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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1979

Homogeneous alignment of nematic liquid crystals by ion beam etched surfaces

A wide range of ion beam etch parameters capable of producing uniform homogeneous alignment of nematic liquid crystals on SiO2 films are discussed. The alignment surfaces were generated by obliquely incident (angles of 5 to 25 deg) argon ions with energies in the range of 0.5 to 2.0 KeV, ion current densities of 0.1 to 0.6 mA sq cm and etch times of 1 to 9 min. A smaller range of ion beam parameters (2.0 KeV, 0.2 mA sq cm, 5 to 10 deg and 1 to 5 min.) were also investigated with ZrO2 films and found suitable for homogeneous alignment. Extinction ratios were very high (1000), twist angles were small ( or = 3 deg) and tilt-bias angles very small ( or = 1 deg). Preliminary scanning electron microscopy results indicate a parallel oriented surface structure on the ion beam etched surfaces which may determine alignment.

Wintucky, E. G.↗
DOE OSTI2021

Direct Observation of Tungsten Oxidation Studied by In Situ Environmental TEM

In this study, in situ environmental transmission electron microscopy (ETEM) was applied, for the first time, to investigate the thermal oxidation of a pristine and a self-ion irradiated polycrystalline tungsten, using a MEMS-based gas cell at 500 oC to 900 oC in a 1 bar 2%O2/N2 gas mixture. By tracking the dynamic evolution of the tungsten oxide scale as it initiates, grows, and sublimates during a consecutive thermal oxidation experiment, we observed two distinctive tungsten oxide microstructure – one nanocrystalline o-WO3 scale grown on W{27-1 } and W{1-1 8} and another o-WO3 scale exhibits a novel highly textured nanostructure. While the two oxide microstructures shared a similar thickness of ~200 nm after 40-minute early-stage oxidation, the nanocrystalline scale on the W{27-1 } grew much more rapidly at 800 oC than the highly textured oxide at a higher temperature of 900 oC. This suggests both the microstructure of these tungsten oxide scales as well as their oxidation kinetics are highly sensitive to the tungsten surface orientation, and such correlations also change dynamically in the course of oxidation. We also discuss the tungsten oxidation mechanism, the effects of the TEM foil thickness, and the focused ion beam (FIB) Ga+ damage on in situ ETEM oxidation.

In situ ETEM, Tungsten, Thermal oxidation, Orienta↗
DOE OSTI2023

Crystallographic and temperature effects in low-energy collisions for plasma–material interactions

The interaction of plasma with materials is critical for the fundamental understanding of non-equilibrium processes and their wide application. Recent achievements in fusion energy research emphasize the importance of this problem. Because modelling and predicting plasma–material interactions (PMI) require considering a tremendous number of single plasma particle–surface interaction events, this type of modelling was, until recently, possible only within a binary collision approximation (BCA). The BCA approach considers materials as uniform temperature-insensitive media. The research presented here addresses the PMI problem within an atomistic-based approach for the first time at a statistically significant level. Approximately 10 5 molecular dynamics trajectories were generated for 100 eV deuterium ions interacting with a tungsten surface. The research demonstrated the critical importance of incorporating the discrete lattice structure of matter into the model. Deuterium penetration depth and fraction of backscattered deuterium ions strongly depend on the surface orientation, the impact incident ion directions, and the ions’ initial positions. On average, the BCA-based calculations underestimate the penetration depth by a factor of two or more, and the fraction of backscattered atoms is overestimated by a factor of two or more. As a result, increasing the material temperature from 500 to 3000 K reduces penetration depth by about 30% and increases the fraction of backscattered atoms by 250%.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Multiscale dynamics of charging and plating in graphite electrodes coupling operando microscopy and phase-field modelling

The phase separation dynamics in graphitic anodes significantly affects lithium plating propensity, which is the major degradation mechanism that impairs the safety and fast charge capabilities of automotive lithium-ion batteries. In this study, we present comprehensive investigation employing operando high-resolution optical microscopy combined with non-equilibrium thermodynamics implemented in a multi-dimensional (1D+1D to 3D) phase-field modeling framework to reveal the rate-dependent spatial dynamics of phase separation and plating in graphite electrodes. Here we visualize and provide mechanistic understanding of the multistage phase separation, plating, inter/intra-particle lithium exchange and plated lithium back-intercalation phenomena. A strong dependence of intra-particle lithiation heterogeneity on the particle size, shape, orientation, surface condition and C-rate at the particle level is observed, which leads to early onset of plating spatially resolved by a 3D image-based phase-field model. Moreover, we highlight the distinct relaxation processes at different state-of-charges (SOCs), wherein thermodynamically unstable graphite particles undergo a drastic intra-particle lithium redistribution and inter-particle lithium exchange at intermediate SOCs, whereas the electrode equilibrates much slower at low and high SOCs. These physics-based insights into the distinct SOC-dependent relaxation efficiency provide new perspective towards developing advanced fast charge protocols to suppress plating and shorten the constant voltage regime.

25 ENERGY STORAGE↗
DOE OSTI2023

Diffusion of Sn donors in β-Ga 2 O 3

Diffusion of the n-type dopant Sn in β-Ga 2 O 3 is studied using secondary-ion mass spectrometry combined with hybrid functional calculations. The diffusion of Sn from a Sn-doped bulk substrate with surface orientation (001) into an epitaxial layer is observed after heat treatments in the temperature range of 1050–1250 °C. Calculated formation energies of Sn-related and intrinsic defects show that the migration of Sn is mediated by Ga vacancies ( V Ga ) through the formation and dissociation of intermittent mobile V Ga Sn Ga complexes. The evolution of the Sn concentration vs depth profiles after heat treatments can be well described by a reaction–diffusion model. Using model parameters guided by the hybrid functional calculations, we extract a V Ga Sn Ga complex migration barrier of 3.0 ± 0.4 eV with a diffusion coefficient of 2 × 10 –1 cm 2 /s. The extracted migration barrier is consistent with our theoretical predictions using the nudged elastic band method, which shows migration barriers of 3.42, 3.15, and 3.37 eV for the [100], [010], and [001] directions, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Analytical model for laser-induced transient grating measurements of thermal diffusivity in non-opaque materials

The thermal transport and elastic properties of materials are often measured using the laser-induced transient grating spectroscopy (TGS) technique. The analysis of the TGS signal usually involves fitting well-known expressions, derived assuming the limiting cases of opaque or transparent materials, to the measured data. In this paper, the system of thermoelastic equations is analytically solved for an isotropic homogeneous material assuming finite laser penetration depth, which is an important consideration when the penetration depth is on the order of the acoustic wavelength. The need to use such a solution is discussed and compared to the expression for opaque material. The solution is benchmarked against TGS signal measured on single-crystal silicon with {100} surface orientation and is found to significantly improve the accuracy of the calculated thermal diffusivity as compared to using the expression for opaque material.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Facet-dependent structure and dissociation of water at pristine IrO 2 /water interfaces

Understanding the microscopic structure of water at metal oxide interfaces is crucial for advancing electrocatalysis. IrO 2 , specifically, has shown exceptional activity for electrochemical water oxidation, but we currently lack a fundamental understanding of how the surface structure of IrO 2 impacts water reactivity. In this work, we developed a machine learning potential trained to first-principles accuracy for modeling IrO 2 /water interfaces across different facets: (110), (100), (101), and (001). Using extensive machine learning molecular dynamics simulations, we investigated the spontaneous dissociation of water molecules at these interfaces. Our results reveal a distinct dissociation probability trend: (110) > (100) ≈ (101) > (001), which we attribute primarily to the reaction thermodynamics of surface water dissociation. A strong correlation is observed between the surface Ir–O bond distances and the dissociation probabilities, highlighting the role of surface geometry in modulating reactivity. As a consequence, the interfacial solvation structures and hydrogen bonding environments are dynamically tuned by the varying water dissociation capabilities across facets. This work elucidates how water dissociation energetics depend on surface orientation and interfacial structure, offering atomistic insights into manipulating reaction chemistry at electrocatalytic interfaces.

organic↗
DOE OSTI2023

Andreev reflection at the altermagnet-superconductor interface

Altermagnets are a new class of magnetic materials, which exhibit large spin splitting, but due to the combined spin and real space group symmetry protection maintain zero net macroscopic magnetization. Such a characteristic may prove them to be superior in applications in superconducting heterostructures and thus here we investigate the Andreev reflection at the altermagnet/superconductor interface. We compare and contrast altermagnets to other magnetic materials, revealing qualitative differences in the behavior of altermagnetic junction depending on the Fermi surface orientation. We study the resonant states arising in setups with strong tunneling barriers and show that sensitivity to nonmagnetic disorder is also dependent on the orientation. In conclusion, our results provide a building block for altermagnetic superconducting heterostructures such as Josephson π junctions with superior properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Absence of magnetic order in epitaxial RuO 2 revealed by x-ray linear dichroism

Recently the topic of altermagnetism has attracted tremendous attention, and RuO 2 has been demonstrated to be one of the most promising altermagnetic candidates. However, disputes still remain on the existence of magnetic order in RuO 2 . Here in this work, we employ x-ray linear dichroism (XLD), a widely utilized technique for characterizing antiferromagnets, in conjunction with photoemission electron microscopy and multiple scattering calculation to provide clear evidence of the absence of magnetic order in epitaxial RuO 2 films. The observed XLD signal is nearly invariant with temperature and independent of cooling-field direction, in stark contrast to the substantial magnetic-order-related XLD signal predicted by multiple scattering calculation. This finding strongly suggests a nonmagnetic origin for RuO 2 . Furthermore, we observed significantly distinct XLD signals at the Ru M 3 and O K edges in RuO 2 films grown on TiO 2 substrate with different surface orientations, which can be attributed to the low-symmetry crystal field. In conclusion, these results unequivocally demonstrate the absence of magnetic order in RuO 2 and establish XLD measurement as a robust technique for probing the low-symmetry magnetic materials.

Wang, Siyu [University of Science and Technology o↗
NASA NTRS1972

Space configuration as an explanation for lithology-related cross-polarized radar image anomalies

Three rock types are described that produce dark cross-polarized images on Ka-band imagery: lava flows dating from Pleistocene and Holocene, some Tertiary volcanics, and certain massive sandstones. Their planar surfaces are large with respect to the wavelength of the Ka-band system, yet are small in comparison to the resolution. It is found that only outcrops with proper faceted surface orientations produce significant radar returns showing the dominance of specular reflectors. The omnidirectional attitude of the facets and their wide distribution on the outcrops explains the independence of look-direction that the flat-lying anomalous outcrops exhibit in production of darker cross-polarized images.

Mccauley, J. R.↗
NASA NTRS1972

The particle track record of the lunar surface.

Information about lunar surface history revealed by fossil particle tracks is summarized. Such tracks are the result of damage left in dielectric materials by highly ionizing charged particles including heavy solar and galactic cosmic ray nuclei, heavy nuclei recoiling from cosmic ray induced spallation reactions, and induced- and spontaneous-fission fragments. From the distribution of cosmic ray and spallation tracks in the lunar rock, surface residence times of 1 to 30 million years and rock erosion rates of 1 to 10 A/yr have been determined. Particle tracks also record surface orientation and depth history of the rocks and contain information about ancient solar activity.

Comstock, G. M.↗
NASA NTRS1976

The size frequency distribution and rate of production of microcraters

The paper contends that lunar crater size distributions vary to a degree that cannot be explained by variations in lunar surface orientation of the crater detectors or changes in micrometeoroid flux. In an attempt to investigate this size frequency distribution, a flux of micrometeoroid particles producing 0.1 micron diameter craters of approximately 300/sq cm/steradian/yr was obtained. No anisotropy was observed in the 0.1 micron flux between the ecliptic plane and the normal in the direction of lunar north.

Morrison, D. A.↗
NASA NTRS1977

Distribution and flux of micrometeoroids

The mass distribution, flux, and distribution in space of the micrometeoroid complex at 1 AU are estimated on the basis of data from Apollo 17 rocks and recent calibrations of solar-flare track-production rates. It is found that the size frequency distribution of microcraters on lunar rocks suggests a bimodal mass distribution of micrometeoroids, but the precise form of the curve requires further definition, particularly insofar as the degree of depletion of particles producing craters 10 to 100 microns in diameter is concerned. Variations in slope with crater-diameter or particle-mass increments are shown to indicate that different processes affect one or more particle populations. Fluxes corresponding to varied lunar surface orientation and residence time are calculated, but no striking difference is observed between the flux of submicron-diameter particles with orbits in the plane of the ecliptic and fluxes of particles with orbits normal to the plane in the solar apex direction.

Morrison, D. A.↗
NASA NTRS1977

Solar energy meter

An instrument was developed to continually integrate the energy available in incident light on a specifically oriented surface. The unit was designed for outdoor use in remote locations and is capable of operation over a temperature range of -20 to +60 C with good accuracy. The unit is weather resistant, requires low power, has a high input impedance, is inexpensive, and has a visual readout and an analog output for recording.

Masters, R. M.↗
NASA NTRS1980

Solar insolation model

Computer program SOLINS helps engineers with relatively complex task of choosing best orientation of fixed flat-plate solar collectors for local conditions. Program models average hourly solar insolation on fixed but arbitrarily-oriented surface. Consideration is given to problems of array spacing, shadowing, and use of augmentation reflectors to increase insolation at collector surface.

Smith, J. H.↗
NASA NTRS1980

Mn-53 and Al-26 evidence for solar cosmic ray constancy - An improved model for interpretation

A general, numerical method for calculating activities of solar cosmic ray produced radionuclides at any point within an irregularly shaped lunar rock of known surface contour and lunar surface orientation is described. This method is then used to predict the activities of Mn-53 andAl-26 as a function of postion within lunar rock 68815 for various assumed values of solar cosmic ray flux (J), rigidity (R sub 0), and rock erosion rate (ER). The predicted activities agree with the measured activities of Kohl et al. (1978) when values of R sub 0 = 100 MV, J = 70 p/sq cm-sec (4 pi, E greater than 10 MeV), ER not greater than 1 mm/m.y. and a total exposure time of 2 m.y. are assumed. These values are in agreement with those found for rocks exposed for not less than 10 m.y. and provide no evidence for variation of the average solar cosmic ray parameters between the last 2 and 10 m.y. intervals. When interpreted with the improved model the activity vs. depth profiles for three faces of 68815 show no evidence of SCR anisotropy or differential erosion.

Russ, G. P., III↗