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At least 1,639 records · Page 91

All sources NASA NTRS DOE OSTI

NASA NTRS1980

Hypersonic-helium-flow-field measurements with the resonant Doppler velocimeter

A low density of sodium atoms seeded into a hypersonic helium flow is used to quantitatively determine flow-field properties. By observing fluorescence from a point as a single-mode dye laser is tuned through the sodium D2 line, the absorption profile may be found. This profile is fitted to a properly weighted sum of Voigt functions to yield the velocity, temperature, and pressure at the observation point. The fluorescence is strong enough to use this technique for qualitative flow-field visualization.

Zimmermann, M.↗

NASA NTRS1981

Transport properties for a mixture of the ablation products C, C2, and C3

The ablation of carbon-phenolic heat shields upon entry into the atmosphere of one of the outer planets leads to the injection of large amounts of C, C2, and C3 into the shock layer. These species must be included in the calculation of transport properties in the shock layer. The kinetic theory of gases has been used to obtain accurate results for the transport properties of monatomic carbon. The Hulburt-Hirschelder potential, the most accurate general purpose atom-atom potential for states with an attractive minimum, was used to represent such states and repulsive states were represented by fitting quantum mechanical potential energy curves with the exponential repulsive potential. These results were orientation averaged according to the peripheral force model to obtain transport collision integrals for the C-C2 and C2-C2 interaction. Results for C3 were obtained by ignoring the presence of the central carbon atom. The thermal conductivity, viscosity, and diffusion coefficients for pure C, C2, and C3, and for mixtures of these gases, were then calculated from 1000 K - 25,000 K.

Biolsi, L.↗

NASA NTRS1981

Sodium remote from Io

Measurements of sodium emission lines originating in the middle Jupiter magnetosphere are measured, confirming the wide dispersal of neutral sodium in the Jovian system in at least two distinct manifestations. Candidate neutral transport processes in the context of the observed kinematical signatures are discussed. It is argued that the normal emission feature is produced by sodium atoms on bound elliptical orbits originating in the Io sodium cloud but with apojove in the field of view. Observations of the fast sodium feature indicate that atoms episodically acquire a broad range of line-of-sight velocities above the Jupiter gravitational escape speed and far above the speeds characteristic of surface-sputtered atoms. Three suggested reactions are distinguished according to (1) production rates based on estimated plasmaspheric properties, (2) kinematical signature, and (3) the timing of occurrences of the fast sodium feature.

Brown, R. A.↗

NASA NTRS1991

Measurements of erosion characteristics for metal and polymer surfaces using profilometry

The surfaces of many materials exposed in low earth orbit are modified due to interaction with atomic oxygen. Chemical changes and surface roughening effects can occur which alter optical and other properties. The experiment A0114 contained 128 solid surface samples, half of which were exposed on the front and half on the rear of Long Duration Exposure Facility. Each sample was subjected to many analyses, but only the methods and techniques are described which were used to measure the changes in roughness, erosion depths, and material growth using profilometry.

Christl, Ligia C.↗

NASA NTRS1992

Measurements of erosion characteristics for metal and polymer surfaces using profilometry

The surfaces of many materials exposed in low earth orbit are modified due to interaction with atomic oxygen. Chemical changes and surface roughening effects can occur which alter optical and other properties. The experiment A0114 contained 128 solid surface samples, half of which were exposed on the front and half on the rear of LDEF. Each sample has been subjected to many analyses, but only the methods and techniques used to measure the changes in roughness, erosion depths, and material growth using profilometry are described.

Christl, Ligia C.↗

NASA NTRS1993

Microsheet Glass In Solar Concentrators

Microsheet glass used as highly protective covering material for developmental concentrating reflectors for solar power systems. Together with other materials, possible to fabricate lightweight, highly reflective, accurate, and long-lived concentrators. Desirable properties include durability and smoothness. Glass not affected by ultraviolet radiation, and not degraded by atomic oxygen, found in low orbits around Earth. Though concentrators intended for use in outer space, noteworthy that terrestrial concentrator fabricated with glass sheet 0.7 mm thick.

Richter, Scott W.↗

NASA NTRS1995

Solid film lubricants and thermal control coatings flown aboard the EOIM-3 MDA sub-experiment

Additional experimental data were desired to support the selection of candidate thermal control coatings and solid film lubricants for the McDonnell Douglas Aerospace (MDA) Space Station hardware. The third Evaluation of Oxygen Interactions With Materials Mission (EOIM-3) flight experiment presented an opportunity to study the effects of the low Earth orbit environment on thermal control coatings and solid film lubricants. MDA provided five solid film lubricants and two anodic thermal control coatings for EOIM-3. The lubricant sample set consisted of three solid film lubricants with organic binders one solid film lubricant with an inorganic binder, and one solid film lubricant with no binder. The anodize coating sample set consisted of undyed sulfuric acid anodize and cobalt sulfide dyed sulfuric acid anodize, each on two different substrate aluminum alloys. The organic and inorganic binders in the solid film lubricants experienced erosion, and the lubricating pigments experienced oxidation. MDA is continuing to assess the effect of exposure to the low Earth orbit environment on the life and friction properties of the lubricants. Results to date support the design practice of shielding solid film lubricants from the low Earth orbit environment. Post-flight optical property analysis of the anodized specimens indicated that there were limited contamination effects and some atomic oxygen and ultraviolet radiation effects. These effects appeared to be within the values predicted by simulated ground testing and analysis of these materials, and they were different for each coating and substrate.

Murphy, Taylor J.↗

DOE OSTI2022

Systems and methods for photothermal material

Chinese ink is applied on various materials and stabilized by atomic layer deposition to fabricate solar steam generation devices. The encapsulated ink has excellent photothermal properties and evaporation efficiency under simulated sunlight, holding great promise in solar evaporation device applications.

Yang, Hao-Cheng↗

DOE OSTI2022

Thermal scattering law for structure-dependent-Doppler broadening in FLASSH

Traditional Doppler broadening methods assume that target nuclei velocities follow a Maxwell-Boltzmann distribution which inherently assumes that the atoms are a free gas or that their velocities are independent of each other. This approximation is reasonable at high target temperatures and high neutron energies. However, nuclei are not independent: the lattice temperature and chemical binding will define the atomic motion. The thermal scattering law (i.e., TSL or S(α,β)) is a material property which describes the chemical binding and temperature response in terms of available momentum and energy states. In the thermal energy range, this TSL will define the thermal scattering cross sections. In the resonance region, the TSL offers a first-principles description of the probability distribution function for the velocity of the target nuclei. Using the TSL in Doppler broadening captures the structure of the material consistently from the thermal range into the resonance cross sections. In this work, both traditional free-gas and precise TSL Doppler broadening methods for resonance cross section evaluation have been implemented within the Full Law Analysis Scattering System Hub (FLASSH). This framework provides a generalized formulation for evaluating low-lying resonance data and streamlines nuclear data processing methods. TSL data generated using ab initio lattice dynamics (AILD) can be used to broaden cross section libraries in ENDF format for high-fidelity input into reactor physics calculations. These capabilities are demonstrated for the lowest absorption resonances of {sup 238}U in UO{sub 2}, UC and UN. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Nature of native atomic defects in ZrTe 5 and their impact on the low-energy electronic structure

Over the past decades, investigations of the anomalous low-energy electronic properties of ZrTe 5 have reached a wide array of conclusions. An open question is the growth method's impact on the stoichiometry of ZrTe 5 samples, especially given the very small density of states near its chemical potential. In this work, we report on high-resolution scanning tunneling microscopy and spectroscopy measurements performed on samples grown via different methods. Using density functional theory calculations, we identify the most prevalent types of atomic defects on the surface of ZrTe 5 , namely, Te vacancies and intercalated Zr atoms. Finally, we precisely quantify their density and outline their role as ionized defects in the anomalous resistivity of this material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Precise Modulation of CO 2 Sorption in Ti 8 Ce 2 –Oxo Clusters: Elucidating Lewis Acidity of the Ce Metal Sites and Structural Flexibility

Investigating the structure-property correlation in porous materials is a fundamental and consistent focus in various scientific domains, especially within sorption research. Metal oxide clusters with capping ligands, characterized by intrinsic cavities formed through specific solid-state packing, demonstrate significant potential as versatile platforms for sorption investigations due to their precisely tunable atomic structures and inherent long-range order. This study presents a series of Ti 8 Ce 2 -oxo clusters with subtle variations in coordinated linkers and explores their sorption behavior. Notably, Ti 8 Ce 2 -BA (BA denotes benzoic acid) manifests a distinctive two-step profile during CO 2 adsorption, accompanied by a hysteresis loop. This observation marks a new instance within the metal oxide cluster field. Of intrigue, the presence of unsaturated Ce(IV) sites was found to be correlated with the stepped sorption property. Moreover, the introduction of an electrophilic fluorine atom, positioned ortho or para to the benzoic acid, facilitated precise control over gate pressure and stepped sorption quantities. Advanced in-situ techniques systematically unraveled the underlying mechanism behind this unique sorption behavior. The findings elucidate that robust Lewis base-acid interactions are established between CO 2 molecules and Ce ions, consequently altering the conformation of coordinated linkers. Conversely, the F atoms primarily contribute to gate pressure variation by influencing the Lewis acidity of the Ce sites. This research advances the understanding in fabricating metal-oxo clusters with structural flexibility and provides profound insights into their host-guest interaction motifs. Furthermore, these insights hold substantial promise across diverse fields and offer valuable guidance for future adsorbent designs grounded in fundamental theories of structure-property relationships.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Development of Multimodal Few-Shot Analytics for Electron Micrographs

Recent advances in materials data analytics have provided new avenues for determining process-structure-property (PSP) linkages in a variety of materials. Machine learning techniques including few-shot learning have increased the efficiency of classifying microscopy images for the purposes of material characterization. Attempts at creating a multimodal approach can provide further improvements to current models and help extract more salient features from data. In this vein, raw spectrum data was taken to provide an additional modality to our current pyCHIP classifier. Modifications in segmentation also show potential in improving the accuracy of the pyCHIP classifier. Classifier output was analyzed using network graphs and unsupervised clustering algorithms such as spectral clustering to detect better segmentation methods than the current “chipping” approach. We suggest that the chip selection process can be automated in the future using a combination of these techniques to enable high-throughput analyses.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Effect of Co on twin formation and magnetic properties of Sm(Fe,Ti,V) 12 alloys

Transferring the excellent intrinsic magnetic properties of SmFe 12 -based compounds to their extrinsic properties remains the main challenge in the development of high-performance SmFe12-based permanent magnets. Twin formation is one of the reasons for the inability to achieve high coercivity and remanence. Here we have shown that the addition of Co in Sm(Fe 1-x Co x ) 10–11 M 1–2 alloys, where M=Ti and V, leads to an increase in twin density. Microstructural characterizations revealed that the atomic arrangement in the twin boundary changes depending on the stabilizing element, which directly influences the local intrinsic magnetic properties. Theoretical investigations showed that the critical grain size at which twin formation can be hindered by grain size reduction decreases when the stabilizer changes from V to Ti. Furthermore, this study shows that the alloy composition influences not only the intrinsic magnetic properties but also the twin formation energy and its grain size dependence, crucial for the design of SmFe12-based permanent magnets.

36 MATERIALS SCIENCE↗

NASA NTRS2019

Technology Development for the Modification of High Aspect Ratio Geometries for Thermal and Environmental Control

A key technology development driver in environmental control systems and next generation optics are discussed utilizing thin film development borrowed from the semiconductor industry. The optical and physical properties of spacecraft radiator coatings are dictated by orbital environmental conditions. For example, coatings must adequately dissipate charge buildup when orbital conditions, such as polar, geostationary or gravity neutral, result in surface charging. Current dissipation techniques include depositing a layer of ITO (indium tin oxide) on the radiator surface in a high temperature process. The application of these enhanced coatings must be such that the properties in question are tailored to mission-specific requirements. The multi-billion-dollar semiconductor industry has adopted Atomic Layer Deposition (ALD) for self-assembly and atomic-scale placement. ALD is a cost-effective nanoadditive-manufacturing technique that allows for the conformal coating of substrates with atomic control in a benign temperature and pressure environment. By using ALD, modification of these coatings can be accomplished during coating application preprocessing. The preprocessing is rendered directly on the coating dry pigment before binding. Through the introduction of paired precursor gases, thin films can be deposited on a myriad of substrates ranging from glass, polymers, aerogels, metals, powders, and other high aspect-ratio micro- and nano- structures. By providing atomic-level control, where single layers of atoms can be deposited, the fabrication of metal transparent films, precise nano-laminates, and coatings of nano-channels and pores is achievable. A method has been demonstrated for the ALD of In2O3 and films on a variety of substrates from Si(100) wafers, glass slides, and on Z93P pigments resulting in a direct spaceflight application. Results will be presented that verify the chemical composition of ALD pigments and charge dissipation properties when the pigment goes through its binding and coating process and we present early results of ALD for carbon nanotube formation and encapsulation.

Dwivedi, Vivek H.↗

NASA NTRS1995

Degradation of FEP thermal control materials returned from the Hubble Space Telescope

After an initial 3.6 years of space flight, the Hubble Space Telescope was serviced through a joint effort with the NASA and the European Space Agency. Multi-layer insulation (MLI) was retrieved from the electronics boxes of the two magnetic sensing systems (MSS), also called the magnetometers, and from the returned solar array (SA-I) drive arm assembly. The top layer of each MLI assembly is fluorinated ethylene propylene (FEP, a type of Teflon). Dramatic changes in material properties were observed when comparing areas of high solar fluence to areas of low solar fluence. Cross sectional analysis shows atomic oxygen (AO) erosion values up to 25.4 mu m (1 mil). Greater occurrences of through-thickness cracking and surface microcracking were observed in areas of high solar exposure. Atomic force microscopy (AFM) showed increases in surface microhardness measurements with increasing solar exposure. Decreases in FEP tensile strength and elongation were measured when compared to non-flight material. Erosion yield and tensile results are compared with FEP data from the Long Duration Exposure Facility. AO erosion yield data, solar fluence values, contamination, micrometeoroid or debris impact sites, and optical properties are presented.

Zuby, Thomas M.↗

DOE OSTI2025

Quantum graph models for transport in filamentary switching

The formation of metallic nanofilaments bridging two electrodes across an insulator is a mechanism for resistive switching. Examples of such phenomena include atomic synapses, which constitute a distinct class of memristive devices the behavior of which is closely tied to the properties of the filament. Until recently, experimental investigation of the low-temperature regime and quantum transport effects has been limited. However, with growing interest in understanding the true impacts of the filament on device conductance, comprehending quantum effects has become crucial for quantum neuromorphic hardware. Here, we discuss quantum transport resulting from filamentary switching in a narrow region where the continuous approximation of the contact is not valid, and only a few atoms are involved. In this scenario, the filament can be represented by a graph depicting the adjacency of atoms and the overlap between atomic orbitals. Using the theory of quantum graphs with locally diffusive node scattering, we calculate the scattering amplitude of charge carriers on this graph and explore the interplay between filamentary formation and quantum transport effects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

SULI Intern Final Report: Computationally Investigating Hydrogen Thermo-Diffusion in Yttrium Hydride Using Multiscale Methods

The renaissance of nuclear energy has arrived, heralding an age of abundant inexpensive clean energy, and renewed space exploration. In nuclear-powered spacecraft and microreactors, safety and size are of utmost importance. Yttrium Hydride (YHx) is being researched for its utility as a neutron moderator in nuclear reactors; the hydrogen in YHx slows down neutrons, enabling a continuous nuclear reaction in the reactor. This has the benefit of allowing reactors to be more safe, compact, and efficient. The goal of this effort is to computationally predict the coefficient of temperature-dependent hydrogen diffusion within YHx, the Soret coefficient. This parameter is essential for determining the safe operating modes of YHx moderators. Zirconium Hydride (ZrHx) is used in the Training, Research, Isotopes, General Atomics (TRIGA) reactor, is the reference material for these calculations. In this work, nanoscale atomic modeling in the Vienna Ab initio Simulation Package (VASP) is combined with the mesoscale finite element phase-field module in the Multiphysics Object-Oriented Simulation Environment (MOOSE); this culminates in a new multiscale computational method to simulate Soret diffusion of hydrogen in YHx. This data is useful for predicting experimental outcomes. This workflow involves convergence testing followed by static, Nudged Elastic Band (NEB), Quasi-Harmonic Approximation (QHA), and Molecular Dynamics (MD) calculations - linked with phase field simulation. NEB simulates hydrogen migration, while QHA and MD predict temperature-dependent properties. The static calculations align with literature, and preliminary NEB and QHA calculations yield accurate results. Once the atomic calculations are complete, we will incorporate Electron Backscatter Diffraction (EBSD) images and VASP-generated parameters into the phase field module to simulate intra- and intergranular transport of hydrogen in ZrHx and YHx. Future research will extend our approach to fuel-moderator materials systems such as Uranium-Yttrium Hydride (U-YHx). This work contributes to the development of advanced nuclear energy solutions for space travel.

36 - MATERIALS SCIENCE↗

DOE OSTI2025

Pyrolysis in Molten Salts Converts Plastics into a Mesoporous Electrocatalyst with a High Density of Atomic Fe–N–C Active Site

Upcycling plastic waste into value-added products is a promising strategy for both economic and environmental sustainability. However, achieving control over structure–property correlations during the upcycling process remains challenging. Here, in this study, we investigate the modulation of active site formation during pyrolytic conversion of plastics to carbon by composition-controlled molten salts. Using melamine formaldehyde (MF) foams as a precursor, we demonstrate that their pyrolysis in eutectic chloride molten salts with Fe 2+ , Na + , and K + ions directs the carbonization process toward the formation of mesoporous functional carbon enriched with atomically dispersed Fe–N–C sites, which are well-known for their catalytic activity in oxygen reduction reaction (ORR). Compared to pyrolysis in the FeCl 2 -only salt, the incorporation of alkali metal ions (Na + , K + ) in the eutectic mixture facilitates nitrogen retention in the carbon matrix and modulates iron speciation. This synergistic environment promotes a higher density and more uniform dispersion of Fe–N–C moieties within the carbon matrix. Consequently, the resulting catalyst exhibits a high surface area, hierarchical porosity, and improved electrochemical properties. When tested as an ORR catalyst, the Fe–N–C-enriched catalyst delivers a high half-wave potential (E 1/2 = 0.875 V vs RHE) with nearly exclusive 4e – pathway. These properties are comparable to those of commercial Pt/C catalysts, along with improved stability.

Fe−N−C active sites↗