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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Growth Dynamics and Electron Reflectivity in Ultrathin Films of Chiral Heptahelicene on Metal (100) Surfaces Studied by Spin-Polarized Low Energy Electron Microscopy

Interaction of electrons with chiral matter gives rise to interesting phenomena such as the chirality-induced spin selectivity. The interdependence of reflectivity of spin-polarized low energy electrons and the absolute handedness of chiral molecules is investigated. First, the growth of homochiral films of helical aromatic hydrocarbons, so-called helicenes, on a Cu(100) surface is studied by means of low energy electron microscopy and scanning tunneling microscopy in ultrahigh vacuum. As soon as the coverage exceeds one monolayer, double-layer nucleation and growth is favored such that depletion in the first layer occurs. Spatially resolved work function measurements show that second-layer patches have a lower work function than first-layer areas. Reflectivity spectra of spin-polarized electrons do not show any asymmetry between homochiral films of the enantiomers. Laterally resolved work function measurements do not confirm work function differences such as those reported earlier for photoelectron studies of chiral peptide films on ferromagnetic substrates.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Porosity detection in electron beam-melted Ti-6Al-4V using high-resolution neutron imaging and grating-based interferometry

A high-resolution neutron tomography system and a grating-based interferometer are used to explore electron beam-melted titanium test objects. The high-resolution neutron tomography system (attenuation-based imaging) has a pixel size of 6.4 µm, appropriate for detecting voids near 25 µm over a (1.5 cm) 3 volume. The neutron interferometer provides dark-field (small-angle scattering) images with a pixel size of 30 µm. Moreover, the interferometer can be tuned to a scattering length, in this case, 1.97 µm, with a field-of-view of (6 cm)3. The combination of high-resolution imaging with grating-based interferometry provides a way for nondestructive testing of defective titanium samples. A chimney-like pore structure was discovered in the attenuation and dark-field images along one face of an electron beam-melted (EBM) Ti-6Al-4V cube. Tomographic reconstructions of the titanium samples are utilized as a source for a binary volume and for skeletonization of the pores. As a result, the dark-field volume shows features with dimensions near and smaller than the interferometer auto-correlation scattering length.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Electron bifurcation

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solar (fuels), biofuels (including algae and bioma↗
DOE OSTI2019

ComDMFT: A massively parallel computer package for the electronic structure of correlated-electron systems

ComDMFT is a massively parallel computational package to study the electronic structure of correlated-electron systems (CES). Our approach is a parameter-free method based on ab initio linearized quasiparticle self-consistent GW (LQSGW) and dynamical mean field theory (DMFT). The non-local part of the electronic self-energy is treated within ab initio LQSGW and the local strong correlation is treated within DMFT. In addition to ab initio LQSGW+DMFT, charge self-consistent LDA+DMFT methodology is also implemented, enabling multiple methods in one open-source platform for the electronic structure of CES. Here, this package can be extended for future developments to implement other methodologies to treat CES.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Monte Carlo calculation of large and small-angle electron scattering in air

A Monte Carlo method for angle scattering of electrons in air that accommodates the small-angle multiple scattering and larger-angle single scattering limits is introduced. The algorithm is designed for use in a particle-in-cell simulation of electron transport and electromagnetic wave effects in air. The method is illustrated in example calculations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Influence of the substrate temperature on the microstructure and electron-induced secondary electron emission properties of MgO/Au composite film

Highlights: • MgO/Au film was prepared by magnetron sputtering of individual Mg and Au targets. • A higher substrate temperature (T{sub s}) is conducive to the growth of MgO grains. • The surface roughness firstly rises and then decreases with T{sub s} increasing. • The increase of T{sub s} greatly enhances the SEE coefficient of the composite film. - Abstract: The influence of the substrate temperature (T{sub s}) on the microstructure and electron-induced secondary electron emission (SEE) properties of MgO/Au composite film prepared by reactive magnetron sputtering was investigated in order to improve the SEE performance of this composite film. During the deposition of MgO/Au film, a relatively high T{sub s} is conducive to the growth of MgO grains and causes the formation of some large aggregated gold particles on which MgO grains cover in the composite film. In terms of the SEE properties of MgO/Au film, the increase of T{sub s} brings about a significant improvement of SEE coefficient (δ), while it also leads to a slightly accelerated SEE degradation under the continuous electron bombardment due to a faster surface charging. The MgO/Au film prepared at T{sub s} of 773 K has a δ value of 4.9 at a primary electron energy of 200 eV and the maximum δ value of 11.5.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Isotope-Resolved Electron Energy Loss Spectroscopy in a Monochromated Scanning Transmission Electron Microscope

The development and implementation of high-stability monochromators in state-of-the-art aberration-corrected scanning transmission electron microscopes has enabled materials characterization with an energy resolution as good as 3 meV. This allows the vibrational modes, which would otherwise be obscured by the energy spread of the electron beam, to be probed with very high precision in molecular materials. Since the vibrational energies depend on the weight of the atomic nuclei, vibrational spectroscopy can distinguish isotopes whose only difference lies in their neutron content. This opens up isotopic analysis and mapping in transmission electron microscopy as two important new research areas. In this paper, we review the monochromated electron energy loss spectroscopy (EELS) instrumentation, discuss optimal methods for probing beam-sensitive materials without destroying them, and review key nanoscale isotope-resolved results.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

High-Endurance Magneto-Electronic Switchable Molecular Electronic Crystal

Electrically switchable magnetic and electronic properties are promising for quantum sensing and information technology. Here, we report an electrically driven magnetic and electronic phase transition in molecular electronic crystal, potassium-7,7,8,8-tetracyanoquinodimethan, with the magneto-electric switching over 105 cycles at room temperature. Electron spin resonance study reveals the cooperative transition between spin and charge degrees of freedom. In addition, the mechanistic spectroscopy studies suggest the charges in an inhomogeneous conductor–insulator mixed state. Furthermore, the findings shown here suggest electrically controlled ordering in strongly correlated molecular crystal leads to dynamic magneto-electric switching, paving the way for developing molecular-based memory and switching devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Carbohydrate-Containing Conjugated Polymers: Solvent-Resistant Materials for Greener Organic Electronics

Organic semiconducting polymers are exciting materials for electronic applications because of their good mechanical and optoelectronic properties. A major advantage of organic semiconductors is their solution processability. This allows access to a variety of simple and cost-effective device fabrication methods compared to the expensive, high-temperature processing methods required for silicon-based electronics. However, these materials often have low solubility, which limits their processing to toxic halogenated solvents. Also, their limited solubility often leads to interfacial mixing during device fabrication. Herein, this work explores the incorporation of environmentally friendly carbohydrate side chains in conjugated polymers to enhance processability in eco-friendly solvents. Moreover, a mild postprocessing treatment was designed to enable solvent resistance. Isoindigo-based polymers with varied ratios of acetyl-protected galactose side chains were synthesized to improve solubility in o-anisole in the protected state, while inducing solvent resistance through intramolecular hydrogen bonding in the deprotected state. Solvent resistance was confirmed both visually upon submersion in various solvents and using UV–visible spectroscopy. Importantly, the mild basic treatment to achieve solvent resistance has no negative impact on the electronic performance of these materials in organic field-effect transistors, even after subsequent submersion in various solvents, making them a valuable platform for the production of green processable multilayer electronics.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Electron–Nuclear Dynamics Accompanying Proton-Coupled Electron Transfer

Although photoinduced proton-coupled electron transfer (PCET) plays an essential role in photosynthesis, a full understanding of the mechanism is still lacking due to the complex nonequilibrium dynamics arising from the strongly coupled electronic and nuclear degrees of freedom. Here we report the photoinduced PCET dynamics of a biomimetic model system investigated by means of transient IR and two-dimensional electronic–vibrational (2DEV) spectroscopies, IR spectroelectrochemistry (IRSEC), and calculations utilizing long-range-corrected hybrid density functionals. This collective experimental and theoretical effort provides a nuanced picture of the complicated dynamics and synergistic motions involved in photoinduced PCET. In particular, the evolution of the 2DEV line shape, which is highly sensitive to the mixing of vibronic states, is interpreted by accurate computational modeling of the charge separated state and is shown to represent a gradual change in electron density distribution associated with a dihedral twist that occurs on a 120 fs time scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Ultra low-K shrinkage behavior when under electron beam in a scanning electron microscope

In this paper, we investigate the tendency of porous low-K dielectrics (also named Ultra Low-K, ULK) behavior to shrink when exposed to the electron beam of a scanning electron microscope. Various experimental electron beam conditions have been used for irradiating ULK thin films, and the resulting shrinkage has been measured through use of an atomic force microscope tool. We report the shrinkage to be a fast, cumulative, and dose dependent effect. Correlation of the shrinkage with incident electron beam energy loss has also been evidenced. The chemical modification of the ULK films within the interaction volume has been demonstrated, with a densification of the layer and a loss of carbon and hydrogen elements being observed.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Precision electron polarimetry

A new generation of precise Parity-Violating experiments will require a sub-percent accuracy of electron beam polarimetry. Compton polarimetry can provide such accuracy at high energies, but at a few hundred MeV the small analyzing power limits the sensitivity. Mo/ller polarimetry provides a high analyzing power independent on the beam energy, but is limited by the properties of the polarized targets commonly used. Options for precision polarimetry at 300 MeV will be discussed, in particular a proposal to use ultra-cold atomic hydrogen traps to provide a 100%-polarized electron target for Mo/ller polarimetry.

43 PARTICLE ACCELERATORS↗
DOE OSTI2013

Turbulent electron transport in edge pedestal by electron temperature gradient turbulence

We present a model for turbulent electron thermal transport at the edge pedestal in high (H)-mode plasmas based on electron temperature gradient (ETG) turbulence. A quasi-linear analysis of electrostatic toroidal ETG modes shows that both turbulent electron thermal diffusivity and hyper-resistivity exhibits the Ohkawa scaling in which the radial correlation length of turbulence becomes the order of electron skin depth. Combination of the Ohkawa scales and the plasma current dependence results in a novel confinement scaling inside the pedestal region. It is also shown that ETG turbulence induces a thermoelectric pinch, which may accelerate the density pedestal formation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Schottky barrier height measurements of Cu/Si(001), Ag/Si(001), and Au/Si(001) interfaces utilizing ballistic electron emission microscopy and ballistic hole emission microscopy

The Schottky barrier heights of both n and p doped Cu/Si(001), Ag/Si(001), and Au/Si(001) diodes were measured using ballistic electron emission microscopy and ballistic hole emission microscopy (BHEM), respectively. Measurements using both forward and reverse ballistic electron emission microscopy (BEEM) and (BHEM) injection conditions were performed. The Schottky barrier heights were found by fitting to a linearization of the power law form of the Bell-Kaiser BEEM model. The sum of the n-type and p-type barrier heights are in good agreement with the band gap of silicon and independent of the metal utilized. The Schottky barrier heights are found to be below the region of best fit for the power law form of the BK model, demonstrating its region of validity.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Effects of initially energetic electrons on relativistic laser-driven electron plasma waves

In this paper, using kinetic calculations and accurate 1D2V particle-in-cell simulations, we point out the important role of initially energetic electrons of the distribution tail in the behavior of high amplitude electron plasma waves (EPWs). In the presence of these electrons, the conventional warm fluid theory (WFT) breaks at very high wave amplitudes that are still noticeably lower than the wave breaking amplitude (WBA). The fluid breakdown results in electron super-heating with respect to the adiabatic laws. Indeed, a new kinetic regime of the relativistic EPWs appears below the WBA. It is argued that the mentioned super-heating results in WBA values lower than the corresponding WFT prediction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Direct imaging of electron recombination and transport on a semiconductor surface by femtosecond time-resolved photoemission electron microscopy

Much effort has been devoted to the development of techniques to probe carrier dynamics, which govern many semiconductor device characteristics. We report direct imaging of electron dynamics on semiconductor surfaces by time-resolved photoemission electron microscopy using femtosecond laser pulses. The experiments utilized a variable-repetition-rate femtosecond laser system to suppress sample charging problems. The recombination of photogenerated electrons and the lateral motion of the electrons driven by an external electric field on a GaAs surface were visualized. The mobility was estimated from a linear relationship between the drift velocity and the potential gradient.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Tuning electron-electron correlation in noncentrosymmetric superconductor BiPd

In this work, we have successfully tuned the electron-electron correlation in new noncentrosymmertic superconductor (NCS) BiPd via Pb substitution on one of the inequivalent Bi sites present in BiPd and simultaneously keeping the parent noncentrosymmetric crystal structure intact. Heat capacity data is suggesting a fourfold increase in density of states at Fermi level via Pb substitution while superconducting transition temperature has been suppressed. This work will clearly open up a rare chance to study the effect of electron–electron correlation via selective tuning of DOS at Fermi level in NCS.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Regulation of electron temperature gradient turbulence by zonal flows driven by trapped electron modes

Turbulent transport caused by electron temperature gradient (ETG) modes was investigated by means of gyrokinetic simulations. It was found that the ETG turbulence can be regulated by meso-scale zonal flows driven by trapped electron modes (TEMs), which are excited with much smaller growth rates than those of ETG modes. The zonal flows of which radial wavelengths are in between the ion and the electron banana widths are not shielded by trapped ions nor electrons, and hence they are effectively driven by the TEMs. It was also shown that an E × B shearing rate of the TEM-driven zonal flows is larger than or comparable to the growth rates of long-wavelength ETG modes and TEMs, which make a main contribution to the turbulent transport before excitation of the zonal flows.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗