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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Electron-electron interaction and the universality of critical indices for quantum Hall effect plateau-plateau transitions in n-InGaAs/GaAs nanostructures with double quantum wells

The dependences of the longitudinal and Hall resistances on a magnetic field in the integer quantum Hall effect regime in n-InGaAs/GaAs heterostructures with a double quantum well are measured in the range of magnetic fields B = 0–16 T and temperatures T = 0.05–4.2 K, before and after infrared illumination. Analysis of the temperature dependence of the width of transitions between plateaus of the quantum Hall effect is performed in the scope of the scaling hypothesis allowing for electron-electron interaction effects.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Application of High-Frequency Electron Paramagnetic Resonance/Electron Spin Echo for the Identification of the Impurity Composition and Electronic Structure of Ceramics Based Garnets

Electron paramagnetic resonance (EPR) spectra of Ce{sup 3+}, Yb{sup 3+}, Cr{sup 3+}, and Gd{sup 3+} impurity ions in yttrium aluminum garnet Y{sub 3}Al{sub 5}O{sub 12} (YAG) ceramics were detected and identified at frequency of 94 GHz. The advantage of measuring the EPR spectra in the high-frequency range compared to the standard EPR technique is shown, which makes it possible to separate the EPR spectra characterized by different anisotropic g-factors and also to isolate the EPR signals due to the splitting of the fine structure for centers with high-spin states. In ceramics with a high content of magnetic Gd{sup 3+} ions, EPR and electron spin echo (ESE) spectra of multi-ionic gadolinium complexes were observed, and EPR spectra of complexes with the maximum number of exchange-coupled gadolinium ions are seen at low temperatures. The temperature dependences of the EPR spectra indicates ferromagnetic ordering of exchange-coupled complexes of gadolinium.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Features of the Debye Mode in an Electron Plasma at Various Degrees of the Electron Gas Degeneracy

We have considered the response of an electron plasma with an arbitrary degree of degeneration to an alternating electromagnetic field directed perpendicularly to the boundary of the plasma layer. The plasma screening of the electric field is determined by the Debye mode. The analysis of the behavior of this mode has been carried out depending on the parameters of the problem. For the first time, it has been shown that, ar sufficiently high degrees of the electron gas degeneracy, the range of the Debye mode existence has a substantially nontrivial character, in which the ranges of existence and absence of this mode alternate with increasing electric field frequency.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Electron Microscopy and Elemental Composition of the Near-Surface Layer of Electron-Irradiated LiF Crystals

Electron microscopy and optical vibrational spectroscopy techniques have been used to study Li nanoparticles formed on the cleaved surface of lithium fluoride (LiF) crystals irradiated by 4-MeV electron beam to a total fluence of 5 × 10{sup 16} cm{sup –2}. It is suggested that ionization accompanying this intense irradiation leads to radiolysis of the target and removal of fluorine from interblock boundaries, where lithium cations are collected and mutually oriented to form microwires. This functional surface may be of practical interest.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2016

The NASA Electronic Parts and Packaging (NEPP) Program: NEPP Overview - Automotive Electronics

The results of NASAs studies into the appropriateness of using U.S. Automotive electronic parts in NASA spaceflight systems will be presented. The first part of the presentation provides an overview of the United States Automotive Electronics Council's AECQ standardization program, the second part provides a summary of the results of NASA's procurement and testing experiences and other lessons learned along with preliminary test results.

Reliability↗
NASA NTRS2001

Electron-phonon relaxation in hot-electron detectors below 1 K

Recently proposed submillimeter hot-electron direct detecors based on normal metals and superconductors rely on the thermal coupling between electrons and phonons. The sensitivity of the detectors can be greatly enhanced if the coupling is made very weak at subkelvin temperatures.

hot-electron↗
DOE OSTI2016

The effects of electronic impurities and electron-hole recombination dynamics on large-grain organic-inorganic perovskite photovoltaic efficiencies

Hybrid organic-inorganic perovskites have attracted considerable attention after promising developments in energy harvesting and other optoelectronic applications. However, further optimization will require a deeper understanding of the intrinsic photophysics of materials with relevant structural characteristics. Here, the dynamics of photoexcited charge carriers in large-area grain organic-inorganic perovskite thin films is investigated via confocal time-resolved photoluminescence spectroscopy. It is found that the bimolecular recombination of free charges is the dominant decay mechanism at excitation densities relevant for photovoltaic applications. Bimolecular coefficients are found to be on the order of 10 –9 cm 3 s –1 , comparable to typical direct-gap semiconductors, yet significantly smaller than theoretically expected. It is also demonstrated that there is no degradation in carrier transport in these thin films due to electronic impurities. Here, suppressed electron–hole recombination and transport that is not limited by deep level defects provide a microscopic model for the superior performance of large-area grain hybrid perovskites for photovoltaic applications.

14 SOLAR ENERGY↗
DOE OSTI2017

The Role of Gas in Determining Image Quality and Resolution During In Situ Scanning Transmission Electron Microscopy Experiments

As gas-solid heterogeneous catalytic reactions are molecular in nature, a full mechanistic understanding of the process requires atomic scale characterization under realistic operating conditions. While atomic resolution imaging has become a routine in modern high-vacuum (scanning) transmission electron microscopy ((S)TEM), both image quality and resolution nominally degrade when reaction gases are introduced. In this work, we systematically assess the effects of different gases at various pressures on the quality and resolution of images obtained at room temperature in the annular dark field STEM imaging mode using a differentially pumped (DP) gas cell. This imaging mode is largely free from inelastic scattering effects induced by the presence of gases and retains good imaging properties over a wide range of gas mass/pressures. We demonstrate the application of the ESTEM with atomic resolution images of a complex oxide alkane oxidation catalyst MoVNbTeOx (M1) immersed in light and heavy gas environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Electron Microscopy Transfer System to Protect Atmosphere‐Sensitive Materials for Scanning Electron Microscopy Characterization

Atmosphere- and/or moisture-sensitive materials can be challenging to characterize using electron microscopy techniques due to sample preparation workflows that generally require exposure to ambient conditions. Here, we describe a novel preparation method that uses aluminum foil in combination with a commercial cryo-EM transfer system to circumvent undesired exposure to the atmosphere. First, hygroscopic MgCl 2 was used as a model material, and prepared samples (both protected and unprotected) were placed in a controlled-humidity environment (> 80% relative humidity) for various exposure lengths (circa seconds to hours). Following this, the effectiveness of the sample preparation method was determined by comparing qualitative photos and quantitative X-ray diffraction patterns between the two sample subsets. The combined results of these experiments suggest that the outlined preparation method effectively protects MgCl 2 from atmospheric contamination compared to MgCl 2 samples that had no protective measures taken. Finally, the preparation method was utilized to protect a highly hygroscopic crystalline BaO thin film for characterization via scanning electron microscopy, thereby demonstrating a functional application of the outlined preparation technique and an additional use for the commercial cryo-EM transfer system beyond its intended application.

atmosphere-sensitive materials↗
DOE OSTI2019

Measuring color memory in a color glass condensate at electron–ion colliders

The color memory effect is the non-abelian gauge theory analog of the gravitational memory effect, in which the passage of color radiation induces a net relative SU(3) color rotation of a pair of nearby quarks. It is proposed that this effect can be measured in the Regge limit of deeply inelastic scattering at electron–ion colliders.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Detecting Fermi-level shifts by Auger electron spectroscopy in Si and GaAs

In this paper, changes in surface Fermi-level of Si and GaAs, caused by doping and cleaning, are investigated by Auger electron spectroscopy. Based on the Auger voltage contrast, we compared the Auger transition peak energy but with higher accuracy by using a more accurate detector and an improved peak position determination method. For silicon, a peak shift as large as 0.46 eV was detected when comparing a cleaned p-type and n-type wafer, which corresponds rather well with the theoretical difference in Fermi-level. If no cleaning was applied, the peak position did not differ significantly for both wafer types, indicating Fermi-level pinning in the band gap. For GaAs, peak shifts were detected after cleaning with HF and (NH4)2S-solutions in an inert atmosphere (N2-gas). Although the (NH4)2S-cleaning in N2 is very efficient in removing the oxygen from the surface, the observed Ga- and As-peak shifts are smaller than those obtained after the HF-cleaning. It is shown that the magnitude of the shift is related to the surface composition. After Si-deposition on the (NH4)2S-cleaned surface, the Fermi-level shifts back to a similar position as observed for an as-received wafer, indicating that this combination is not successful in unpinning the Fermi-level of GaAs. This work has been funded by J.D.'s PhD fellowship of the Fund of Scientific Research-Flanders (FWO-V) (Dossier No. 11U4516N). P.H. acknowledges support from Becas Chile-CONICYT. This research was also supported by the FWO Odysseus Program, the Belgian Hercules Stichting with the Project No. Her/08/25 and AKUL/13/19 and the KU Leuven project GOA "Fundamental challenges in Semiconductor Research". The authors would also like to thank Bastiaan Opperdoes and Ludwig Henderix for technical support. The work was supported by the U.S. Department of Energy (USDOE), Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, and performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). Battelle operates PNNL for the USDOE under contract DE-AC05-76RL01830.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2020

GPU acceleration of all-electron electronic structure theory using localized numeric atom-centered basis functions

We present an implementation of all-electron density-functional theory for massively parallel GPU-based platforms, using localized atom-centered basis functions and real-space integration grids. Special attention is paid to domain decomposition of the problem on non-uniform grids, which enables compute- and memory-parallel execution across thousands of nodes for real-space operations, e.g. the update of the electron density, the integration of the real-space Hamiltonian matrix, and calculation of Pulay forces. To assess the performance of our GPU implementation, we performed benchmarks on three different architectures using a 103-material test set. We find that operations which rely on dense serial linear algebra show dramatic speedups from GPU acceleration: in particular, SCF iterations including force and stress calculations exhibit speedups ranging from 4.5 to 6.6. For the architectures and problem types investigated here, this translates to an expected overall speedup between 3–4 for the entire calculation (including non-GPU accelerated parts), for problems featuring several tens to hundreds of atoms. Additional calculations for a 375-atom Bi2Se3 bilayer show that the present GPU strategy scales for large-scale distributed-parallel simulations.

42 ENGINEERING↗
DOE OSTI2015

Equation of motion coupled cluster methods for electron attachment and ionization potential in polyacenes

Polyacenes have attracted considerable attention due to their use in organic based optoelectronic materials. Polyacenes are polycyclic aromatic hydrocarbons composed of fused benzene rings. Key to understanding and design of new functional materials is an understanding of their excited state properties starting with their electron affinity (EA) and ionization potential (IP). We have developed a highly accurate and com- putationally e*fficient EA/IP equation of motion coupled cluster singles and doubles (EA/IP-EOMCCSD) method that is capable of treating large systems and large basis set. In this study we employ the EA/IP-EOMCCSD method to calculate the electron affinity and ionization potential of naphthalene, anthracene, tetracene, pentacene, hex- acene and heptacene. We have compared our results with other previous theoretical studies and experimental data. Our EA/IP results are in very good agreement with experiment and when compared with the other theoretical investigations our results represent the most accurate calculations as compared to experiment.

benzene↗
DOE OSTI2021

Electronic structure of reduced CeO 2 (111) surfaces interacting with hydrogen as revealed through electron energy loss spectroscopy in comparison with theoretical investigations

Based on both, ab-initio cluster calculations as well as periodic density functional based loss function calculations, we have assigned the origins of the valence electron excitation regime in electron energy loss spectra of well-ordered ceria films in (111) orientation at various states of reduction as well as after exposing the reduced films to hydrogen from the gas phase (Li et al, Angew. Chem. Int. Ed., 58 (2019) 14686–14693). The explicit calculation of intensity distributions using the dipole approximation allow us to draw conclusions about the nature of oxygen vacancies, which occur upon reduction and how those interact with hydrogen to form hydride species. Herein, we also reports a brief discussion of vibrational excitations of hydrogen loaded ceria and corroborates previous interpretations, based on inelastic neutron scattering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗