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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Transmission electron microscopy studying of structural features of NiTi B2 phase formed under pulsed electron-beam impact

By transmission electron microscopy method the evolution of structural-phase states on a depth of close to equiatomic NiTi modified layer has been studied. Modification performed by pulse impact on its surface low-energy high-current electron beam (beam energy density 10 J/sm{sup 2}, 10 pulses, pulse duration 50mks). It is established that during the treatment in the layer thickness of 8–10 μm, the melting of primary B2 phase and contained therein as Ti2Ni phase particles occurs. The result is change in the concentration ratio of titanium and nickel in the direction of increasing titanium content, which was confirmed by X-ray analysis in the form of increased unit cell parameter B2 phase. Analysis of the electron diffraction pattern showed that the modified layer is characterized as a highly distorted structure on the basis of bcc lattice. Lattice distortions are maximal near the surface and extends to a depth of melt. In subjacent layer there is gradual decline lattice distortions is observed.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Fabrication of FeSi and Fe{sub 3}Si compounds by electron beam induced mixing of [Fe/Si]{sub 2} and [Fe{sub 3}/Si]{sub 2} multilayers grown by focused electron beam induced deposition

Fe-Si binary compounds have been fabricated by focused electron beam induced deposition by the alternating use of iron pentacarbonyl, Fe(CO){sub 5}, and neopentasilane, Si{sub 5}H{sub 12} as precursor gases. The fabrication procedure consisted in preparing multilayer structures which were treated by low-energy electron irradiation and annealing to induce atomic species intermixing. In this way, we are able to fabricate FeSi and Fe{sub 3}Si binary compounds from [Fe/Si]{sub 2} and [Fe{sub 3}/Si]{sub 2} multilayers, as shown by transmission electron microscopy investigations. This fabrication procedure is useful to obtain nanostructured binary alloys from precursors which compete for adsorption sites during growth and, therefore, cannot be used simultaneously.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Photodissociation of aqueous I3− observed with liquid-phase ultrafast mega-electron-volt electron diffraction

Developing femtosecond resolution methods for directly observing structural dynamics is critical to understanding complex photochemical reaction mechanisms in solution. We have used two recent developments, ultrafast mega-electron-volt electron sources and vacuum compatible sub-micron thick liquid sheet jets, to enable liquid-phase ultrafast electron diffraction (LUED). We have demonstrated the viability of LUED by investigating the photodissociation of tri-iodide initiated with a 400 nm laser pulse. This has enabled the average speed of the bond expansion to be measured during the first 750 fs of dissociation and the geminate recombination to be directly captured on the picosecond time scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Proton form factors and two-photon exchange in elastic electron-proton scattering

Proton electromagnetic form factors are among the most important sources of information about the internal structure of the proton. Two different methods for measuring these form factors, the method proposed by Rosenbluth and the polarization-transfer method, yield contradictory results. It is assumed that this contradiction can be removed upon taking into account the hard part of the contribution of two-photon exchange to the cross section for elastic electron-proton scattering. This contribution can measured experimentally via a precision comparison of the cross sections for the elastic scattering of positrons and electrons on protons. Such a measurement, performed at the VEPP-3 storage ring in Novosibirsk at the beam energies of 1.6 and 1.0 GeV for positron (electron) scattering angles in the ranges of θ{sub e} = 15°–25° and 55°–75° in the first case and in the range of θ{sub e} = 65°–105° in the second case is described in the present article. Preliminary results of this experiment and their comparison with theoretical predictions are described.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Effects of the electron-electron interaction in the spin resonance in 2D systems with Dresselhaus spin-orbit coupling

The effect of the electron-electron interaction on the spin-resonance frequency in two-dimensional electron systems with Dresselhaus spin-orbit coupling is investigated. The oscillatory dependence of many-body corrections on the magnetic field is demonstrated. It is shown that the consideration of many-body interaction leads to a decrease or an increase in the spin-resonance frequency, depending on the sign of the g factor. It is found that the term cubic in quasimomentum in Dresselhaus spin-orbit coupling partially decreases exchange corrections to the spin resonance energy in a two-dimensional system.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Parallel electron heating in the magnetospheric inflow region: Electron Heating in Reconnection

We analyzed 20 reconnection events observed by the Magnetosphere MultiScale mission, finding that in a subregion of the magnetospheric inflow, the electron temperature parallel to the magnetic field (T e|| ) decreases toward the separatrix with increasing densities. Such Te|| variation is not consistent with the heating through the parallel potential mechanism for magnetospheric electrons. Associated with the change in T e|| , low-energy gyrotropic magnetosheath-like electrons are observed. These electrons may come from the magnetosheath, penetrate to the magnetospheric side possibly due to waves in the lower hybrid frequency range, and do not experience as much energization as those from deeper in the magnetosphere. In addition, as T e|| decreases, the high-energy field-aligned phase-space densities decrease or fluctuate significantly over time. Wave-particle interaction might produce energy conversion and cause the high-energy phase-space density variations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Silk Flexible Electronics: From Bombyx mori Silk Ag Nanoclusters Hybrid Materials to Mesoscopic Memristors and Synaptic Emulators

Functionalization of flexible materials based on mesoscopic reconstruction is a key strategy in fabricating biocompatible flexible electronics. This work is to acquire new mesoscopic bioelectronic hybrid materials of silk fibroin (SF)-Ag nanoclusters (AgNCs@BSA; BSA: bovine serum albumin), which enhance significantly the performance of silk memristors. It is to build AgNCs@BSA into SF mesoscopic networks by templated ß-crystallization. Atomic force microscopy potential probing indicates that AgNCs@BSA serve as electronic potential wells that change completely the transport behavior of charge particles within the SF films. This leads to significant enhancement in the switching speed (˜10 ns), very good switching stability, extremely low set/reset voltages (0.3/-0.18 V) of SF meso-hybrid memristors, compared with the original and other organic memristors, and displays unique synapse characteristics and the capability of synapse learning. Classical density functional theory Poisson–Nernst–Planck simulations indicate that the enhanced performance is subject to the low potential paths interconnecting the AgNCs@BSA, which guide charges' transport (Ag+) and deposition in SF films.

Shi, Chenyang↗
DOE OSTI2018

Electronic Structure and Band Alignment of LaMnO 3 /SrTiO 3 Polar/Nonpolar Heterojunctions

The behavior of polar LaMnO3 (LMO) thin films deposited epitaxially on non-polar SrTiO3(001) (STO) is dictated by both the LMO/STO band alignment and the chemistry of the Mn cation. Using in situ x-ray photoelectron spectros-copy (XPS), we directly measure the valence band offset (VBO) of LMO/STO heterojunctions as a function of thickness, and find that the VBO is 2.5 eV for thicker (= 3 u.c.) films. We find no evidence of a built-in potential in LMO films of any thickness. Measurements of the Mn valence by Mn L-edge x-ray absorption spectroscopy (XAS) and by spatially-resolved electron energy loss spectra in scanning transmission electron microscopy images (STEM-EELS) reveal that Mn2+ is present at the LMO surface, but not at the LMO/STO interface. These results are corroborated by DFT simula-tions that confirm a VBO of approximately 2.5 eV for both ideal and intermixed interfaces. We propose a model for the behavior of polar / non-polar LMO/STO heterojunctions in which the built-in potential is alleviated by the formation of oxygen vacancies at the LMO surface.

Kaspar, Tiffany C.↗
DOE OSTI2019

Triphenylene‐Derived Electron Acceptors and Donors on Ag(111): Formation of Intermolecular Charge‐Transfer Complexes with Common Unoccupied Molecular States

Abstract Over the past years, ultrathin films consisting of electron donating and accepting molecules have attracted increasing attention due to their potential usage in optoelectronic devices. Key parameters for understanding and tuning their performance are intermolecular and molecule–substrate interactions. Here, the formation of a monolayer thick blend of triphenylene‐based organic donor and acceptor molecules from 2,3,6,7,10,11‐hexamethoxytriphenylene (HAT) and 1,4,5,8,9,12‐hexaazatriphenylenehexacarbonitrile (HATCN), respectively, on a silver (111) surface is reported. Scanning tunneling microscopy and spectroscopy, valence and core level photoelectron spectroscopy, as well as low‐energy electron diffraction measurements are used, complemented by density functional theory calculations, to investigate both the electronic and structural properties of the homomolecular as well as the intermixed layers. The donor molecules are weakly interacting with the Ag(111) surface, while the acceptor molecules show a strong interaction with the substrate leading to charge transfer and substantial buckling of the top silver layer and of the adsorbates. Upon mixing acceptor and donor molecules, strong hybridization occurs between the two different molecules leading to the emergence of a common unoccupied molecular orbital located at both the donor and acceptor molecules. The donor acceptor blend studied here is, therefore, a compelling candidate for organic electronics based on self‐assembled charge‐transfer complexes.

Müller, Kathrin↗
DOE OSTI2022

Complete collision data set for electrons scattering on molecular hydrogen and its isotopologues: III. Vibrational excitation via electronic excitation and radiative decay

We present state-resolved cross sections for vibrational excitation via electronic excitation followed by radiative decay (ERD), for electrons scattering on all bound vibrational levels of the ground electronic state ($X\hspace{1.5 mm} ^1Σ_g^+$) of molecular hydrogen and its isotopologues (H 2 , HD, HT, D 2 , DT and T 2 ). We consider excitation of the singlet $\textit{n}$ = 2–3 states (where n refers to the united-atoms-limit principle quantum number) and account for all possible decay pathways back to the bound vibrational levels of the ground electronic state ($X\hspace{1.5 mm} ^1Σ_g^+$) to produce an estimate for the ERD cross sections. A selection of the results are presented in graphical form and a full data set is provided as both numerical values and analytic fit functions in supplementary data files. The uncertainty in the cross sections is estimated to be 11%, except for scattering on the highest bound vibrational level of HD, HT, D 2 , and DT, where the uncertainty is 21%. The data can be downloaded from the MCCC database at mccc-db.org.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Two-photon absorption of soft X-ray free electron laser radiation by graphite near the carbon K-absorption edge

We have examined the transmission of soft X-ray pulses from the FERMI free electron laser through carbon films of varying thickness, quantifying nonlinear effects of pulses above and below the carbon K-edge. At typical of soft X-ray free electron laser intensities, pulses exhibit linear absorption at photon energies above and below the K-edge, ~308 and ~260 eV, respectively; whereas two-photon absorption becomes significant slightly below the K-edge, ~284.2 eV. The measured two-photon absorption cross section at 284.18 eV (~6 x 10-48 cm4 s) is 7 orders of magnitude above what is expected from a simple theory based on hydrogen-like atoms - a result of resonance effects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Effects of soluble flavin on heterogeneous electron transfer between surface-exposed bacterial cytochromes and iron oxides

Dissimilatory iron-reducing bacteria can utilize insoluble Fe(Mn)-oxides as a terminal electron acceptor under anaerobic conditions. For Shewanella species specifically, some evidence suggests that iron reduction is associated with the secretion of flavin mononucleotide (FMN) and riboflavin that are proposed to mediate electron transfer (Marsili et al., 2008). In this work, we used methyl viologen (MV•+)-encapsulated, porin-cytochrome complex (MtrCAB) embedded liposomes (MELs) as a synthetic model of the Shewanella outer membrane to investigate the proposed mediating behavior of secreted flavins. The reduction kinetics of goethite, hematite and lepidocrocite (200 µM) by MELs ([MV•+] ~ 42 µM and MtrABC ≤ 1 nM) were determined in the presence FMN at pH 7.0 in N2 atmosphere by monitoring the concentrations of MV•+ and FMN through their characteristic UV-visible absorption spectra. Experiments were performed where i) FMN and Fe(III)-oxide were mixed and then reacted with the reduced MELs and ii) FMN was reacted with the reduced MELs followed by addition of Fe(III)-oxide. The redox reactions proceeded in two steps: a fast step that was completed in a few seconds, and a slower one lasting over 400 seconds. For all three Fe(III)-oxides, the initial reaction rate in the presence of a low concentration of FMN (≤ 1 µM) was at least a factor of five faster than those with MELs alone, and orders of magnitude faster than those by FMNH2, suggesting that FMN may serve as a co-factor that enhances electron transfer from outer-membrane c-cytochromes to Fe(III)-oxides. The rate and extent of the initial reaction followed the order of lepidocrocite > hematite > goethite, the same as their reduction potentials, implying thermodynamic control on reaction rate. However, at higher FMN concentrations (> 1 µM), the reaction rates for both steps decreased and varied inversely with FMN concentration, indicating that FMN inhibited the MEL to Fe(III)-oxide electron transfer reaction. The implications of the observed kinetic behaviors to flavin-mediated Fe(III) oxide reduction in natural environments are discussed.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2017

Electronic structure and reactivity studies of a nonsymmetric one-electron oxidized Cu II bis-phenoxide complex

Here, the tetradentate mixed imino/amino phenoxide ligand (N-(3,5-di- tert -butylsalicylidene)-N'-(2-hydroxyl-3,5-di-tert-butylbenzyl))- trans -1,2-cyclohexanediamine (salalen) was complexed with Cu II , and the resulting Cu complex (2) was characterized by a number of experimental techniques and theoretical calculations. Two quasi-reversible redox processes for 2, as observed by cyclic voltammetry, demonstrated the potential stability of oxidized forms, and also the increased electron-donating ability of the salalen ligand in comparison to the salen analogue. The electronic structure of the one-electron oxidized [2] + was studied in detail, and Cu K-edge X-ray Absorption Spectroscopy (XAS) measurements confirmed a Cu II -phenoxyl radical complex in solution. Resonance Raman (rR) and variable temperature 1 H NMR studies, coupled with theoretical calculations, showed that [2 • ] + is a triplet (S = 1) Cu II -phenoxyl radical species, with localization of the radical on the more electron-rich aminophenoxide. Attempted isolation of X-ray quality crystals of [2 • ] + afforded [2H] + , with a protonated phenol bonded to Cu II , and an additional H-bonding interaction with the SbF 6 – counterion. Stoichiometric reaction of dilute solutions of [2 • ] + with benzyl alcohol showed that the complex reacts in a similar manner as the oxidized Cu II -salen analogue, and does not exhibit a substrate-binding pre-equilibrium as observed for the oxidized bis-aminophenoxide Cu II -salan derivative.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗