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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

The beta-SiC(100) surface studied by low energy electron diffraction, Auger electron spectroscopy, and electron energy loss spectra

The beta-SiC(100) surface has been studied by low energy electron diffraction, Auger electron spectroscopy, high resolution electron energy loss spectra (HREELS), and core level excitation EELS. Two new Si-terminated phases have been discovered, one with (3 x 2) symmetry, and the other with (2 x 1) symmetry. Models are presented to describe these phases. New results, for the C-rich surface, are presented and discussed. In addition, core level excitation EELS results are given and compared with theory.

Dayan, M.↗
DOE OSTI2015

Coupling of magnetic electron drift vortex mode with longitudinal perturbations in collision-less and dissipative electron and electron-ion plasmas

The plasma density non-uniformity gives rise to the coupling of transverse magnetic electron drift vortex (MEDV) mode with the longitudinal perturbations in dissipative and non-dissipative electron plasmas. This coupling produces partially transverse and partially longitudinal low frequency instabilities in classical un-magnetized laser plasmas. The MEDV mode couples with the ion acoustic wave, when the ion dynamics is also included. Both the modes have frequencies of the same order of magnitude and couple to give rise to electromagnetic instabilities in un-magnetized plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Going with the Electron Flow: Heme Electronic Structure and Electron Transfer in Cytochrome c

Heme is an essential and functionally versatile cofactor. Our understanding of how the environment of a heme in a protein tunes its function has benefited from spectroscopic and functional investigations of heme proteins and their variants with altered heme environments. Two properties of current interest are the conformation of the heme and hydrogen bonding to heme propionates. By combining nuclear magnetic resonance experiments and density functional theory calculations, both of these characteristics have been shown to influence the distribution of the singly occupied molecular orbital on the heme of ferricytochrome c, which affects coupling to redox partners and electron-transfer rates. In addition, heme conformation has been shown to tune reduction potential. These results reveal that subtle variations in heme conformation and in interactions with its propionates can have significant impacts on electron-transfer activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Tuning the electronic structure of SrTiO{sub 3}/SrFeO{sub 3−x} superlattices via composition and vacancy control

Using density functional theory-based calculations, we explore the effects of oxygen vacancies and epitaxial layering on the atomic, magnetic, and electronic structure of (SrTiO{sub 3}){sub n}(SrFeO{sub 3−x}){sub 1} superlattices. While structures without oxygen vacancies (x = 0) possess small or non-existent band gaps and ferromagnetic ordering in their iron layers, those with large vacancy concentrations (x = 0.5) have much larger gaps and antiferromagnetic ordering. Though the computed gaps depend numerically on the delicate energetic balance of vacancy ordering and on the value of Hubbard U{sub eff} used in the calculations, we demonstrate that changes in layering can tune the band gaps of these superlattices below that of SrTiO{sub 3} (3.2 eV) by raising their valence band maxima. This suggests the possibility that these superlattices could absorb in the solar spectrum, and could serve as water-splitting photocatalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Electronic structure and optical properties of CdS{sub x}Se{sub 1−x} solid solution nanostructures from X-ray absorption near edge structure, X-ray excited optical luminescence, and density functional theory investigations

The electronic structure and optical properties of a series of iso-electronic and iso-structural CdS{sub x}Se{sub 1−x} solid solution nanostructures have been investigated using X-ray absorption near edge structure, extended X-ray absorption fine structure, and X-ray excited optical luminescence at various absorption edges of Cd, S, and Se. It is found that the system exhibits compositions, with variable local structure in-between that of CdS and CdSe accompanied by tunable optical band gap between that of CdS and CdSe. Theoretical calculation using density functional theory has been carried out to elucidate the observations. It is also found that luminescence induced by X-ray excitation shows new optical channels not observed previously with laser excitation. The implications of these observations are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Electron heating in low pressure capacitive discharges revisited

The electrons in capacitively coupled plasmas (CCPs) absorb energy via ohmic heating due to electron-neutral collisions and stochastic heating due to momentum transfer from high voltage moving sheaths. We use Particle-in-Cell (PIC) simulations to explore these heating mechanisms and to compare the PIC results with available theories on ohmic and stochastic heating. The PIC results for ohmic heating show good agreement with the ohmic heating calculation of Lafleur et al. [Phys. Plasmas 20, 124503 (2013)]. The PIC results for stochastic heating in low pressure CCPs with collisionless sheaths show good agreement with the stochastic heating model of Kaganovich et al. [IEEE Trans. Plasma Sci. 34, 696 (2006)], which revises the hard wall asymptotic model of Lieberman [IEEE Trans. Plasma Sci. 16, 638 (1988)] by taking current continuity and bulk oscillation into account.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Enhanced thermoelectric power and electronic correlations in RuSe{sub 2}

We report the electronic structure, electric and thermal transport properties of Ru{sub 1−x}Ir{sub x}Se{sub 2} (x ≤ 0.2). RuSe{sub 2} is a semiconductor that crystallizes in a cubic pyrite unit cell. The Seebeck coefficient of RuSe{sub 2} exceeds −200 μV/K around 730 K. Ir substitution results in the suppression of the resistivity and the Seebeck coefficient, suggesting the removal of the peaks in density of states near the Fermi level. Ru{sub 0.8}Ir{sub 0.2}Se{sub 2} shows a semiconductor-metal crossover at about 30 K. The magnetic field restores the semiconducting behavior. Our results indicate the importance of the electronic correlations in enhanced thermoelectricity of RuSb{sub 2}.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Ultra-broadband 2D electronic spectroscopy of carotenoid-bacteriochlorophyll interactions in the LH1 complex of a purple bacterium

We investigate the excitation energy transfer (EET) pathways in the photosynthetic light harvesting 1 (LH1) complex of purple bacterium Rhodospirillum rubrum with ultra-broadband two-dimensional electronic spectroscopy (2DES). We employ a 2DES apparatus in the partially collinear geometry, using a passive birefringent interferometer to generate the phase-locked pump pulse pair. This scheme easily lends itself to two-color operation, by coupling a sub-10 fs visible pulse with a sub-15-fs near-infrared pulse. This unique pulse combination allows us to simultaneously track with extremely high temporal resolution both the dynamics of the photoexcited carotenoid spirilloxanthin (Spx) in the visible range and the EET between the Spx and the B890 bacterio-chlorophyll (BChl), whose Q{sub x} and Q{sub y} transitions peak at 585 and 881 nm, respectively, in the near-infrared. Global analysis of the one-color and two-color 2DES maps unravels different relaxation mechanisms in the LH1 complex: (i) the initial events of the internal conversion process within the Spx, (ii) the parallel EET from the first bright state S{sub 2} of the Spx towards the Q{sub x} state of the B890, and (iii) the internal conversion from Q{sub x} to Q{sub y} within the B890.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Generating femtosecond X-ray pulses using an emittance-spoiling foil in free-electron lasers

Generation of femtosecond to sub-femtosecond pulses is attracting much attention in X-ray free-electron laser user community. One method is to use a slotted, emittance-spoiling foil which was proposed before (P. Emma et al., Phys. Rev. Lett. 92, 074801 (2004)) and has been widely used at the Linac Coherent Light Source. Direct experimental characterization of the slotted-foil performance was previously unfeasible due to a lack of appropriate diagnostics. With a recently installed X-band radio-frequency transverse deflector, we are able to characterize the electron bunch spoiling effect and X-ray pulse when using the slotted foil. We show that few-femtosecond X-ray pulses are generated with flexible control of the single-pulse duration or double-pulse separation with comparison to the theoretical model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Clinical implementation of total skin electron irradiation treatment with a 6 MeV electron beam in high-dose total skin electron mode

Total skin electron irradiation (TSEI) is a special treatment technique offered by modern radiation oncology facilities, given for the treatment of mycosis fungoides, a rare skin disease, which is type of cutaneous T-cell lymphoma [1]. During treatment the patient’s entire skin is irradiated with a uniform dose. The aim of this work is to present implementation of total skin electron irradiation treatment using IAEA TRS-398 code of practice for absolute dosimetry and taking advantage of the use of radiochromic films.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

Analysis of compositional uniformity in Al{sub x}Ga{sub 1−x}N thin films using atom probe tomography and electron microscopy

Calculated frequency distributions of atom probe tomography reconstructions (∼80 nm field of view) of very thin Al{sub x}Ga{sub 1−x}N (0.18 ≤ x ≤ 0.51) films grown via metalorganic vapor phase epitaxy on both (0001) GaN/AlN/SiC and (0001) GaN/sapphire heterostructures revealed homogeneous concentrations of Al and chemically abrupt Al{sub x}Ga{sub 1−x}N/GaN interfaces. The results of scanning transmission electron microscopy and selected area diffraction corroborated these results and revealed that neither superlattice ordering nor phase separation was present at nanometer length scales.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Electron-Beam Shaping in the Transmission Electron Microscope: Control of Electron-Beam Propagation Along Atomic Columns

We present a detailed analysis of the propagation of high-energy electron beams that have different shapes in a crystal of [100]-oriented zincblende GaN. Our study primarily focuses on Bessel beams and makes use of reformulated Bloch wave and multislice simulations. As a result of the simplicity of the momentum spectrum of a Bessel beam and the symmetry of the crystal, its propagation in the material can be described in a free-space representation, providing a deeper understanding of channeling phenomena and of probe intensity oscillation in the propagation direction. We also consider aperture-limited and Gaussian beams. As a result, the latter probes are shown to be optimal for coupling to 1s Bloch states and achieving minimal spreading along atomic columns.

74 ATOMIC AND MOLECULAR PHYSICS↗