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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
NASA NTRS1976

Production of Ne Auger electrons by Ne/+/ bombardment of Mg and Al surfaces

A description is given of experiments which provide evidence for the production of an inner shell vacancy in the Ne by the asymmetric Ne-Mg and Ne-Al collision. In addition, autoionization states of neutral Ne have been observed. These states are to be distinguished from the more usual case in Auger electron spectroscopy of de-excitation of an ion with a core vacancy. The experiments involved the bombardment of Mg and Al surfaces with Ne(+) ions. A LEED-Auger system equipped with an ion gun and a four-grid retarding potential analyzer operated in the usual dN(E)/dE mode was used.

Ferrante, J.↗
NASA NTRS1979

Charge equilibrium and radiation of low-energy cosmic rays passing through interstellar medium

The charge equilibrium and radiation of an oxygen and an iron beam in the MeV per nucleon energy range, representing a typical beam of low-energy cosmic rays passing through the interstellar medium, are considered. Electron loss of the beam has been taken into account by means of the first Born approximation, allowing for the target atom to remain unexcited or to be excited to all possible states. Electron-capture cross sections have been calculated by means of the scaled Oppenheimer-Brinkman-Kramers approximation, taking into account all atomic shells of the target atoms and capture into all excited states of the projectile. The capture and loss cross sections are found to be within 20%-30% of the existing experimental values for most of the cases considered. Radiation of the beam due to electron capture into the excited states of the ion, collisional excitation, and collisional inner-shell ionization, taking into account the fluorescence yield of the ions, has been considered. Effective X-ray production cross sections and multiplicities for the most energetic X-ray lines emitted by the Fe and O beams have been calculated, and error estimates made for the results.

Rule, D. W.↗
NASA NTRS1990

Ionization processes in collisions of open-shell atoms. III - The autoionizing states of nitrogen

Results of a study of the energy spectra of electrons produced in collisions of N atoms with inert gases at low keV energies are reported. Ionization here is partly due to production of the (1Dnl) autoionizing states of nitrogen and partly due to another mechanism, which is presumably quasi molecular Auger ionization. A discussion of the assignments of the autoionizing states is presented.

Boumsellek, S.↗
DOE OSTI2022

Cryo-electron Microscopy of Adeno-associated Virus

Adeno-associated virus (AAV) has a single-stranded DNA genome encapsidated in a small icosahedrally symmetric protein shell with 60 subunits. AAV is the leading delivery vector in emerging gene therapy treatments for inherited disorders, so its structure and molecular interactions with human hosts are of intense interest. A wide array of electron microscopic approaches have been used to visualize the virus and its complexes, depending on the scientific question, technology available, and amenability of the sample. Approaches range from subvolume tomographic analyses of complexes with large and flexible host proteins to detailed analysis of atomic interactions within the virus and with small ligands at resolutions as high as 1.6 Å. Analyses have led to the reclassification of glycan receptors as attachment factors, to structures with a new-found receptor protein, to identification of the epitopes of antibodies, and a new understanding of possible neutralization mechanisms. AAV is now well-enough characterized that it has also become a model system for EM methods development. Heralding a new era, cryo-EM is now also being deployed as an analytic tool in the process development and production quality control of high value pharmaceutical biologics, namely AAV vectors.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1988

Counter-streaming electrons at the geomagnetic equator near 9 earth radii

AMPTE/CEE observations are used to study short-lived, highly anisotropic electron distributions in the region of the equatorial magnetosphere bewtween 6.6 earth radii and the CCE apogee at 8.8 earth radii. Intense bursts of highly collimated counterstreaming electrons were observed at keV energies with durations of a few tens of seconds to a few minutes near the geomagnetic equator on L-shells that intersect the high-latitude ionosphere in the region normally associated with the auroral zone. It is found that the counterstreaming electrons at energies below the peak energy are accompanied by simultaneous deep depressions of the locally mirroring fluxes. It is suggested that these equatorial electrons may result from the release of auroral electrons trapped beneath the auroral accelerating potentials at lower altitudes along the same magnetic flux tubes.

Klumpar, D. M.↗
DOE OSTI2026

A Novel and Scalable Method for Microencapsulating Salt Hydrate Phase Change Materials in Core–Shell Fibers

Phase change materials (PCMs) are in high demand for applications such as thermal energy storage in buildings, electronics cooling, and thermal management of electric vehicle batteries and data centers. Among these materials, salt hydrate PCMs are particularly attractive due to their high thermal energy storage capacity and low cost. However, they suffer from two major issues: leakage in the melted phase and phase segregation during phase transitions. Microencapsulation is the primary process capable of addressing both of these challenges. However, there is no reliable or scalable method available for microencapsulating salt hydrate PCMs. As a result, the full potential of salt hydrates for building and data center applications has yet to be realized. In this work, we present an innovative method for the microencapsulation of salt hydrate PCMs using a co‐axial pushing technique. This process creates core–shell fibers, with the salt hydrate as the core and a polymer as the shell. Our approach demonstrates strong potential for scalable microencapsulation of salt hydrate PCMs. In conclusion, achieving scalability could enable their widespread use in applications such as data center cooling, battery thermal management, and building climate control.

Sharma, Jaswinder [Oak Ridge National Laboratory (↗
DOE OSTI2024

Integration of layered group IV selenides: From SnSe–SnSe 2-x S x core-shell crystals to complex (SnSe–SnSe 2-x S x )-GeSe van der waals heterostructures

The layered semiconductor tin selenide (SnSe) has received extensive interest due to its promising thermoelectric and ferroelectric properties. Integrating SnSe with other layered crystals in heterostructures can enable the modification of charge- and thermal transport, electrical polarization, and other properties such as chemical stability, optoelectronics, and photonics. Here, we demonstrate the vapor transport synthesis of single-crystalline SnSe monochalcogenide flakes that are spontaneously encapsulated in a thin layered SnSe 2-x S x dichalcogenide shell. In a second growth step, such SnSe-SnSe 2-x S x heterostructures are integrated with the monochalcogenide GeSe, which is laterally stitched to the SnSe side facets while preserving the dichalcogenide shell across the basal facets. This architecture is confirmed by optical microscopy, electron microscopy and diffraction, energy dispersive X-ray and Raman spectroscopies, as well as cathodoluminescence spectroscopy. Furthermore, the results extend our capabilities for materials integration by forming complex heterostructures with both vertical van der Waals interfaces and covalent lateral interfaces between layered semiconductors.

2D layered crystals↗
DOE OSTI2026

Unveiling Swift Heavy Ion Track Morphology in Sr-Based High-Entropy Perovskites

The incorporation of multiple cations on a single lattice site in the high-entropy oxides is considered the key driving factor for modifying the known atomic-level response to energetic ion irradiation due to the presence of structural disorder; however, these effects are not well-understood yet. In this work, we present atomic-level insight into irradiation-induced nanoscale phase transformations in a perovskite-structured high-entropy oxide, Sr(Zr 0.2 Sn 0.2 Ti 0.2 Hf 0.2 Nb 0.2 )O 3 (Sr(HE)O 3 ), subjected to 774 MeV swift Xe heavy ions, where damage is dominated by inelastic ion−lattice interactions. While these ions generally are known to create nanoscale disordered channels, “ion tracks”, along the penetration direction in the material, this study shows the formation of discontinuous and partially recrystallized ion tracks in Sr(HE)O 3 . Compared to SrTiO 3 irradiated under identical energy loss conditions, the ion tracks in Sr(HE)O 3 exhibit significantly reduced diameters and a markedly different interfacial structure. Notably, the crystalline−amorphous interface in Sr(HE)O 3 shows minimal lattice distortion, confined to approximately 2−3 monolayers, in contrast to the extended disordered shell commonly observed in SrTiO 3 . Using in situ atomic-resolution electron microscopy, we further demonstrate that the amorphous/disordered regions within Sr(HE)O 3 ion tracks remain highly stable under electron irradiation, whereas tracks in SrTiO 3 readily recrystallize. This enhanced stability is attributed to the dominance of structural and chemical complexity arising from multiple B-site cations, which suppress defect migration and templated recrystallization driven by electronic excitations and local heating. Overall, this study highlights how high-entropy oxide chemistry fundamentally reshapes irradiation damage evolution, offering insights into defect formation and phase stability under extreme conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Abrupt structural transition in exotic molybdenum isotopes unveils an isospin-symmetric island of inversion

Like electrons in atoms, protons and neutrons in nuclei occupy orbitals in a shell structure with energy gaps at magic numbers. Radioactive-beam experiments revealed the disappearance of magic numbers in some neutron-rich isotopes. In these nuclei, configurations involving particles excited across the shell gap gain correlation energy, becoming the ground state. Neutron-rich regions of the nuclear chart that exhibit this property are known as “Islands of Inversion”. Here we present the lifetime measurement of the first 2 + states in 84 Mo (N = Z) and 86 Mo (N = Z + 2) revealing an unexpected sharp structural change between them defining the edge of the region of deformation around 80 Zr. Similarly to the neutron-rich N = 40 Island of Inversion near 64 Cr where cross-shell excitations dominate, we identify this region as an Island of Inversion with symmetrical proton and neutron excitations that we term “Isospin-Symmetric Island of Inversion”. Three-nucleon forces are suggested to drive Mo isotope structural changes.

experimental nuclear physics↗
NASA NTRS1983

Directional velocity analyzer for measuring electron distribution functions in plasmas

A directional velocity analyzer has been developed for measuring electron distribution functions in plasmas. It contains a collimating aperture which selects particles from a narrow cone in velocity space and a retarding potential analyzer. The distribution function f(v, theta, phi) is obtained from a large number of analyzer traces taken at different angles theta, phi. In addition, the small analyzer can be moved in space and the measurements are time resolved so as to obtain the complete phase space information f(v,r,t). The large data flow of this seven-variable function is processed with a high-speed digital data-acquisition system. The new electron velocity analyzer is applicable over a wide parameter range in electron energies and densities. Various cases of anisotropic distributions such as beams, shells, tails, and drifts have been successfully investigated.

Stenzel, R. L.↗
NASA NTRS1992

Two-temperature models of old supernova remnants with ion and electron thermal conduction

To investigate the potential effects thermal conduction may have on the evolution of old supernova remnants, we present the results of 1D (spherically symmetric) numerical simulations of a remnant in a homogeneous interstellar medium for four different cases: (1) without thermal conduction; (2) with both electron and ion thermal conduction assuming equal temperatures; (3) with electron thermal conduction only, following electron and ion temperatures separately; and (4) with both electron and ion thermal conduction following separate temperatures. We followed the entire evolution until the completion of the remnant bubble collapse. Our most significant result is that in remnant evolution studies concerned principally with either the shell or bubble evolution at late times, reasonable results are obtained with single-temperature models. When the electron and ion temperatures are followed separately, however, ion thermal conduction cannot safely be ignored.

Cui, Wei↗
NASA NTRS1994

One-photon annihilation of thermal positrons with bound atomic electrons

Direct one-photon annihilation rate of positrons with a bound atomic electron is evaluated in the nonrelativistic limit. The K- and L-shell contributions are estimated including the screening and effective Coulomb repulsion effects. The annihilation rate of thermal positrons is calculated for various temperatures. The total number of one-photon annihilation events in the interstellar medium is discussed. These results provide the directional and structural information for cosmic gamma-ray sources.

Jung, Young-Dae↗
NASA NTRS1994

Relativistic electron flux comparisons at low and high altitudes with fast time resolution and broad spatial coverage

Analyses are presented for the first high-time resolution multisatellite study of the spatial and temporal characteristics of a relativistic electron enhancement event with a rapid onset. Measurements of MeV electrons were made from two low-altitude polar orbiting satellites and three spacecraft at synchronous altitude. The electron fluxes observed by the low-altitude satellites include precipitating electrons in both the bounce and drift loss cones as well as electrons that are stably trapped, whereas the observations at geosynchronous altitude are dominated by the trapped population. The fluxes of greater than 1 MeV electrons at low-satellite altitude over a wide range of L shells tracked very well the fluxes greater than 0.93 MeV at synchronous altitude.

Imhof, W. L.↗
NASA NTRS2007

First Terrestrial Soft X-Ray Auroral Observation by the Chandra X-Ray Observatory

Northern auroral regions of Earth were imaged with energetic photons in the 0.1-10keV range using the High-Resolution Camera (HRC-I) aboard the Chandra X-ray Observatory at 10 epochs (each approx.20 min duration) between mid- December 2003 and mid-April 2004. These observations aimed at searching for Earth's soft (< 2 keV) X-ray aurora in a comparative study with Jupiter's X-ray aurora, where a pulsating X-ray "hot-spot" has been previously observed by Chandra. The first Chandra soft X-ray observations of Earth's aurora show that it is highly variable 0ntense arcs, multiple arcs, diffuse patches, at times absent). In at least one of the observations an isolated blob of emission is observed near the expected cusp location. A fortuitous overflight of DMSP satellite F13 provided SSJ/4 energetic particle measurements above a bright arc seen by Chandra on 24 January 2004, 20:01-20:22 UT. A model of the emissions expected strongly suggests that the observed soft X-ray signal is bremsstrahlung and characteristic K-shell line emissions of nitrogen and oxygen in the atmosphere produced by electrons.

Bhardwaj, Anil↗
DOE OSTI2020

Nonadiabatic Excited-State Molecular Dynamics for Open-Shell Systems

Nonadiabatic Molecular Dynamics (NAMD) of excited states has been widely used in the simulation of photoinduced phenomena. However, the inability to treat bond breaking and forming processes with single-reference electronic structure methods limits their application in photochemistry for extended molecular systems. In this work, the extension of excited-state NAMD for open-shell systems is developed and implemented in the NEXMD software. We present the spin-unrestricted CIS and TDSCF formalism for the ground and excited states, analytical derivatives, and nonadiabatic derivative couplings for the respective potential energy surfaces. Next, this methodology is employed to study the photochemical reaction of three model molecules. The results demonstrate the advantage of the open-shell approach in modeling photochemical reactions, especially involving bond breaking processes. We find that the open-shell method lowers the reaction barrier at the bond-breaking limits resulting in larger calculated photochemical quantum yields compared to the respective closed-shell results. We also address problems related to spin contamination in the open-shell method, especially when molecular geometries are far from equilibrium.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Atomistic insights into the nucleation and growth of platinum on palladium nanocrystals

Abstract Despite the large number of reports on colloidal nanocrystals, very little is known about the mechanistic details in terms of nucleation and growth at the atomistic level. Taking bimetallic core-shell nanocrystals as an example, here we integrate in situ liquid-cell transmission electron microscopy with first-principles calculations to shed light on the atomistic details involved in the nucleation and growth of Pt on Pd cubic seeds. We elucidate the roles played by key synthesis parameters, including capping agent and precursor concentration, in controlling the nucleation site, diffusion path, and growth pattern of the Pt atoms. When the faces of a cubic seed are capped by Br − , Pt atoms preferentially nucleate from corners and then diffuse to edges and faces for the creation of a uniform shell. The diffusion does not occur until the Pt deposited at the corner has reached a threshold thickness. At a high concentration of the precursor, self-nucleation takes place and the Pt clusters then randomly attach to the surface of a seed for the formation of a non-uniform shell. These atomistic insights offer a general guideline for the rational synthesis of nanocrystals with diverse compositions, structures, shapes, and related properties.

36 MATERIALS SCIENCE↗
NASA NTRS2010

Examining the Uppermost Surface of the Lunar Regolith

This slide presentation reviews the examination of the uppermost surface of the lunar regolith. It shows the mechanism (i.e. a Clam Shell Sampling Device) that was used to retrieve samples of the surface of the lunar soil. Samples were obtained from the devices, and they were examined in the scanning electron microscope (SEM). Using a lunar simulant, JSC-1a, test were run to ascertain if the sample from the clam shell device were biased due to the collection. The results of the test were that all the fine grains analyzed to the limit of the capabilities were found to be lunar in composition, though non-lunar contaminants may exist in the submicron population. Further work is required, though the initial study shows that the uppermost surface is enriched in fine (< 2 micron grains) compared to the bulk soil.

Noble, Sarah↗