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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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

Contactless Growth of ZnSe Single Crystals by Physical Vapor Transport

ZnSe crystals were grown by self-seeded physical vapor transport (PVT) technique in the horizontal configuration. The source materials were heat treated by H2 reduction to remove the oxide followed by baking under dynamic vacuum to adjust the source composition toward that of congruent sublimation. Contactless growth of ZnSe single crystals have been performed consistently using three different source materials. The crystals grew away from the wall during the later stage of the growth with large (110) facets tend to align parallel to the gravity direction. The Scanning Electron Micrography (SEM) micrographs and the Atomic Force Microscope (AFM) images showed that large (110) terraces and steps dominate the as-grown facets. The measured residual gas pressures in the processed ampoules agree well among various source materials and the major components were CO and H2. No preferred growth direction was found. The one-dimensional diffusion model on the mass flux of a multi-species PVT system was employed to analyze the conditions for contactless growth. The calculated thermal profile for supersaturation is very close to the thermal profile measured inside the empty furnace bore in the region of contactless growth. The effects of convective flows in the vapor phase inside the ampoule on the growth processes are discussed.

Su, Ching-Hua↗
NASA NTRS2002

Many-body Effects in a Laterally Inhomogeneous Semiconductor Quantum Well

Many body effects on conduction and diffusion of electrons and holes in a semiconductor quantum well are studied using a microscopic theory. The roles played by the screened Hartree-Fock (SHE) terms and the scattering terms are examined. It is found that the electron and hole conductivities depend only on the scattering terms, while the two-component electron-hole diffusion coefficients depend on both the SHE part and the scattering part. We show that, in the limit of the ambipolax diffusion approximation, however, the diffusion coefficients for carrier density and temperature are independent of electron-hole scattering. In particular, we found that the SHE terms lead to a reduction of density-diffusion coefficients and an increase in temperature-diffusion coefficients. Such a reduction or increase is explained in terms of a density-and temperature dependent energy landscape created by the bandgap renormalization.

Ning, Cun-Zheng↗
DOE OSTI2024

Magnetic, charge, and bond order in the two-dimensional Su-Schrieffer-Heeger-Holstein model

Most nonperturbative numerical studies of electron-phonon interactions focus on model Hamiltonians where the electrons interact with a phonon branch via a single type of microscopic mechanism. Two commonly explored couplings in this context are the Holstein and Su-Schrieffer-Heeger (SSH) interactions, which describe phonons modulating the on-site energy and intersite electron hopping, respectively. Many materials, however, have multiple phonon branches that can each interact with electronic degrees of freedom in different ways. We present here a determinant quantum Monte Carlo study of the half-filled two-dimensional (bond) SSH-Holstein Hamiltonian, where electrons couple to different phonon branches via either the Holstein or SSH mechanism. As a result, we map the model's phase diagram and determine the nature of the transitions between charge-density wave, bond-order wave, and antiferromagnetic order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Structural measurement of electron-phonon coupling and electronic thermal transport across a metal-semiconductor interface

Scattering of energetic charge carriers and their coupling to lattice vibrations (phonons) in dielectric materials and semiconductors are crucial processes that determine the functional limits of optoelectronics, photovoltaics, and photocatalysts. The strength of these energy exchanges is often described by the electron-phonon coupling coefficient, which is difficult to measure due to the microscopic time- and length-scales involved. In the present study, we propose an alternate means to quantify the coupling parameter along with thermal boundary resistance and electron conductivity by performing a high angular-resolution time-resolved X-ray diffraction measurement of propagating lattice deformation following laser excitation of a nanoscale, polycrystalline metal film on a semiconductor substrate. Our data present direct experimental evidence for identifying the ballistic and diffusive transport components occurring at the interface, where only the latter participates in thermal diffusion. This approach provides a robust measurement that can be applied to investigate microscopic energy transport in various solid-state materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Insulating band gaps both below and above the Néel temperature in d -electron LaTi O 3 , LaV O 3 , SrMn O 3 , and LaMn O 3 perovskites as a symmetry-breaking event

Metal d-electron oxides having an odd number of electrons per cell should exhibit band degeneracy at the Fermi energy, making them, in band theory, formally metallic. In many cases, however, these are “false metals”, as evidenced by the observation that many ABO 3 oxide perovskites with a magnetic 3d B-atom are observed to be insulators both below and above the Néel temperature. These inconsistencies between experimental observation and expectation have historically been resolved by invoking degeneracy-breaking physics, based largely on -pure electron effects, such as strong interelectronic correlation for d-electron compounds (the Mott mechanism). Such explanations generally consider microscopic lattice or magnetic degrees of freedom (m-DOF) as largely passive spectators, not a cause of the formally metallic being an insulator. Yet, it has long been known that ABO 3 perovskites can manifest an arrangement of m-DOFs in the form of octahedral tilting, bond dimerization, Jahn-Teller distortions, and ordering of local magnetic moments. It appears reasonable that such structural and magnetic local degrees of freedom need to be allowed to compete with purely electronic strong correlation. To answer this question, we explored a range of d-electron oxide perovskites exemplified by the archetypes LaTiO 3 , LaVO 3 , SrMnO 3 , and LaMnO 3 with 1, 2, 3, or 4 d -electrons, respectively. Using a mean-field-like electronic structure method (here, density functional theory), we find that a combination of magnetic symmetry breaking with structural distortions can account for insulating band gaps in this series while at the same time correctly predicting for the control case an intrinsic paramagnetic metal in SrVO 3 as symmetry-breaking is insufficiently strong to remove the degeneracy. Finally, this indicates that calculating quantitatively local magnetic and positional symmetry-breaking motifs in unit cells that avoid averaging at the outset over the low symmetry motifs can provide consistent trends in a Mott transition without Mott U.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Dense, continuous membrane labeling and expansion microscopy visualization of ultrastructure in tissues

Abstract Lipid membranes are key to the nanoscale compartmentalization of biological systems, but fluorescent visualization of them in intact tissues, with nanoscale precision, is challenging to do with high labeling density. Here, we report ultrastructural membrane expansion microscopy (umExM), which combines an innovative membrane label and optimized expansion microscopy protocol, to support dense labeling of membranes in tissues for nanoscale visualization. We validate the high signal-to-background ratio, and uniformity and continuity, of umExM membrane labeling in brain slices, which supports the imaging of membranes and proteins at a resolution of ~60 nm on a confocal microscope. We demonstrate the utility of umExM for the segmentation and tracing of neuronal processes, such as axons, in mouse brain tissue. Combining umExM with optical fluctuation imaging, or iterating the expansion process, yields ~35 nm resolution imaging, pointing towards the potential for electron microscopy resolution visualization of brain membranes on ordinary light microscopes.

Science & Technology - Other Topics↗
NASA NTRS1992

Differential phase acoustic microscope for micro-NDE

A differential phase scanning acoustic microscope (DP-SAM) was developed, fabricated, and tested in this project. This includes the acoustic lens and transducers, driving and receiving electronics, scanning stage, scanning software, and display software. This DP-SAM can produce mechanically raster-scanned acoustic microscopic images of differential phase, differential amplitude, or amplitude of the time gated returned echoes of the samples. The differential phase and differential amplitude images provide better image contrast over the conventional amplitude images. A specially designed miniature dual beam lens was used to form two foci to obtain the differential phase and amplitude information of the echoes. High image resolution (1 micron) was achieved by applying high frequency (around 1 GHz) acoustic signals to the samples and placing two foci close to each other (1 micron). Tone burst was used in this system to obtain a good estimation of the phase differences between echoes from the two adjacent foci. The system can also be used to extract the V(z) acoustic signature. Since two acoustic beams and four receiving modes are available, there are 12 possible combinations to produce an image or a V(z) scan. This provides a unique feature of this system that none of the existing acoustic microscopic systems can provide for the micro-nondestructive evaluation applications. The entire system, including the lens, electronics, and scanning control software, has made a competitive industrial product for nondestructive material inspection and evaluation and has attracted interest from existing acoustic microscope manufacturers.

Waters, David D.↗
DOE OSTI2022

Phonon-assisted formation of an itinerant electronic density wave

Abstract Electronic instabilities drive ordering transitions in condensed matter. Despite many advances in the microscopic understanding of the ordered states, a more nuanced and profound question often remains unanswered: how do the collective excitations influence the electronic order formation? Here, we experimentally show that a phonon affects the spin density wave (SDW) formation after an SDW-quench by femtosecond laser pulses. In a thin film, the temperature-dependent SDW period is quantized, allowing us to track the out-of-equilibrium formation path of the SDW precisely. By exploiting its persistent coupling to the lattice, we probe the SDW through the transient lattice distortion, measured by femtosecond X-ray diffraction. We find that within 500 femtoseconds after a complete quench, the SDW forms with the low-temperature period, directly bypassing a thermal state with the high-temperature period. We argue that a wavevector-matched phonon launched by the quench changes the formation path of the SDW through the dynamic pinning of the order parameter.

42 ENGINEERING↗
DOE OSTI2026

Enhanced antineutrino emission from 𝛽 decay in core-collapse supernovae with self-consistent weak decay rates

Nuclear weak-interaction rates are known to exert a prominent effect in the late stages of stellar collapse. Despite their importance, most studies to date on core-collapse supernovae (CCSNe) have focused primarily on the effects of electron captures, neglecting 𝛽 decay contributions. In this work, we present the first CCSNe simulation incorporating global 𝛽 decay rates from a microscopic theory. These are enabled by a large-scale evaluation of both electron capture and 𝛽 decay rates, obtained self-consistently utilizing the relativistic energy density functional theory and finite-temperature quasiparticle random-phase approximation. Including 𝛽 decay leads to a dramatic enhancement of the pre-bounce antineutrino signal as the antineutrino emissivity increases by more than two orders of magnitude and the luminosity by a factor of 50 relative to thermal emission alone, while the average antineutrino energy increases by over 1 MeV. Furthermore, it is expected that these new rates could help us constrain the model uncertainties related to weak-interaction processes, improving the prediction of antineutrino signal during the final stages of stellar death.

Beta decay↗
DOE OSTI2020

Linear in temperature resistivity in the limit of zero temperature from the time reparameterization soft mode

The most puzzling aspect of the ‘strange metal’ behavior of correlated electron compounds is that the linear in temperature resistivity often extends down to low temperatures, lower than natural microscopic energy scales. We consider recently proposed deconfined critical points (or phases) in models of electrons in large dimension lattices with random nearest-neighbor exchange interactions. The criticality is in the class of Sachdev–Ye–Kitaev models, and exhibits a time reparameterization soft mode representing gravity in dual holographic theories. We compute the low temperature resistivity in a large M limit of models with SU(M) spin symmetry, and find that the dominant temperature dependence arises from this soft mode. The resistivity is linear in temperature down to zero temperature at the critical point, with a co-efficient universally proportional to the product of the residual resistivity and the co-efficient of the linear in temperature specific heat. We argue that the time reparameterization soft mode offers a promising and generic mechanism for resolving the strange metal puzzle.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Strong Potential Gradients and Electron Confinement in ZnO Nanoparticle Films: Implications for Charge-Carrier Transport and Photocatalysis

We report that zinc oxide (ZnO) nanomaterials are promising components for chemical and biological sensors and photocatalytic conversion and operate as electron collectors in photovoltaic technologies. Many of these applications involve nanostructures in contact with liquids or exposed to ambient atmosphere. Under these conditions, single-crystal ZnO surfaces are known to form narrow electron accumulation layers with few nanometer spatial penetration into the bulk. A key question is to what extent such pronounced surface potential gradients can develop in the nanophases of ZnO, where they would dominate the catalytic activity by modulating charge-carrier mobility and lifetimes. Here, we follow the temperature-dependent surface electronic structure of nanoporous ZnO with photoemission spectroscopy to reveal a sizable, spatially averaged downward band bending for the hydroxylated state and a conservative upper bound of < 6 nm for the spatial extent of the associated potential gradient. This nanoscale confinement of conduction-band electrons to the nanoparticle film surface is crucial for a microscopic understanding and further optimization of charge transport and photocatalytic function in complex ZnO nanomaterials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Correlation-driven topological band inversion in VSe 2

Recent spectroscopic studies have uncovered topological surface states and band inversion in 1⁢T−VSe 2 , positioning this material at the intersection of correlated electron physics and nontrivial band topology. While previous interpretations attribute these features to surface strain, the microscopic origin of the topological band structure remains unresolved. Here, we present an alternative explanation based on electronic correlations, showing that a negative effective Hubbard interaction (𝑈 eff < 0) applied to the Se 4p orbitals can reproduce the experimentally observed band inversion at both the Γ and 𝑀 points. Using density functional theory (DFT) calculations with orbital-selective interactions, we demonstrate that this approach naturally gives rise to topological surface states without invoking structural distortions. In conclusion, our results highlight the crucial role of ligand orbital correlations in shaping band topology and provide a novel framework for understanding and engineering topological phases in chalcogenide-based quantum materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Visualizing broken symmetry and topological defects in a quantum Hall ferromagnet

The interaction between electrons in graphene under high magnetic fields drives the formation of a rich set of quantum Hall ferromagnetic (QHFM) phases with broken spin or valley symmetry. Visualizing atomic-scale electronic wave functions with scanning tunneling spectroscopy (STS), we resolved microscopic signatures of valley ordering in QHFM phases and spectral features of fractional quantum Hall phases of graphene. At charge neutrality, we observed a field-tuned continuous quantum phase transition from a valley-polarized state to an intervalley coherent state, with a Kekulé distortion of its electronic density. Mapping the valley texture extracted from STS measurements of the Kekulé phase, we could visualize valley skyrmion excitations localized near charged defects. Our techniques can be applied to examine valley-ordered phases and their topological excitations in a wide range of materials.

valley symmetry↗
DOE OSTI2021

Emergent anomalies and generalized Luttinger theorems in metals and semimetals

Luttinger's theorem connects a basic microscopic property of a given metallic crystalline material, the number of electrons per unit cell, to the volume, enclosed by its Fermi surface, which defines its low-energy observable properties. Such statements are valuable since, in general, deducing a low-energy description from microscopics, which may perhaps be regarded as the main problem of condensed matter theory, is far from easy. In this paper, we present a unified framework which allows one to discuss Luttinger theorems for ordinary metals as well as closely analogous exact statements for topological (semi)metals, whose low-energy description contains either discrete points or continuous line nodes. This framework is based on the 't Hooft anomaly of the emergent charge conservation symmetry at each point on the Fermi surface, a concept recently proposed by Else et al. Here we find that the Fermi surface codimension p plays a crucial role for the emergent anomaly. For odd p, such as ordinary metals (p = 1) and magnetic Weyl semimetals (p = 3), the emergent symmetry has a generalized chiral anomaly. For even p, such as graphene and nodal line semimetals (both with p = 2), the emergent symmetry has a generalized parity anomaly. When restricted to microscopic symmetries, such as U(1) and lattice symmetries, the emergent anomalies imply (generalized) Luttinger theorems, relating Fermi surface volume to various topological responses. The corresponding topological responses are the charge density for p = 1, Hall conductivity for p = 3, and polarization for p = 2. As a by-product of our results, we clarify exactly what is anomalous about the surface states of nodal line semimetals.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A Printed Microscopic Universal Gradient Interface for Super Stretchable Strain‐Insensitive Bioelectronics

Abstract Stretchable electronics capable of conforming to nonplanar and dynamic human body surfaces are central for creating implantable and on‐skin devices for high‐fidelity monitoring of diverse physiological signals. While various strategies have been developed to produce stretchable devices, the signals collected from such devices are often highly sensitive to local strain, resulting in inevitable convolution with surface strain‐induced motion artifacts that are difficult to distinguish from intrinsic physiological signals. Here all‐printed super stretchable strain‐insensitive bioelectronics using a unique universal gradient interface (UGI) are reported to bridge the gap between soft biomaterials and stiff electronic materials. Leveraging a versatile aerosol‐based multi‐materials printing technique that allows precise spatial control over the local stiffnesses with submicron resolution, the UGI enables strain‐insensitive electronic devices with negligible resistivity changes under a 180% uniaxial stretch ratio. Various stretchable devices are directly printed on the UGI for on‐skin health monitoring with high signal quality and near‐perfect immunity to motion artifacts, including semiconductor‐based photodetectors for sensing blood oxygen saturation levels and metal‐based temperature sensors. The concept in this work will significantly simplify the fabrication and accelerate the development of a broad range of wearable and implantable bioelectronics for real‐time health monitoring and personalized therapeutics.

Song, Kaidong [Department of Aerospace and Mechani↗
NASA NTRS1965

Random microscopic magnetic fields in a plasma.

Random plasma magnetic fields caused by electrons coming closer to plasma atom than mean interelectron distance and by electrons that pass at or beyond this distance

PLASMA-PARTICLE INTERACTION↗
NASA NTRS1982

Microscopic contour changes of tribological surfaces by chemical and mechanical action

An electronic optical laser interferometer capable of resolving depth differences of as low as 30 A and planar displacements of 6000 A was constructed for the examination of surface profiles of bearing surfaces without physical contact. This instrument was used to determine topological chemical reactivity by applying a drop of dilute alcoholic hydrochloric acid and measuring the profile of the solid surface before and after application of this probe. It was found that scuffed bearing surfaces reacted much faster than virgin ones but that bearing surfaces exposed to lubricants containing an organic chloride reacted much more slowly. In a separate series of experiments, a number of stainless steel plates were heated in a nitrogen atmosphere to different temperatures and their reactivity examined later at ambient temperature. The change of surface contour as a result of the probe reaction was found to follow an Arrhenius-type relation with respect to heat treatment temperature. This result could have implications on the scuffing mechanism.

Lauer, J. L.↗
DOE OSTI2023

Electron Scattering from 1-Methyl-5-Nitroimidazole: Cross-Sections for Modeling Electron Transport through Potential Radiosensitizers

In this study, we present a complete set of electron scattering cross-sections from 1-Methyl-5-Nitroimidazole (1M5NI) molecules for impact energies ranging from 0.1 to 1000 eV. This information is relevant to evaluate the potential role of 1M5NI as a molecular radiosensitizers. The total electron scattering cross-sections (TCS) that we previously measured with a magnetically confined electron transmission apparatus were considered as the reference values for the present analysis. Elastic scattering cross-sections were calculated by means of two different schemes: The Schwinger multichannel (SMC) method for the lower energies (below 15 eV) and the independent atom model-based screening-corrected additivity rule with interferences (IAM-SCARI) for higher energies (above 15 eV). The latter was also applied to calculate the total ionization cross-sections, which were complemented with experimental values of the induced cationic fragmentation by electron impact. Double differential ionization cross-sections were measured with a reaction microscope multi-particle coincidence spectrometer. Using a momentum imaging spectrometer, direct measurements of the anion fragment yields and kinetic energies by the dissociative electron attachment are also presented. Cross-sections for the other inelastic channels were derived with a self-consistent procedure by sampling their values at a given energy to ensure that the sum of the cross-sections of all the scattering processes available at that energy coincides with the corresponding TCS. This cross-section data set is ready to be used for modelling electron-induced radiation damage at the molecular level to biologically relevant media containing 1M5NI as a potential radiosensitizer. Nonetheless, a proper evaluation of its radiosensitizing effects would require further radiobiological experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗