibility. Chemically stable front contact combinations suppress elemental diffusion and interfacial degradation, resulting in significantly improved carrier lifetimes and junction quality. These insights are validated through record-certified Cd(Se,Te) cell efficiencies of 18.4% under AM1.5G and 16.2% under AM0 illumination on ultra-thin glass. Beyond CdTe, this work provides a general framework for the rational selection of TCO/emitter interfaces in superstrate thin-film photovoltaics, including emerging technologies like metal halide perovskites, while enabling high-efficiency, lightweight photovoltaics for space applications.

14 SOLAR ENERGY↗

DOE OSTI2025

Titanium Nitride as an Intermetallic Diffusion Barrier for Hydrogen Permeation in Palladium–Vanadium Composite Membranes

Hydrogen purification is a critical industrial process, and there are ongoing efforts to develop low-cost alternatives to palladium foil membranes. Titanium nitride (TiN) is studied as an interdiffusion barrier to enable hydrogen permeation in composite palladium–vanadium membranes. TiN was deposited via reactive sputtering, and films with the desired (200) orientation were obtained in the metallic regime at 400 °C under a 200 V bias to the substrate. The permeability of thin-film TiN was determined with palladium-based sandwich structures. TiN layers up to 10 nm resulted in a minimal decrease in flux (~20%) relative to a freestanding PdCu foil, which was attributed to the interfacial resistance. At greater thicknesses, the TiN layer was rate-limiting, and it was found that the effective permeability of the sputtered TiN thin films was ~6 × 10−12 mol s−1 m−1 Pa−0.5. Composite Pd|TiN|V|TiN|Pd membranes exhibited permeability values up to three times greater than pure palladium, exhibiting stability at 450 °C for over 100 h, with the lack of intermetallic diffusion and alloy formation being confirmed with XRD. The membranes were unstable at 500 °C, which was attributed to the instability of the thin Pd layer and loss of catalytic activity.

Biochemistry & Molecular Biology↗

DOE OSTI2025

A fluctuating hydrodynamics model for nanoscale surfactant-laden interfaces

A multispecies diffuse interface model is formulated in a fluctuating hydrodynamics framework for the purpose of simulating surfactant interfaces at the nanoscale. The model generalizes previous work to ternary mixtures, employing a Cahn-Hilliard free energy density combined with incompressible, isothermal fluctuating hydrodynamics where dissipative fluxes include both deterministic and stochastic terms. The intermolecular parameters in the free energy are chosen such that one species acts as a partially miscible surfactant. From Laplace pressure measurements, we show that in this model the surface tension decreases linearly with surfactant concentration, leading to Marangoni convection for interfaces with concentration gradients. In the capillary wave spectrum for interfaces with and without surfactant, we find that for the former, the spectrum deviates significantly from classical capillary wave theory, presumably due to Gibbs elasticity. In non-equilibrium simulations of the Rayleigh-Plateau instability, deterministic simulations showed that the surfactant delays pinching of a fluid cylinder into droplets. However, stochastic simulations indicate that thermal fluctuations disrupt the surfactant's stabilizing effect. Similarly, the spreading of a patch of surfactant, driven by Marangoni convection, was found to be partially suppressed by thermal fluctuations.

Capillary waves↗

DOE OSTI2026

Data Associated with "Identifying Suitable Front Contacts for High-Efficiency Cd(Se,Te) Solar Cells on Space-Qualified Cover Glass"

This is data associated with the publication " Identifying Suitable Front Contacts for High-Efficiency Cd(Se,Te) Solar Cells on Space-Qualified Cover Glass " by Aesha P. Patel, Ryan Muzzio, Matthew R. Young, Robert Morrissey, Suresh Chaulagain, B. Edward Sartor, Prabodika N. Kaluarachchi, Christian Velez, Joshua A. Brown, Joel N. Duenow, Stephen Glynn, Michael J. Heben, Zhaoning Song, Nikolas J. Podraza, Adam B. Phillips, Randy J. Ellingson, Matthew O. Reese. All data associated with each figure in the manuscript and supplementary should be available in this dataset. A readme file is also included to provide some guidance. Abstract: Deployment of photovoltaics in space requires devices that combine high-efficiency, low areal mass, and resilience to harsh environments. Historically, high-efficiency multijunction III–V materials have dominated space power systems; however, their high cost and limited manufacturing throughput motivate the exploration of scalable alternatives. While CdTe-based thin-film photovoltaics offer an attractive option, their performance on non-conventional substrates can suffer from front-contact instability under higher-temperature processing. Here, the role of front-contact chemistry in limiting cell performance is investigated using CdTe-based devices fabricated on 150 μm thick Ceria-doped space-qualified 0214 Corning glass. A matrix of four transparent conducting oxides (TCOs: CTO, AZO, ITO, IZO) combined with two n-type emitters (MZO, IGO) reveals chemical stability at the front interface—rather than absorber composition alone—governs recombination losses, voltage deficits, and device reproducibility. Chemically stable front-contact combinations suppress elemental diffusion and interfacial degradation, resulting in significantly improved carrier lifetimes and junction quality. These insights are validated through record-certified Cd(Se,Te) cell efficiencies of 18.4% under AM1.5G and 16.2% under AM0 illumination on ultra-thin glass. Beyond CdTe, this work provides a general framework for the rational selection of TCO/emitter interfaces in superstrate thin-film photovoltaics, including emerging technologies like metal halide perovskites, while enabling high-efficiency, lightweight photovoltaics for space applications.

14 SOLAR ENERGY↗

NASA NTRS1982

Effects of rotation and magnetic field on the onset of convective instability in a liquid layer due to buoyancy and surface tension

Thermocapillary stability characteristics of a horizontal liquid layer heated from below rotating about a vertical axis and subjected to a uniform vertical magnetic field are analyzed under a variety of thermal and electromagnetic boundary conditions. Results based on analytical solutions to the pertinent eigenvalue problems are discussed in the light of earlier work on special cases of the more general problem considered here to show in particular the effects of the heat transfer, nonzero curvature and gravity waves at the two-fluid interface. Although the expected stabilizing action of the Coriolis and Lorentz force fields in this configuration are in evidence the optimal choice of an appropriate range for the relevant parameters is shown to be critically dependent on the interfacial effects mentioned above.

Sarma, G. S. R.↗

NASA NTRS1984

Future Directions of Research in Adhesion and Friction. Status of Understanding

Four main classes of materials are covered: metals, ceramics, elastomers and polymers. In dealing with adhesion a distinction is drawn between adhesion (which often involves thermodynamic concepts) and the observed adhesive strength, here designated as the pull-off force. With metals the level of understanding of the interfacial bond is well understood theoretically and was elegantly studied experimentally. However the role of surface roughness and especially ductility needs to be incorporated into an overall view of metallic adhesion. The effect of contaminant films has not gone far beyond purely descriptive language. The friction of metals is understood in terms of surface topography, adhesion and deformation and there are now promising solutions using slipline-field theory. These do not however, cope very satisfactorily with work hardening. For surfaces sliding at higher speeds there are now good models which deal with asperity instabilities produced by frictional heating.

Tabor, D.↗

NASA NTRS2000

Effects of G-Jitter on Interfacial Dynamics of Two Miscible Liquids: Application of MIM

We designed an experiment to examine the effects of g-jitter on mixing of two miscible liquids using the Microgravity Vibration Isolation Mount (MIM). The global bifurcation of the interface was observed with the MIM operating alternatively to either transmit the g-jitter, isolate from the g-jitter or to provide controlled vibration levels with well defined amplitude and frequency content. With the MIM in isolation mode, the interface remains stationary indicating buoyancy induced convection is negligibly small such that mixing occurs via intrinsic mass diffusion without the masking effect of vibration driven convection. Analytical and computational results are in agreement with the experimental findings. Operation of the MIM in forced mode with conditions typical of g-jitter shows that vibration induced convective flows can excite instability mechanisms such as Kelvin-Helmholtz to generate large amplitude quasi-stationary waves oriented vertically for various cases with Stokes-Reynolds number in the range of 0.003 to 0.5. The two and four mode quasi-stationary waves are also predicted with a mathematical model. Though unplanned, the effect of a primary thruster filing was captured and shown to cause a catastrophic bifurcation, enhancing local mass transport. In light of the findings, experiments planned for the International Space Station should consider the potential effects of g-jitter.

Duval, Walter M. B.↗

NASA NTRS2017

Interfacial and Hydrodynamic Behavior of Thin Spherical Bubbles of Smectic Liquid Crystal in Microgravity

The Observation and Analysis of Smectic Islands in Space (OASIS) project comprises a series of experiments that probe the interfacial and hydrodynamic behavior of thin spherical bubbles of smectic liquid crystal in microgravity. Smectic films are the thinnest known structures formed of condensed phases, making them ideal for studies of two-dimensional (2D) coarsening dynamics and thermocapillary phenomena. The OASIS flight hardware was launched on SpaceX-6 in April 2015 and experiments were carried out on the International Space Station using four different smectic A and C liquid crystal materials in separate sample chambers. We will describe the behavior of collective island dynamics on the bubbles, including temperature-gradient-induced thermomigration, 2D Rayleigh-Plateau Instability, Oswald ripening dynamics, the single and multiple island diffusion on the curved surface and coalescence-driven coarsening dynamics of island emulsions in microgravity. On Earth, such island emulsions would rapidly sediment to the bottom of the bubble and coalesce, but in microgravity, coarsening of the emulsion can be observed free of gravitational effects.

liquid crystal↗

DOE OSTI2020

Measurement of Ehrlich-Schwoebel barrier contribution to the self-organized formation of ordered surface patterns on Ge(001)

Normal-incidence 1-keV Ar + ion bombardment leads to amorphization and ultrasmoothing of Ge at room temperature, but at elevated temperatures the Ge surface remains crystalline and is unstable to the formation of self-organized nanoscale patterns of ordered pyramid-shaped pits. The physical phenomenon distinguishing the high-temperature patterning from room-temperature ultrasmoothing is believed to be a surface instability due to the Ehrlich-Schwoebel barrier for diffusing vacancies and adatoms, which is not present on the amorphous material. This real-time grazing-incidence small-angle x-ray scattering study compares smoothing of a prepatterned Ge sample at room temperature with patterning of an initially flat Ge sample at an elevated temperature. In both experiments, when the nanoscale structures are relatively small in height, the average kinetics can be explained by a linear theory. Furthermore, the linear theory coefficients, indicating surface stability or instability, were extracted for both experiments. A comparison between the two measurements allows estimation of the contribution of the Ehrlich-Schwoebel barrier to the self-organized formation of ordered nanoscale patterns on crystalline Ge surfaces.

36 MATERIALS SCIENCE↗

NASA NTRS1995

Interface Instabilities in the Interstellar Medium

In the present communication, we reexamine two limiting cases of star-forming mechanisms involving self-gravity, thermodynamics, and velocity fields, that we believe must be ubiquitous in the ISM -- the generally oblique collision of supersonic gas streams or turbulent eddies. The general case of oblique collisions has not yet been examined. However, two limiting cases have been studied in detail: (1) The head-on collision of two identical gas streams that form dense, cool accretion shocks that become unstable and may form Jeans mass clouds, which subsequently undergo collapse. (2) Linearly unstable tangential velocity discontinuities, which result in Kelvin-Helmholtz (K-H) instabilities and related phenomena. The compressible K-H instabilities exhibit rich and unexpected behaviors. Moreover a new thermal-dynamic (T-D) mode was discovered that arises from the coupling of the perturbed thermal behavior and the unperturbed flow. The T-D mode has the curious characteristic that it may be strongly unstable to interface modes when the global modes in either medium are absolutely thermally stable. In the present communication additional models of case 1 are described and discussed, and self-gravity is added in the linear theory of tangential discontinuities, case 2. We prove that self-gravity fundamentally changes the behavior of interfacial modes -- density discontinuities (or steps) are inherently unstable on roughly the free-fall timescale of the denser medium to perturbations of all wavelengths.

Hunter, J. H., Jr.↗

NASA NTRS1991

Dynamic delamination crack propagation in a graphite/epoxy laminate

Dynamic delamination crack propagation in a (90/0) 5s Graphite/Epoxy laminate with an embedded interfacial crack was investigated experimentally using high speed photography. The dynamic motion was produced by impacting the beamlike laminate specimen with a silicon rubber ball. The threshold impact velocities required to initiate dynamic crack propagation in laminates with varying initial crack positions were determined. The crack propagation speeds were estimated from the photographs. Results show that the through the thickness position of the embedded crack can significantly affect the dominant mechanism and the threshold impact velocity for the onset of crack movement. If the initial delamination is placed near the top of bottom surface of the laminate, local buckling of the delaminated plies may cause instability of the crack. If the initial delamination lies on the midplane, local buckling does not occur and the initiation of crack propagation appears to be dominated by Mode II fracture. The crack propagation and arrest observed was seen to be affected by wave motion within the delamination region.

Grady, J. E.↗

DOE OSTI2020

Shock-driven kinetic and diffusive mix in high-Z pusher ICF designs

Revolver and Double Shell Inertial Confinement Fusion capsule designs hope to achieve a robust volumetric thermonuclear burn via the use of a high-Z pusher shell filled with a cryogenic D–T fuel. Unfortunately, mix of the pusher material into the fuel (gas) may adversely impact the burn performance. Hydrodynamic instability of the metal/gas interface as the mix source is an obvious concern, but 1D effects may also be detrimental. Such effects include plasma diffusion at material interfaces, which has been the subject of numerous theoretical, computational, and experimental investigations. However, other 1D mix mechanisms may exist, which have yet to be thoroughly explored. In particular, plasma kinetic effects may drive the mix when a shock breaks out of the metal/gas interface. Using the state-of-the-art, hybrid (kinetic-ion/fluid electron), multi-ion Vlasov–Fokker–Planck code, iFP, we show herein that shock-driven kinetic effects can reconfigure the interface and the interfacial width subsequently grows diffusively. Finally, we consider any implications for high-Z pusher designs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗