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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Mesoporous Amorphous High-Entropy Oxide Films: Unlocking Enhanced Redox Activity

High-entropy oxides (HEOs) represent a frontier in catalyst design via entropy-stabilized solid solution formation. However, their catalytic efficiency is limited by their bulk and dense nature. This work presents a strategic approach to tackle this challenge by fabricating mesoporous amorphous HEO films (MA-HEOF) possessing maximized active site utilization efficiency. The success hinges on the as-developed geometric engineering strategy via controlled deposition–precipitation to confine the amorphous HEO thin film on the surface of mesoporous channels. The unique structure of MA-HEOF was elucidated via microscopy-, X-ray-, and neutron-based techniques, which were manifested by enriched surface-activated lattice oxygen and enhanced redox activity, as confirmed by isotope studies. Besides, the MA-HEOF could stabilize and modulate the properties of integrated noble metal sites, enhancing their redox activity in diverse reactions. In conclusion, the approaches and insights presented herein provide guidance on maximizing the utilization efficiency of high-entropy materials in catalysis and beyond.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

The fate of liquid crystal topological defects on chemically patterned surfaces during phase transitions

Controlling topological defects in liquid crystals (LCs) is an essential element in the development of areas such as directed self-assembly and micropatterning materials. However, during the phase transition on confined patterned surfaces, how the morphologies in one liquid crystalline phase change from deformations or defects into another phase is much less known. Here, we examine the fate of defects in a LC confined on a patterned surface during smectic-A–nematic and nematic–isotropic phase transitions, using experiments and simulation analyses. Upon heating from smectic-A to nematic, a Toric focal conical domain (TFCD) melts into a +1 converging boojum defect, which then transitioned into a concentric configuration as temperature increases, attributed to a steeper decrease of the bend and twist modulus compared to splay modulus. During cooling, TFCDs are developed from two distinct pathways depending on the cooling rates. Our continuum simulation recapitulates these transformations and provides elastic constant-based explanations for the two pathways. Although the phase transition pathways of defects are independent of the geometry of the confined patterns, the arrangement of FCDs is highly dependent on the size and shape of the patterns. Finally, taken together, this simple approach offers promising opportunities for tuning the micro- or nano-patterning of topological defects in liquid crystals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1983

Ignition of confined gaseous mixtures by hot surfaces and hot wires

Ignition times and spatial and temporal variations of temperature and concentration in gaseous mixtures confined between two infinite parallel walls or two infinite cylinders have been obtained by numerical integration of the appropriate conservation equations written in Lagrangian coordinates. Ignition times and ignition energies are presented for the case of an isothermal wall in terms of the initial mixture pressure and equivalence ratio for both one and two-step chemical reaction mechanisms. The numerical results indicate that there is a critical mixture pressure for which the ignition time is minimum. The values of this critical pressure are larger (smaller) than 1 atm for the one- (two-) step reaction mechanism. The critical pressure for the ignition time is not equal to the critical pressure for the ignition energy. The ignition time and energy decrease with the equivalence ratio within a certain range and then remain constant.

Ramos, J. I.↗
DOE OSTI2026

Surface Hydroxyls of Imogolite Nanotubes Drive Distinct Structures and Mobility Differentiation of Nanoconfined Water

Abstract Nanoconfined fluids, particularly water, govern subsurface geochemistry, yet the molecular-level mechanisms by which mineral surfaces dictate confined water structure and mobility remain poorly resolved. Here, we combine solution- and solid-state proton (1H) NMR spectroscopy, NMR relaxometry, modulated-gradient spin–echo (MGSE) NMR diffusometry, infrared spectroscopy, and molecular dynamics simulations to demonstrate that surface hydroxyls drive the structural and dynamic differentiation of water in imogolite nanotubes. In saturated suspensions, we observe the coexistence of distinct water 1H environments, each exhibiting significantly reduced mobility, which we attribute to strong interactions with the imogolite surfaces. As more mobile water is removed, long-range water diffusivity in the fibrous solid samples slows to 1.6 × 10–10 m2·s–1 while local fluctuations increase to 3.4 × 10–8 m2·s–1, indicating a significant increase in molecular restriction through surface interactions. Together, our experiments reveal three coexisting populations with varied structures and mobilities, all distinct from liquid bulk water. We resolve a persistent solid-like interfacial layer strongly bound to surface hydroxyls, characterized by an unusually short T2 (<1 ms), and a very close effective 1H–1H distance of ∼1.55 Å between water and the inner-surface silanol group. An inner-core population occupying the inner cavity exhibits an intermediate dynamic regime with restricted axial diffusion, while outer-surface water associated with aluminum hydroxyls retains relatively higher mobility. These results experimentally substantiate a hierarchy of water populations in imogolite and show how surface chemistry dictates the structures and dynamics of confined water.

Fleming, Xander B. [Earth and Environmental Scienc↗
NASA NTRS1983

A helium-3 refrigerator employing capillary confinement of liquid cryogen

A condensation refrigerator suitable for operation in a zero gravity space environment was constructed. The condensed liquid refrigerant is confined by surface tension inside a porous metal matrix. Helium-4 and helium-3 gases were condensed and held in a copper matrix. Evaporative cooling of confined liquid helium-4 resulted in a temperature of 1.4K. Using a zeolite adsorption pump external to the cryostat, a temperature of 0.6 K was achieved through evaporative cooling of liquid helium-3. The amount of time required for complete evaporation of a controlled mass of liquid helium-4 contained in the copper matrix was measured as a function of the applied background power. For heating powers below 18 mW the measured times are consistent with the normal boiling of the confined volume of liquid refrigerant. At background powers above 18 mW the rapid rise in the temperature of the copper matrix the signature of the absence of confined liquid occurs in a time a factor of two shorter than that expected on the basis of an extrapolation of the low power data.

Ennis, D. J.↗
DOE OSTI2020

Non-monotonic behavior of the lateral diffusivity in an adsorbate as a function of the surface coverage

Diffusion dynamics of adsorbate particles confined on a surface strongly depends on the adsorbate surface coverage. Our molecular dynamics simulation reveals that the average lateral diffusivity of the Lennard-Jones adsorbate on a flat substrate varies non-monotonically with the surface coverage. Given that the adsorbate becomes stratified into distinct layers, we propose a novel approach to analyze the lateral diffusion of the adsorbate particles in different layers, via dividing the total lateral diffusion into consecutive lateral diffusion processes, separated by the layer boundary crossing events. A new definition of the lateral diffusivity in the specific layer has been introduced, and it is revealed that the total lateral diffusivity is equal to the sum of lateral diffusivities in different layers. Furthermore, the non-monotonic behavior of the average lateral diffusivity with the surface coverage is found to result from the difference in behavior of the lateral diffusivity between the first and other layers.

36 MATERIALS SCIENCE↗
NASA NTRS1973

Helium and hydrogen in the lunar atmosphere

Of the gas species supplied by the solar wind, only helium and hydrogen are light enough to be lost from the moon by Jeans' thermal escape mechanism. To study the behavior of helium and hydrogen, a Monte Carlo technique has been used, in which random ballistic trajectories of individual molecules are traced over a spherical moon. In the computation, a particle is 'created' on the sunlit surface, and the locations of its subsequent encounters with the surface are recorded until it escapes. Global distributions of helium and hydrogen concentrations have been computed, based on the hypothesis that the release of neutral gases from the lunar surface is confined to daytime and is correlated with the solar wind influx. The resulting helium model is in good agreement with the measurements from the Apollo 17 lunar surface mass spectrometer.

Hodges, R. R., Jr.↗
NASA NTRS2010

Hypervelocity Impact Testing of IM7/977-3 with Micro-Sized Particles

Ground-based hypervelocity imapct testing was conducted on IM7/977-3 quasi-isotropic flat panels at normal incidence using micron-sized particles (i.e. less than or equal to 100 microns) of soda lime glass and olivine. Testing was performed at room temperature (RT) and 175 C with results from the 175 C test compared to those obtained at RT. Between 10 and 30 particles with velocities ranging from 5 to 13 km/s impacted each panel surface for each test temperature. Panels were ultrasonically scanned prior to and after impact testing to assess internal damage. Post-impact analysis included microscopic examination of the surface, determination of particle speed and location, and photomicroscopy for microcrack assessment. Internal damage was observed by ultrasonic inspection on panels impacted at 175 C, whereas damage for the RT impacted panels was confined to surface divets/craters as determined by microscopic analysis.

Smith, J. G.↗
NASA NTRS1972

Photospheric magnetic fields

Knowledge on the nature of magnetic fields on the solar surface is reviewed. At least a large part of the magnetic flux in the solar surface is confined to small bundles of lines of force within which the field strength is of the order of 500 gauss. Magnetic fields are closely associated with all types of solar activity. Magnetic flux appears at the surface at the clearly defined birth or regeneration of activity of an active region. As the region ages, the magnetic flux migrates to form large-scale patterns and the polar fields. Some manifestations of the large-scale distribution are discussed.

Howard, R.↗
DOE OSTI2024

EFRC-MUSE: Multi-Scale Fluid-Solid Interactions in Architected and Natural Materials

Phase interactions and fluid properties in geological and other environments are critical in applications ranging from hydrogen production and geologic storage and recovery, carbon dioxide storage and sequestration, and the sustainable use of water resources. The four goals of EFRC-MUSE: Multi-Scale Fluid-Solid Interactions in Architected and Natural Materials were based on the priority directions articulated in the Basic Research Needs documents, and the scientific needs in nanoscience. 1. Develop a fundamental understanding of confinement and surface interactions in mesoscale media with nanometer-sized pores on the phase behavior, thermodynamic and multiphase flow properties of multicomponent fluid mixtures. 2. Examine the impact of mineralogy and material heterogeneity on mechanical properties to better understand chemo-mechanical interactions in material failure. 3. Determine in-operando cross-scale structural and nanostructural material properties with fluids in confinement and flow under realistic condi

58 GEOSCIENCES↗
DOE OSTI2026

Electrostatic Gating of Ionic Conductance through Heterogeneous van der Waals Nanopores

Nanofluidic ionic transistors typically require gate voltages above 1 V and operate only at submillimolar ionic strengths, limiting their biocompatible applications. We demonstrate ionic transistors consisting of single sub-10 nm nanopores drilled in van der Waals (vdW) heterostructures with internal gate electrodes made of few-layer graphene. These devices deliver up to 10-fold current modulation at gate voltages as low as 0.3 V in 10 mM KCl, and ∼2-fold modulation at near-physiological 100 mM KCl. Baseline conductance with no gate shows surface-charge-dominated transport below 100 mM KCl, consistent with negatively charged hBN walls and ∼5 nm opening of the pores. The surface charge and the electrochemical asymmetry introduced by the three-electrode configuration govern the device’s behavior: negative gate voltage (V G ) enriches ionic concentrations and enhances current, whereas positive V G induces a local depletion zone that suppresses transport. The current modulation by V G is dependent on the polarity of the transmembrane potential and leads to ion current rectification. Molecular dynamics simulations of a nanopore in a hBN–graphene–hBN stack reveal confinement and surface charge-dependent suppression of the relative permittivity of interfacial water. Continuum modeling with radially varying interfacial water permittivity reproduces the asymmetric I–V characteristics and explains how the embedded gate sculpts local potential and ion concentrations. By enabling sub-0.5 V control of ionic transport at up to 100 mM salt concentrations, these devices address a key need in nanofluidics to create low-power ionic circuits and biosensing.

Materials science↗
DOE OSTI2026

Monitoring the Stability of Porous Coordination Cages during the Photoreduction of Porous Salt Thin Films

This study investigates the photochemical properties and stability of zirconium-based porous salts composed of coordination cages and redox-active polyoxometalates (POMs). While bulk porous salts demonstrated photoreduction confined to surface regions due to lim-ited light penetration and scattering effects, thin films of cage-POM assemblies were fabricated to address these challenges. These optically transparent films allowed access to the catalyst core, enabling enhanced photochemical characterization. Comparative studies revealed that the thin films exhibited superior photochemical activity and maintained porosity under optimized conditions, whereas bulk powders suffered from surface-limited photoreduction and cage decomposition. Furthermore, this work highlights the utility of thin films as a platform for studying and advancing the photochemical applications of porous salts.

Hoq, Jahidul [Indiana University, Bloomington, IN ↗
DOE OSTI2023

CO electroreduction on single-atom copper

Electroreduction of carbon dioxide (CO 2 ) or carbon monoxide (CO) toward C 2+ hydrocarbons such as ethylene, ethanol, acetate and propanol represents a promising approach toward carbon-negative electrosynthesis of chemicals. Fundamental understanding of the carbon–carbon (C-C) coupling mechanisms in these electrocatalytic processes is the key to the design and development of electrochemical systems at high energy and carbon conversion efficiencies. Here, we report the investigation of CO electreduction on single-atom copper (Cu) electrocatalysts. Atomically dispersed Cu is coordinated on a carbon nitride substrate to form high-density copper–nitrogen moieties. Chemisorption, electrocatalytic, and computational studies are combined to probe the catalytic mechanisms. Unlike the Langmuir-Hinshelwood mechanism known for copper metal surfaces, the confinement of CO adsorption on the single-copper-atom sites enables an Eley-Rideal type of C-C coupling between adsorbed (*CO) and gaseous [CO(g)] carbon moxide molecules. The isolated Cu sites also selectively stabilize the key reaction intermediates determining the bifurcation of reaction pathways toward different C 2+ products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Dynamic control of molecular transport MXene transistor membranes

Controlled spatial confinement and surface properties of lamellar 2D nanomaterial membranes could enhance many precision separation processes. Traditionally, researchers view channel dimensions, surface properties, and permeation rates of these membranes as intrinsic properties that cannot be modulated in operando. We report that gate voltage applied to the conducting laminar MXene membrane can modulate the permeation rate of ions and neutral solutes, as well as its effective size rejection. In operando wide-angle x-ray scattering measurements reveal that these changes are not driven by electrically induced variations in the d spacing of the MXene layers. Instead, experimental data and continuum electrokinetic modeling reveal that ion transport through the MXene channels is primarily affected by Donnan equilibrium at the membrane-solution interface. We also report a strong increase in the permeation rates through the membrane under a low-frequency ac voltage gating regime that we attribute to diffusioosmotic flow oscillations induced in the membrane. Overall, MXene “transistor” membranes provide a previously unidentified approach to dynamic control of molecular separations.

Pendse, Aaditya [Lawrence Livermore National Labor↗
NASA NTRS1972

An analytical study of reduced-gravity liquid reorientation using a simplified marker and cell technique

A computer program called HOPI was developed to predict reorientation flow dynamics, wherein liquids move from one end of a closed, partially filled, rigid container to the other end under the influence of container acceleration. The program uses the simplified marker and cell numerical technique and, using explicit finite-differencing, solves the Navier-Stokes equations for an incompressible viscous fluid. The effects of turbulence are also simulated in the program. HOPI can consider curved as well as straight walled boundaries. Both free-surface and confined flows can be calculated. The program was used to simulate five liquid reorientation cases. Three of these cases simulated actual NASA LeRC drop tower test conditions while two cases simulated full-scale Centaur tank conditions. It was concluded that while HOPI can be used to analytically determine the fluid motion in a typical settling problem, there is a current need to optimize HOPI. This includes both reducing the computer usage time and also reducing the core storage required for a given size problem.

Betts, W. S., Jr.↗
NASA NTRS1973

Computer program for the prediction of reorientation flow dynamics

Program uses Navier-Stokes and continuity equations for incompressible, viscous fluid as the basic equations governing reorientation flow dynamics. Program can simulate curved as well as straight-walled boundaries; has ability to calculate both free-surface and confined flows; and can be used in either cylindrical or plane geometry.

Betts, W. S., Jr.↗
NASA NTRS1988

Current developments in NASA cryogenic cooler technology

Cooler technologies that are being developed by NASA to meet the varying temperature and cooling power requirements of NASA instruments are described. In addition to providing the desired operating temperature and cooling power by stabilizing temperatures from room temperature down to 0.1 K or less, these coolers will have working lifetimes commensurate with the 10 to 15 year lifetime expected for major future NASA facilities. The types of coolers currently under development are discussed, including radiative coolers, solid cryogen coolers, surface tension confined liquid cryogen coolers, mechanical coolers, liquid helium dewars, He3 adsorption coolers, adiabatic demagnetization refrigerators, and dilution refrigerators.

Castles, Stephen H.↗