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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 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
NASA NTRS1976

Evidence for the regulation of solar wind heat flux at 1 AU

Observational evidence favoring the local regulation of solar-wind heat flux at 1 AU is reviewed, and four months of IMP 6 plasma and magnetic-field data are merged and analyzed in order to investigate what might be regulating the heat flux. A statistical analysis of the data shows that the solar-wind Alfven speed is probably regulating the heat flux locally at 1 AU and that the Alfven speed, the velocity difference between the peak of low-energy electrons and the bulk plasma velocity, and the solar-wind velocity component projected along the local spiral angle are statistically well correlated for Alfven speeds not exceeding about 70 km/s. A time-series analysis of the data indicates that only the Alfven speed and the velocity difference between the peak of low-energy electrons and the bulk plasma velocity are well correlated both qualitatively and quantitatively on a microscopic time scale. It is strongly suggested that, at times, the solar-wind heat flux is locally regulated by the magnitude of the Alfven speed at 1 AU. Uncertainties in the results are discussed.

Feldman, W. C.↗
DOE OSTI2023

Investigating the Electronic Structure of Prospective Water-Splitting Oxide BaCe 0.25 Mn 0.75 O 3-δ before and after Thermal Reduction

BaCe 0.25 Mn 0.75 O 3-δ (BCM), a non-stoichiometric oxide with a layered perovskite-like crystal structure, has recently emerged as a prospective contender for application in renewable energy harvesting by solar thermochemical hydrogen generation. Using solar-thermal energy and a reducing environment, oxygen vacancies can be created in high-temperature BCM, and the reduced crystal so obtained can, in turn, produce H 2 by stripping oxygen from H 2 O. Therefore, a first step toward understanding the working mechanism and optimizing the performance of BCM is a thorough and comparative analysis of the electronic structure of the pristine and the reduced material. In this paper, we probe the electronic structure of BCM using the combined effort of first-principles calculations and experimental O K-edge X-ray absorption spectroscopy (XAS). The computed projected density of states (PDOS) and orbital plots are used to propose a simplified model for orbital mixing between the oxygen and metal atoms. With the help of state-of-the-art simulations, we are able to find the origins of the XAS peaks and categorize them on the basis of contribution from Ce and Mn. For the reduced crystal, the calculations show that the change in electron density resulting from the reduction is strongly localized around the oxygen vacancy. Experimental measurements reveal a marked lowering of the first O K-edge peak in the reduced crystal. Using theoretical analysis, this is shown to result from lifting of spin degeneracy in the absorption peaks as well as from a diminished O 2p contribution to the frontier unoccupied orbitals, in accordance with the tight binding scheme. The simulated results serve as a reference for the extent of spectral change as a function of the percentage of oxygen vacancies in the reduced crystal. Here, our study paves the way for the investigation of the working mechanism of BCM and for computational and experimental efforts aimed at design and discovery of efficient water-splitting oxides.

08 HYDROGEN↗
DOE OSTI2023

Local structural investigation of non-crystalline materials at high pressure: the case of GeO 2 glass

Abstract Local structures play a crucial role in the structural polyamorphism and novel electronic properties of amorphous materials, but their accurate measurement at high pressure remains a formidable challenge. In this article, we use the local structure of network-forming GeO 2 glass as an example, to present our recent approaches and advances in high-energy x-ray diffraction, high-pressure x-ray absorption fine structure, and ab initio first-principles density functional theory calculations and simulations. Although GeO 2 glass is one of the best studied materials in the field of high pressure research due to its importance in glass theory and geophysical significance, there are still some long-standing puzzles, such as the existence of appreciable distinct fivefold [5] Ge coordination at low pressure and the sixfold-plus [6+] Ge coordination at ultrahigh pressure. Our work sheds light on the origin of pressure-induced polyamorphism of GeO 2 glass, and the [5] Ge polyhedral units may be the dominant species in the densification mechanism of network-forming glasses from tetrahedral to octahedral amorphous structures.

Physics↗
NASA NTRS1972

Correlated satellite measurements of low-energy electron precipitation and ground-based observations of a visible auroral arc.

A comparison of low-energy charged-particle intensities measured with the low-altitude satellite Injun 5 and a ground-based observation of an auroral arc at Fort Churchill on December 21, 1968, during late local evening has established that an intense precipitation band of electron intensities provides the primary energy influx for the auroral light. This precipitation event was located poleward of and adjacent to the trapping boundary for more energetic electron (above 45 keV) intensities. Proton and electron intensities similar to those in the plasma sheet in the magnetotail were observed in a substantially less-intense zone positioned equatorward of and adjacent to the trapping boundary. The intense precipitation band of electron intensities poleward of the trapping boundary is interpreted as the signature of direct acceleration of magnetosheath electrons into the earth's atmosphere.

Ackerson, K. L.↗
NASA NTRS2000

Energy Characteristics of Auroral Electron Precipitation: A Comparison of Substorms and Pressure Pulse Related Auroral Activity

The Polar Ultraviolet Imager (UVI) observes auroral responses to incident solar wind pressure pulses and interplanetary shocks such as those associated with coronal mass ejections. The arrival of a CME pressure pulse at the front of the magnetosphere results in highly disturbed geomagnetic conditions and a substantial increase in both dayside and nightside auroral precipitation. Our observations show a simultaneous brightening over broad areas of the dayside and nightside aurora in response to a pressure pulse, indicating that more magnetospheric regions participate as sources for auroral precipitation than during isolated substorms. We estimate the average energies of incident auroral electrons using Polar UVI images and compare the precipitation energies during pressure pulse associated events to those during isolated auroral substorms. Electron precipitation during substorms has average energies greater than 10 keV and is structured both in local time and magnetic latitude. For auroral intensifications following the arrival of a pressure pulse or interplanetary shock, electron precipitation is less spatially structured and has greater ux of lower energy electrons (Eave _ 7 keV) than during isolated substorm, onsets. The average energies of the precipitating electrons inferred from UVI are consistent with those measured in-situ by the FAST spacecraft. These observations quantify the differences between global and local auroral precipitation processes and will provide a valuable experimental check for models of sudden storm commencements and magnetospheric response to perturbations in the solar wind.

Chua, D.↗
NASA NTRS2000

Global Remote Sensing of Precipitating Electron Energies: A Comparison of Substorms and Pressure Pulse Related Intensifications

The Polar Ultraviolet Imager (UVI) observes aurora responses to incident solar wind pressure pulses and interplanetary shocks such its those associated with coronal mass ejections. Previous observations have demonstrated that the arrival of it pressure pulse at the front of the magnetosphere results in highly disturbed geomagnetic conditions and a substantial increase in both dayside and nightside aurora precipitations. Our observations show it simultaneous brightening over bread areas of the dayside and nightside auroral in response to a pressure pulse, indicating that more magnetospheric regions participate as sources for auroral precipitation than during isolate substorm. We estimate the characteristic energies of incident auroral electrons using Polar UVI images and compare the precipitation energies during pressure pulse associated event to those during isolated substorms. We estimate the characteristic energies of incident auroral electrons using Polar UVI images and compare the precipitation energies during pressure pulse associated events to those during isolated auroral substorms. Electron precipitation during substorms has characteristic energies greater than 10 KeV and is structured both in local time and in magnetic latitude. For auroral intensifications following the arrival of'a pressure pulse or interplanetary shock. Electron precipitation is less spatially structured and has greater flux of lower characteristic energy electrons (Echar less than 7 KeV) than during isolated substorm onsets. These observations quantify the differences between global and local auroral precipitation processes and will provide a valuable experimental check for models of sudden storm commencements and magnetospheric response to perturbations in the solar wind.

Chua, D.↗
DOE OSTI2023

Partial fillings of the bosonic $E$ 8 quantum Hall state

Here, we study bosonic topological phases constructed from electrons. In addition to a bulk excitation energy gap, these bosonic phases also have a fermion energy gap, below which all local excitations in the bulk and on the edge are even combinations of electrons. We focus on chiral phases, in which all low-energy edge excitations move in the same direction, that arise from the short-range entangled $E_8$ quantum Hall state, the bosonic analog of the filled lowest Landau level of electrons. The $E_8$ edge-state theory features an $E_8$ Kac-Moody symmetry that can be decomposed into ${\cal G}_A \times {\cal G}_B$ subalgebras, such as $SU(3) \times E_6$, $SO(M) \times SO(16-M)$, and $G_2 \times F_4$. (Here, $\{SO(M) \}$, $\{SU(N)\}$, and $\{E_8, G_2, F_4 \}$ denote orthogonal, unitary, and exceptional Lie algebras.) Using these symmetry decompositions, we construct exactly solvable coupled-wire model Hamiltonians for families of long-range entangled ${\cal G}_A$ or ${\cal G}_B$ bosonic fractional quantum Hall states that "partially fill" the $E_8$ state and are pairwise related by a generalized particle-hole symmetry. These long-range entangled states feature either Abelian or non-Abelian topological order. Some support the emergence of non-local Dirac and Majorana fermions, Ising anyons, metaplectic anyons, Fibonacci anyons, as well as deconfined $\mathbb{Z}_2$ gauge fluxes and charges.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Charge Separation in Monolayer WSe 2 by Strain Engineering: Implications for Strain-Induced Diode Action

Strain-engineering band structure in transition-metal dichalcogenides (TMDC) is a promising avenue toward capabilities in optoelectronics. For example, controlling the flow of optically generated quasiparticles can be achieved by a localized strain field which reduces the bandgap and generates an energy-band gradient that funnels neutral excitons to the strain apex. It would be even more advantageous to mimic a diode’s internal field, where both conduction and valence bands bend in the same direction, to separate electrons and holes. This can be achieved if the strain in the TMDC layer lowers both the conduction band minimum as well as the valence band maximum during strain-induced band narrowing. Here, we have used density functional theory (DFT) calculations of monolayer WSe 2 electronic structure under biaxial strain to show that WSe 2 has this property. In this work, to test the band bending experimentally, we combined localized strain with electrostatic doping to follow photoluminescence from excitons and positive or negative trions. In unstrained WSe 2 , both positive and negative trion emissions dominate over excitons away from charge neutrality. In contrast, for strained areas, negative trions accumulate, while positive trion emission is near zero away from charge neutrality, indicating a lack of holes. Hence, strain bends both conduction and valence bands down, similarly to the band bending in a PN-diode depletion region, providing an opportunity to separate electrons and holes via localized strain.

2D materials↗
DOE OSTI2025

SchrödingerNet: A Universal Neural Network Solver for the Schrödinger Equation

Recent advances in machine learning have facilitated numerically accurate solution of the electronic Schrödinger equation (SE) by integrating various neural network (NN)-based wave function ansatzes with variational Monte Carlo methods. Nevertheless, such NN-based methods are all based on the Born–Oppenheimer approximation (BOA) and require computationally expensive training for each nuclear configuration. In this work, we propose a novel NN architecture, SchrödingerNet, to solve the full electronic-nuclear SE by defining a loss function designed to equalize local energies across the system. This approach is based on a translationally, rotationally and permutationally symmetry-adapted total wave function ansatz that includes both nuclear and electronic coordinates. Furthermore, this strategy not only allows for an efficient and accurate generation of a continuous potential energy surface at any geometry within the well-sampled nuclear configuration space, but also incorporates non-BOA corrections, through a single training process. Comparison with benchmarks of atomic and small molecular systems demonstrates its accuracy and efficiency.

Chemical calculations↗
DOE OSTI2022

Local structure elucidation of tungsten-substituted vanadium dioxide (V$$_{1-x}$$W$$_x$$O$$_2$$)

Abstract Initially, vanadium dioxide seems to be an ideal first-order phase transition case study due to its deceptively simple structure and composition, but upon closer inspection there are nuances to the driving mechanism of the metal-insulator transition (MIT) that are still unexplained. In this study, a local structure analysis across a bulk powder tungsten-substitution series is utilized to tease out the nuances of this first-order phase transition. A comparison of the average structure to the local structure using synchrotron x-ray diffraction and total scattering pair-distribution function methods, respectively, is discussed as well as comparison to bright field transmission electron microscopy imaging through a similar temperature-series as the local structure characterization. Extended x-ray absorption fine structure fitting of thin film data across the substitution-series is also presented and compared to bulk. Machine learning technique, non-negative matrix factorization, is applied to analyze the total scattering data. The bulk MIT is probed through magnetic susceptibility as well as differential scanning calorimetry. The findings indicate the local transition temperature ( $$T_c$$ T c ) is less than the average $$T_c$$ T c supporting the Peierls-Mott MIT mechanism, and demonstrate that in bulk powder and thin-films, increasing tungsten-substitution instigates local V-oxidation through the phase pathway VO $$_2\, \rightarrow$$ 2 → V $$_6$$ 6 O $$_{13} \, \rightarrow$$ 13 → V $$_2$$ 2 O $$_5$$ 5 .

Wilson, Catrina E. (ORCID:0000000173397318)↗
NASA NTRS1972

Explorer 35 observations of solar-wind electron density, temperature, and anisotropy.

Measurement of the solar wind electron integral spectrum yielding electron temperatures ranging from 100,000 to 400,000 K and having an average value of 182,000 K, electron densities having an average value of 4.6 per cu cm, and electron-temperature anisotropies ranging from 1 to 1.4. The electron temperature is found to be independent of solar-wind speed over the range from 290 to 675 km/sec. Comparison of the simultaneous alignment of the local magnetic-field vector with the direction of the electron-temperature anisotropy reveals a high correlation. Necessary conditions for the fire-hose instabilities were satisfied in the electron and proton components of the solar-wind plasma immediately behind an interplanetary shock.

Serbu, G. P.↗
DOE OSTI2024

Electron‐Assisted Generation and Straight Movement of Skyrmion Bubble in Kagome TbMn 6 Sn 6

Abstract Topological magnetic textures are promising candidates as binary data units for the next‐generation memory device. The precise generation and convenient control of nontrivial spin topology at zero field near room temperature endows the critical advantages in skyrmionic devices but is not simultaneously integrated into one material. Here, in the Kagome plane of quantum TbMn 6 Sn 6 , the expedient generation of the skyrmion bubbles in versatile forms of lattice, chain, and isolated one by converging the electron beam, where the electron intensity gradient contributes to the dynamic generation from local anisotropy variation near spin reorientation transition (SRT) is reported. Encouragingly, by utilizing the dynamic shift of the SRT domain interface, the straight movement is actualized with the skyrmion bubble slave to the SRT domain interface forming an elastic composite object, avoiding the usual deflection from the skyrmion Hall effect. The critical contribution of the SRT domain interface via conveniently electron‐assisted heating is further theoretically validated in micromagnetic simulation, highlighting the compatible application possibility in advanced devices.

Li, Zhuolin↗
NASA NTRS1998

Auroral Microphysics Rocket (AMICIST) and Reflight of the Phaze Sounding Rocket

This grant was originally awarded for the flight of the AMICIST sounding rocket. However, upon launch failure of the PHAZE rocket, additional resources were placed in this grant to cover the launch of the PHAZE II rocket. AMICIST was successfully launched from the Poker Flat Range on February 24, 1995, and the PHAZE II was successfully launched also from the Poker Flat Range on February 10, 1997. The major objective of the AMICIST flight was to investigate the bursts of transverse ion acceleration occurring during aurora, commonly known as Lower Hybrid Solitary Structures, with the flight of two scientific payloads to unravel space from time effects. The data clearly showed that the structures of ion acceleration were a spatial phenomena having a scale size transverse to the local magnetic field of about 100 m. On the other hand, structures in the auroral electrons were generally observed on this flight to be temporal features that occurred at the same time at the two payloads separated by a few kilometers. The primary objective of the PHAZE rocket flight was to further study the temporal features of auroral electron precipitation having many electron detectors, some fixed in energy, that could study the distribution function of the auroral electrons on time scales of a fraction of a millisecond. A important paper on this topic has just been submitted for publication which uses the PHAZE data to show that the potential structure (electric field parallel to the magnetic field) that accelerates the auroral electrons within one Earth radius of the ground, is not static, but rather fluctuates with frequencies close to the local proton and hydrogen gyrofrequencies. The fluctuation appears to be an actual turning on and off of the electric field at these frequencies. When the potential is turned off, ambient electrons can enter the region and be accelerated along B when the potential is on creating field- aligned bursts which manifest themselves as flickering aurora seen from the ground. The on/off model can explain many of the dynamic features of the aurora which have been unexplained since man first looked up at the visual display. Much needs to be done yet to understand how ions couple into this process.

Arnoldy Roger L.↗
DOE OSTI2025

Elucidating the effect of minor-actinide addition on fuel-cladding chemical interaction in an HT-9 clad U-Pu-Zr metallic fuel irradiated to 6.15 at.% burnup in EBR-II

Scanning and transmission electron microscopy (S/TEM) were used to characterize the local fuel-cladding chemical interaction (FCCI) in one cross-section taken from a HT-9 clad U-20.3Pu-10Zr-1.2Am-1.3Np (in wt.%) fuel irradiated to 6.15 at.% burnup with inner cladding temperatures ranging between 460–490 °C. Results showed that the total interaction thickness between fuel and cladding was <10 µm. Fe infiltrated the fuel to form U-Zr-Fe phases while fuel elements or lanthanides did not infiltrate into the cladding. Np was not involved in the formation of any phases in the examined locations; however, Am played a role by forming a ∼2 µm thick homogeneous Fe-Pu-Am planar front at the inner cladding wall. An oxidized Na layer existed in the fuel-cladding gap with Fe and lanthanide particles dispersed within, suggesting Na could facilitate the transport of fuel and cladding constituents. Secondary phases, including an FCC Zr-rich phase, lanthanide phases, and α’-Cr(Fe) were identified in the outer fuel and FCCI regions. Furthermore, this study suggests that, for the irradiation conditions specific to this cross-section, minor actinides have little impact on FCCI behavior beyond what would be observed in typical HT-9 clad U-Pu-Zr fuel pins systems.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Electronic and optical properties of transition metal impurities in GaN and AlN

The optical properties of Cr(III) impurities are well studied and exploited in 𝛼−Al 2 ⁢O 3 , which enables ruby lasers. Photoluminescence spectra resembling the famous 1.78 eV emission of Cr in 𝛼−Al 2 ⁢O 3 have been observed in other wide-band-gap host materials, in particular AlN. However, it is unclear whether Cr would produce the same emission in the nitrides as in 𝛼−Al 2 ⁢O 3 , especially given the different local environment (tetrahedral vs octahedral coordination). We investigate the electronic and optical properties of transition metal substitutional impurities (Cr, Co, Ni, and Cu) in wurtzite GaN and AlN from first principles, utilizing hybrid density functional theory. We calculate the optical transition energies using a constrained occupation approach that accounts for the multideterminant nature of the excited states. Our results indicate that substitutional Cr(III) is not responsible for the emission near 1.78 eV observed in the nitrides. Among the examined impurities, only substitutional Co(II) produces emission near 1.78 eV. Based on the favorable properties of Co(II) (low formation energy, small Huang-Rhys factor, and an 𝑆 = 3/2 ground state) we propose it as a promising single-photon emitter or spin qubit. We additionally assign the PL peak observed near 1.05 eV in GaN and AlN to the 2 𝐸→ 4 𝐴 2 transition of the Ni(III) substitution.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Atomic-Scale Imaging of Lithium Vacancies in a Battery Cathode by Multislice Electron Ptychography

Atomic-resolution imaging of battery materials is critical for identification of local defects and structural variations, which are tied to battery performance. However, since battery materials are, by design, optimized to allow ion motion in response to an applied electric field, they are also very sensitive to radiation damage by an electron beam. Image resolution is therefore severely constrained by the dose applied. Here, we show that multislice electron ptychography (MEP) can provide sub-ångström lateral resolution images of both light and heavy elements of a Li-ion battery cathode, along with nanometer-scale depth information and greater dose efficiency than conventional electron microscopy methods. Using the depth-sectioning capability of MEP, we have been able to obtain direct visualizations of Li vacancy clusters, atom column by atom column, in Li x Ni 0.33 Mn 0.33 Co 0.33 O 2 (NMC111) cathodes. This capability to track Li distributions will be valuable in understanding, informing, and optimizing electrode material design for ion storage and transfer.

batteries↗
NASA NTRS1976

The 2- to 12-min quasi-periodic variation of 50- to 1000-keV trapped electron fluxes

It was previously shown that trapped electron fluxes of energies in the range from 50 keV to 1 MeV observed in the afternoon magnetosphere during substorms frequently undergo periodic variations. High-resolution electron spectrometer data indicate that these electron variations are periodic in the range of about 2-12 min, correlated with magnetic field variations, organized by the local magnetic field, and dependent on pitch angle. The observations suggest that the electron variations are adiabatic. The study derives quantitative adiabatic expressions of particle flux variations in a model geomagnetic field perturbation to show that the observational features are consistent with effects arising from adiabatic modulation of trapped particle fluxes.

Lin, C. S.↗
NASA NTRS1987

A pulsed electron-photon fluorescence diagnostic technique for temperature and specie concentration measurement at points in relatively dense, unseedded air flows

An analysis is presented on the use of the fluorescence stimulated by combined pulsed electron and photon beams for the study of gas flows up to densities equivalent to an altitude of about 20 km (number density of about 3 x 10 to the 18th/cu cm). The electron beam acts as a pump, requiring no seed gas, to provide a localized concentration of ions or excited state neutrals that can be probed by saturation optical pulses. A short pulse (10ns) electron beam can be used by itself to provide effectively quench-free emission up to number densities of around 10 to the 18th/cm, but is is difficult to maintain satisfactory spatial resolution at this high density. The use of a nearly simultaneous strong optical pulse increases the flexibility of the diagnostic technique, permitting use at densities greater than 10 to the 18th/cu cm with good spatial resolution. The use of flash X-ray sources combined with optical probing also appears promising for densities above 10 to the 19th/cu cm.

Muntz, E. P.↗