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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 163 records · Page 9

Correlated structural and electronic phase transformations in transition metal chalcogenide under high pressure

Here, we report comprehensive studies on the high-pressure structural and electrical transport properties of the layered transition metal chalcogenide (Cr{sub 2}S{sub 3}) up to 36.3 GPa. A structural phase transition was observed in the rhombohedral Cr{sub 2}S{sub 3} near 16.5 GPa by the synchrotron angle dispersive X-ray diffraction measurement using a diamond anvil cell. Through in situ resistance measurement, the electric resistance value was detected to decrease by an order of three over the pressure range of 7–15 GPa coincided with the structural phase transition. Measurements on the temperature dependence of resistivity indicate that it is a semiconductor-to-metal transition in nature. The results were also confirmed by the electronic energy band calculations. Above results may shed a light on optimizing the performance of Cr{sub 2}S{sub 3} based applications under extreme conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Electron reconstruction and identification efficiency measurements with the ATLAS detector using the 2011 LHC proton–proton collision data

Many of the interesting physics processes to be measured at the LHC have a signature involving one or more isolated electrons. The electron reconstruction and identification efficiencies of the ATLAS detector at the LHC have been evaluated using proton–proton collision data collected in 2011 at √s = 7 TeV and corresponding to an integrated luminosity of 4.7 fb -1 . Tag-and-probe methods using events with leptonic decays of W and Z bosons and J/ψ mesons are employed to benchmark these performance parameters. The combination of all measurements results in identification efficiencies determined with an accuracy at the few per mil level for electron transverse energy greater than 30 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Electronic Transport in Lithiated Iron and Bismuth Fluoride

Metal networks are formed during the lithiation of metal fluorides. Previous reports indicate that these networks are bi-continuous with the possibility to support electronic transport, though no quantitative analysis has been performed. In this study, thin films of FeF 2 and BiF 3 were chemically lithiated using n-butyllithium to form these metal networks. Direct current (DC) polarization and electrochemical impedance spectroscopy (EIS) were utilized to find electronic conductivity and results were compared to their pure metals. Here, the results indicate films to have higher than expected conductivity value which indicates that these metal networks support electronic transport during lithiation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

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↗

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↗

Mapping magnetic fields of Fe{sub 3}O{sub 4} nanosphere assemblies by electron holography

Crystalline Fe{sub 3}O{sub 4} nanospheres with averaged diameters of 150 nm have been synthesized by a facile solvothermal method and characterized using transmission electron microscopy and electron holography. The nanospheres can self-assemble into either chain-like or ring-like shapes with sizes of a few micrometers, where large magnetic moments are found for individual particles at the remanent state and lead to strong fringing field in vicinity of the assemblies. Magnetic dipolar moments can be aligned both within and out of the sample plane, with a typical length scale on the order of 500 nm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Demonstration of Surface Electron Rejection with Interleaved Germanium Detectors for Dark Matter Searches

The SuperCDMS experiment in the Soudan Underground Laboratory searches for dark matter with a 9-kg array of cryogenic germanium detectors. Symmetric sensors on opposite sides measure both charge and phonons from each particle interaction, providing excellent discrimination between electron and nuclear recoils, and between surface and interior events. Furthermore, surface event rejection capabilities were tested with two 210 Pb sources producing ~130 beta decays/hr. We found that in ~800 live hours, no events leaked into the 8–115 keV signal region, giving upper limit leakage fraction 1.7 x 10 -5 at 90% C.L., corresponding to<0.6 surface event background in the future 200-kg SuperCDMS SNOLAB experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

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↗

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↗

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↗

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↗

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↗

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↗