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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Computational Theory Applied to Nanostructures (Final Report)

Within the nanoscale, phenomena occur that are characteristic of neither the atomic limit, nor the macroscopic limit. In particular, properties that are intensive at the macroscopic scale become size dependent at the nanoscale. These phenomena can have direct consequence for understanding and characterizing materials used in electronic, optical, and micro-mechanical applications related to energy science and technologies. To capitalize properly on predicting and understanding such phenomena in this nano regime, a deeper understanding of the quantum properties of materials will be required. The objective of our research program was to advance the field in computational modeling, analysis and understanding of materials at the nano scale, both in terms of dimensionality and quantum confinement. We employed a multidisciplinary approach, drawing from physics, materials science, chemical engineering and computer science. This research will provide new knowledge, computational techniques, and provide high-potential links across all these disciplines. Over sixty papers were published during the period in question. Ten of the papers were published in high impact journals such as Nano Letters, Nature Communications and Physical Review Letters.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Elucidation of the physical factors that control activated transport of penetrants in chemically complex glass-forming liquids

Understanding the activated transport of penetrant or tracer atoms and molecules in condensed phases is a challenging problem in chemistry, materials science, physics, and biophysics. Many angstrom- and nanometer-scale features enter due to the highly variable shape, size, interaction, and conformational flexibility of the penetrant and matrix species, leading to a dramatic diversity of penetrant dynamics. Based on a minimalist model of a spherical penetrant in equilibrated dense matrices of hard spheres, a recent microscopic theory that relates hopping transport to local structure has predicted a novel correlation between penetrant diffusivity and the matrix thermodynamic dimensionless compressibility, S 0 ( T ) (which also quantifies the amplitude of long wavelength density fluctuations), as a consequence of a fundamental statistical mechanical relationship between structure and thermodynamics. Moreover, the penetrant activation barrier is predicted to have a factorized/multiplicative form, scaling as the product of an inverse power law of S 0 ( T ) and a linear/logarithmic function of the penetrant-to-matrix size ratio. This implies an enormous reduction in chemical complexity that is verified based solely on experimental data for diverse classes of chemically complex penetrants dissolved in molecular and polymeric liquids over a wide range of temperatures down to the kinetic glass transition. The predicted corollary that the penetrant diffusion constant decreases exponentially with inverse temperature raised to an exponent determined solely by how S 0 ( T ) decreases with cooling is also verified experimentally. Our findings are relevant to fundamental questions in glassy dynamics, self-averaging of angstrom-scale chemical features, and applications such as membrane separations, barrier coatings, drug delivery, and self-healing.

Science & Technology - Other Topics↗
NASA NTRS2011

The International Space Station: A National Science Laboratory

After more than a decade of assembly missions and on the heels of the final voyage of Space Shuttle Discovery, the International Space Station (ISS) has reached assembly completion. With visiting spacecraft now docking with the ISS on a regular basis, the Station now serves as a National Laboratory to scientists back on Earth. ISS strengthens relationships among NASA, other Federal entities, higher educational institutions, and the private sector in the pursuit of national priorities for the advancement of science, technology, engineering, and mathematics. In this lecture we will explore the various areas of research onboard ISS to promote this advancement: (1) Human Research, (2) Biology & Biotechnology, (3) Physical & Material Sciences, (4) Technology, and (5) Earth & Space Science. The ISS National Laboratory will also open new paths for the exploration and economic development of space.

Giblin, Timothy W.↗
NASA NTRS2012

The International Space Station: A National Laboratory

After more than a decade of assembly missions and the end of the space shuttle program, the International Space Station (ISS) has reached assembly completion. With other visiting spacecraft now docking with the ISS on a regular basis, the orbiting outpost now serves as a National Laboratory to scientists back on Earth. The ISS has the ability to strengthen relationships between NASA, other Federal entities, higher educational institutions, and the private sector in the pursuit of national priorities for the advancement of science, technology, engineering, and mathematics. The ISS National Laboratory also opens new paths for the exploration and economic development of space. In this presentation we will explore the operation of the ISS and the realm of scientific research onboard that includes: (1) Human Research, (2) Biology & Biotechnology, (3) Physical & Material Sciences, (4) Technology, and (5) Earth & Space Science.

Giblin, Timothy W.↗
NASA NTRS1987

Tribology theory versus experiment

Tribology, the study of friction and wear of materials, has achieved a new interest because of the need for energy conservation. Fundamental understanding of this field is very complex and requires a knowledge of solid-state physics, material science, chemistry, and mechanical engineering. This paper is meant to be didactic in nature and outlines some of the considerations needed for a tribology research program. The approach is first to present a simple model, a field emission tip in contact with a flat surface, in order to elucidate important considerations, such as contact area, mechanical deformations, and interfacial bonding. Then examples from illustrative experiments are presented. Finally, the current status of physical theories concerning interfacial bonding are presented.

Ferrante, John↗
DOE OSTI2022

Unconventional excitonic states with phonon sidebands in layered silicon diphosphide

Complex correlated states emerging from many-body interactions between quasiparticles (electrons, excitons and phonons) are at the core of condensed matter physics and material science. In low-dimensional materials, quantum confinement affects the electronic, and subsequently, optical properties for these correlated states. Here, by combining photoluminescence, optical reflection measurements and ab initio theoretical calculations, we demonstrate an unconventional excitonic state and its bound phonon sideband in layered silicon diphosphide (SiP 2 ), where the bound electron–hole pair is composed of electrons confined within one-dimensional phosphorus–phosphorus chains and holes extended in two-dimensional SiP 2 layers. The excitonic state and emergent phonon sideband show linear dichroism and large energy redshifts with increasing temperature. Our ab initio many-body calculations confirm that the observed phonon sideband results from the correlated interaction between excitons and optical phonons. With these results, we propose layered SiP2 as a platform for the study of excitonic physics and many-particle effects.

36 MATERIALS SCIENCE↗
DOE OSTI2024

2024 roadmap on magnetic microscopy techniques and their applications in materials science

Considering the growing interest in magnetic materials for unconventional computing, data storage, and sensor applications, there is active research not only on material synthesis but also characterisation of their properties. In addition to structural and integral magnetic characterisations, imaging of magnetisation patterns, current distributions and magnetic fields at nano- and microscale is of major importance to understand the material responses and qualify them for specific applications. In this roadmap, we aim to cover a broad portfolio of techniques to perform nano- and microscale magnetic imaging using superconducting quantum interference devices, spin centre and Hall effect magnetometries, scanning probe microscopies, x-ray- and electron-based methods as well as magnetooptics and nanoscale magnetic resonance imaging. The roadmap is aimed as a single access point of information for experts in the field as well as the young generation of students outlining prospects of the development of magnetic imaging technologies for the upcoming decade with a focus on physics, materials science, and chemistry of planar, three-dimensional and geometrically curved objects of different material classes including two-dimensional materials, complex oxides, semi-metals, multiferroics, skyrmions, antiferromagnets, frustrated magnets, magnetic molecules/nanoparticles, ionic conductors, superconductors, spintronic and spinorbitronic materials.

2D materials↗
DOE OSTI2023

Externally Heated Diamond ANvil Cell Experimentation (EH-DANCE) for studying materials and processes under extreme conditions

Externally heated diamond anvil cells provide a stable and uniform thermal environment, making them a versatile device to simultaneously generate high-pressure and high-temperature conditions in various fields of research, such as condensed matter physics, materials science, chemistry, and geosciences. The present study features the Externally Heated Diamond ANvil Cell Experimentation (EH-DANCE) system, a versatile configuration consisting of a diamond anvil cell with a customized microheater for stable resistive heating, bidirectional pressure control facilitated by compression and decompression membranes, and a water-cooled enclosure suitable for vacuum and controlled atmospheres. This integrated system excels with its precise control of both pressure and temperature for mineral and materials science research under extreme conditions. Here, we showcase the capabilities of the system through its successful application in the investigation of the melting temperature and thermal equation of state of high-pressure ice-VII at temperatures up to 1400 K. The system was also used to measure the elastic properties of solid ice-VII and liquid H 2 O using Brillouin scattering and Raman spectra of carbonates using Raman spectroscopy, highlighting the potential of the EH-DANCE system in high-pressure research.

Instruments & Instrumentation↗
DOE OSTI2025

Unraveling electronic correlations in warm dense quantum plasmas

The study of matter at extreme densities and temperatures has emerged as a highly active frontier at the interface of plasma physics, material science and quantum chemistry with relevance for planetary modeling and inertial confinement fusion. A particular feature of such warm dense matter is the complex interplay of Coulomb interactions, quantum effects, and thermal excitations, making its rigorous theoretical description challenging. Here, we demonstrate how ab initio path integral Monte Carlo simulations allow us to unravel this intricate interplay for the example of strongly compressed beryllium, focusing on two X-ray Thomson scattering data sets obtained at the National Ignition Facility. We find excellent agreement between simulation and experiment with a very high level of consistency between independent observations without the need for any empirical input parameters. Our results call into question previously used chemical models, with important implications for the interpretation of scattering experiments and radiation hydrodynamics simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Concentric core-shell tracks and spectroscopic properties of SrTiO 3 under intense electronic excitation

A deeper understanding of the intrinsic link between the irradiation-induced microstructures and the corresponding spectroscopic properties is becoming increasingly attractive for the research fields of materials science, physics, and information technology. In this work, the structural damage response, spectroscopic features, and associated physical mechanisms of SrTiO 3 single crystals under swift heavy ion irradiation were comparatively analyzed using a combination of experimental and theoretical approaches. Corresponding to 0.11–5.00 MeV/u ion irradiation with electronic energy loss ranging from 4.0 to 29.3 keV/nm, the inelastic thermal spike calculations combined with molecular dynamics simulations are compared with the experimental observations, revealing the track fine structures (individual spherical defects with a disordered region, and discontinuous and continuous tracks consisting of an amorphous core and a disordered outer shell) and demonstrating the dominant effects of the deposition energy and lattice temperature on track damage formation and evolution; thus, two essential thresholds for defect formation of ~0.60 eV/atom and amorphous region formation of ~1.81 eV/atom were identified to better describe the concentric core-shell track structure. The enhanced nanohillock formation in the surface region is attributed to the combined action of kinetic and potential energy depositions, and the fluence dependence in regulating the hillock dimensions is also presented. The measured refractive index profiles along different crystal axes further indicate the anisotropy of irradiation-induced lattice expansion. With increasing ion fluence and damage level, the intrinsic bandgap gradually decreased, and the concentration of additional radiative recombination centers (1.81 eV, 2.31 eV, and 2.42 eV) accordingly increased in the SrTiO 3 crystal, providing the possibility of regulating related defects to achieve tunable/selective photon emission for more critical technological applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Extensive 3D mapping of dislocation structures in bulk aluminum

Abstract Thermomechanical processing such as annealing is one of the main methods to tailor the mechanical properties of materials, however, much is unknown about the reorganization of dislocation structures deep inside macroscopic crystals that give rise to those changes. Here, we demonstrate the self-organization of dislocation structures upon high-temperature annealing in a mm-sized single crystal of aluminum. We map a large embedded 3D volume ( $$100\times 300\times 300$$ 100 × 300 × 300 $$\upmu$$ μ m $$^3$$ 3 ) of dislocation structures using dark field X-ray microscopy (DFXM), a diffraction-based imaging technique. Over the wide field of view, DFXM’s high angular resolution allows us to identify subgrains, separated by dislocation boundaries, which we identify and characterize down to the single-dislocation level using computer-vision methods. We demonstrate how even after long annealing times at high temperatures, the remaining low density of dislocations still pack into well-defined, straight dislocation boundaries (DBs) that lie on specific crystallographic planes. In contrast to conventional grain growth models, our results show that the dihedral angles at the triple junctions are not the predicted 120 $$^{\circ }$$ ∘ , suggesting additional complexities in the boundary stabilization mechanisms. Mapping the local misorientation and lattice strain around these boundaries shows that the observed strain is shear, imparting an average misorientation around the DB of $$\approx$$ ≈ 0.003 to 0.006 $$^{\circ }$$ ∘ .

36 MATERIALS SCIENCE↗
DOE OSTI2022

AtomAI framework for deep learning analysis of image and spectroscopy data in electron and scanning probe microscopy

Over the past several decades, electron and scanning probe microscopes have become critical components of condensed matter physics, materials science and chemistry research. At the same time, the infrastructure for establishing a connection between microscopy observations and materials behaviour over a broader parameter space is lacking. In this work, we introduce AtomAI, an open-source software package bridging instrument-specific Python libraries, deep learning and simulation tools into a single ecosystem. AtomAI allows direct applications of deep neural networks for atomic and mesoscopic image segmentation converting image and spectroscopy data into class-based local descriptors for downstream tasks such as statistical and graph analysis. For atomically resolved imaging data, the output is types and positions of atomic species, with an option for subsequent refinement. AtomAI further allows the implementation of a broad range of image and spectrum analysis functions, including invariant variational autoencoders for disentangling structural factors of variation and im2spec type of encoder–decoder models for mapping structure–property relationships. Finally, our framework allows seamless connection to the first principles modelling with a Python interface on the inferred atomic positions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effect of aspect ratio on plasma response to resonant magnetic perturbations in tokamak devices

A systematic numerical study is carried out, computing and comparing the plasma response to the resonant magnetic perturbation (RMP) field, applied for controlling edge localized modes (ELMs), in a series of tokamak plasmas with varying aspect ratio and utilizing the MARS-F code. The aspect ratio is scanned either by varying the plasma major radius at a fixed minor radius or by varying the latter while fixing the former. Both approaches yield similar results when compared in terms of quantities with proper normalizations. In general, a non-monotonic dependence of the resonant response field (normalized by the vacuum counterpart) near the plasma edge is found with varying aspect ratio, indicating that a given ELM control coil current configuration strongly favors plasmas with a certain aspect ratio. This optimal aspect ratio, on the other hand, depends on the toroidal as well as poloidal (i.e., coil phasing) spectra of the applied RMP field. The equilibrium (edge) safety factor, the plasma shape, and the plasma toroidal flow are all fixed to ensure that the effects identified here are predominantly due to the plasma aspect ratio.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1961

Research Summary No. 36-9

Nuclear physics, materials science, propulsion, telecommunication, guidance, and systems analysis

Source record↗
NASA NTRS1976

NASA Tech Briefs Index, 1976

Abstracts of new technology derived from the research and development activities of the National Aeronautics and Space Administration are presented. Emphasis is placed on information considered likely to be transferrable across industrial, regional, or disciplinary lines. Subject matter covered includes: electronic components and circuits; electronic systems; physical sciences; materials; life sciences; mechanics; machinery; fabrication technology; and mathematics and information sciences.

Source record↗
NASA NTRS1978

NASA Tech Briefs Index, 1978

Approximately 601 announcements of new technology derived from the research and development activities of the National Aeronautics and Space Administration are presented. Emphasis is placed on information considered likely to be transferrable across industrial, regional, or disciplinary lines. Subject matter covered includes: electronic components and circuits; electron systems; physical sciences; materials; life sciences; mechanics; machinery; fabrication technology; and mathematics and information sciences.

Source record↗
NASA NTRS1979

NASA Tech Briefs Index, 1979

Approximately 593 announcements of new technology derived from the research and development activities of NASA are presented. Emphasis is placed on information considered likely to be transferrable across industrial, regional, or disciplinary lines. Subject matter covered includes: electronic components and circuits; electronic systems; physical sciences; materials; life sciences' mechanics; machinery; fabrication technology; and mathematics and information sciences.

Source record↗
NASA NTRS1980

NASA Tech Briefs Index, 1980, vol. 5 nos. 1-4

Approximately 558 announcements of new technology derived from the research and development activities of NASA are presented. Emphasis is placed on information considered likely to be transferrable across industrial, regional, or disciplinary lines. Subject matter covered includes: electronic components and circuits; electronic systems; physical sciences; materials; life sciences; mechanics; machinery; fabrication technology; and mathematics and information sciences.

Source record↗