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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Breaking of Inversion Symmetry and Interlayer Electronic Coupling in Bilayer Graphene Heterostructure by Structural Implementation of High Electric Displacement Fields

Controlling the interlayer coupling in two-dimensional (2D) materials generates novel electronic and topological phases. Its effective implementation is commonly done with a transverse electric field. However, phases generated by high displacement fields are elusive in this standard approach. Here, we introduce an exceptionally large displacement field by structural modification of a model system: AB-stacked bilayer graphene (BLG) on a SiC(0001) surface. We show that upon intercalation of gadolinium, electronic states in the top graphene layers exhibit a significant difference in the on-site potential energy, which effectively breaks the interlayer coupling between them. As a result, for energies close to the corresponding Dirac points, the BLG system behaves like two electronically isolated single graphene layers. This is proven by local scanning tunneling microscopy (STM)/spectroscopy, corroborated by density functional theory, tight binding, and multiprobe STM transport. Further, the work presents metal intercalation as a promising approach for the synthesis of 2D graphene heterostructures with electronic phases generated by giant displacement fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of β-Lactamases

The widespread design of covalent drugs has focused on crafting reactive groups of proper electrophilicity and positioning towards targeted amino-acid nucleophiles. In this work, we found that environmental electric fields projected onto a reactive chemical bond, an overlooked design element, play essential roles in the covalent inhibition of TEM-1 beta-lactamase by avibactam. Using the vibrational Stark effect, the magnitudes of the electric fields that are exerted by TEM active sites onto avibactam’s reactive C=O were measured and demonstrate an electrostatic gating effect that promotes bond formation yet relatively suppresses the reverse dissociation. These results suggest new principles of covalent drug design and off-target site prediction. Unlike shape and electrostatic complementary which address binding constants, electrostatic catalysis drives reaction rates, essential for covalent inhibition, and deepens our understanding of chemical reactivity, selectivity, and stability in complex systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Effects of collisional ion orbit loss on tokamak radial electric field and toroidal rotation in an L-mode plasma

Abstract Ion orbit loss has been used to model the formation of a strong negative radial electric field E r in the tokamak edge, as well as edge momentum transport and toroidal rotation. To quantitatively measure ion orbit loss, an orbit-flux formulation has been developed and numerically applied to the gyrokinetic particle-in-cell code XGC. We study collisional ion orbit loss in an axisymmetric DIII-D L-mode plasma using gyrokinetic ions and drift-kinetic electrons. Numerical simulations, where the plasma density and temperature profiles are maintained through neutral ionization and heating, show the formation of a quasisteady negative E r in the edge. We have measured a radially outgoing ion gyrocenter flux due to collisional scattering of ions into the loss orbits, which is balanced by the radially incoming ion gyrocenter flux from confined orbits on the collisional time scale. This suggests that collisional ion orbit loss can shift E r in the negative direction compared to that in plasmas without orbit loss. It is also found that collisional ion orbit loss can contribute to a radially outgoing (counter-current) toroidal-angular-momentum flux, which is not balanced by the toroidal-angular-momentum flux carried by ions on the confined orbits. Therefore, the edge toroidal rotation shifts in the co-current direction on the collisional time scale.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2013

Energy Band Gap Study of Semiconducting Single Walled Carbon Nanotube Bundle

The electronic properties of multiple semiconducting single walled carbon nanotubes (s-SWCNTs) considering various distribution inside a bundle are studied. The model derived from the proposed analytical potential function of the electron density for an individual s-SWCNT is general and can be easily applied to multiple nanotubes. This work demonstrates that regardless the number of carbon nanotubes, the strong coupling occurring between the closest neighbours reduces the energy band gap of the bundle by 10%. As expected, the coupling is strongly dependent on the distance separating the s-SWCNTs. In addition, based on the developed model, it is proposed to enhance this coupling effect by applying an electric field across the bundle to significantly reduce the energy band gap of the bundle by 20%.

potential function↗
NASA NTRSDate not supplied

Effects of Background Pressure and Electrical Configuration on the Velocity Field of the HERMeS Hall Thruster

A Laser-Induced Fluorescence test was performed during risk reduction testing on the HERMeS Hall thruster. This article focuses on the portion of the test to study trends in the ion acceleration characteristics with varying anode mass flow rate, background pressure, and electrical configuration. The acceleration zone of the HERMeS Hall thruster was observed to move upstream as the anode mass flow rate decreased and upstream as the background pressure increased. Examination of the characteristics of the ions near the pole covers suggested the possibility that thruster was no longer magnetically shielded at the extreme conditions of very low anode mass flow rate and high background pressure. The acceleration zone was also observed to move slightly upstream when the thruster body was floated as opposed to cathode-tied and did not move appreciably when the thruster body was grounded to the vacuum facility. Characteristics of the ions bombarding the pole covers did not vary across the tested electrical configurations.

Electric Propulsion↗
NASA NTRS1981

The electric field structure of auroral arcs as determined from barium plasma injection experiments

Barium plasma injection experiments have revealed a number of features of electric fields in and near auroral forms extending from a few hundred to many thousands of km in altitude. There is evidence for V-type potential structures over some auroras, but not in others. For some auroral arcs, large E fields are found at ionospheric altitudes outside the arc but the E field inside the arc is near zero. In a few other auroras, most recently one investigated in an experiment conducted from Poker Flat on March 22, 1980, large, rapidly fluctuating E fields were detected by barium plasma near 600 km altitude. These E fields suggest that the motion of auroral rays can be an effect of low-altitude electric fields, or that V-type potential structures may be found at low altitudes.

Wescott, E. M.↗
NASA NTRS1976

Initiation of non-tropical thunderstorms by solar activity

Correlative evidence accumulating since 1926 suggests that there must be some physical coupling mechanism between solar activity and thunderstorm occurrence in middle to high latitudes. Such a link may be provided by alteration of atmospheric electric parameters through the combined influence of high-energy solar protons and decreased cosmic ray intensities, both of which are associated with active solar events. The protons produce excess ionization near and above 20km, while the Forbush decreases a lowered conductivity and enhanced fair-weather atmospheric electric field below that altitude. Consequent effects ultimately lead to a charge distribution similar to that found in thunderclouds, and then other cloud physics processes take over to generate the intense electric fields required for lightning discharge.

Herman, J. R.↗
NASA NTRS1993

Loss of ring current O(+) ions due to interaction with Pc 5 waves

A test particle code is used here to investigate ring current ion interaction with Pc 5 waves, combined with convection and corotation electric fields, with emphasis on the loss of O(+) ions over the dayside magnetosphere. A new loss mechanism for the O(+) ions due to the combined effects of convection and corotation electric fields and interactions with Pc 5 waves via a magnetic drift-bound resonance is presented. For given fields, whether a particle gains or losses energy depends on its initial kinetic energy, pitch angle at the equatorial plane, and the position of its guiding center with respect to the azimuthal phase of the wave. The ring current O(+) ions show a dispersion in energies and L values with decreasing local time across the dayside, and a bulk shift to lower energies and higher L values. Due to interaction with the Pc 5 waves, the particle's kinetic energy can drop below that required to overcome the convection potential and the particle is lost to the dayside magnetopause by a sunward E x B drift.

Li, Xinlin↗
NASA NTRS2016

Electrically Driven Liquid Film Boiling Experiment

This presentation presents the science background and ground based results that form the basis of the Electrically Driven Liquid Film Boiling Experiment. This is an ISS experiment that is manifested for 2021. Objective: Characterize the effects of gravity on the interaction of electric and flow fields in the presence of phase change specifically pertaining to: a) The effects of microgravity on the electrically generated two-phase flow. b) The effects of microgravity on electrically driven liquid film boiling (includes extreme heat fluxes). Electro-wetting of the boiling section will repel the bubbles away from the heated surface in microgravity environment. Relevance/Impact: Provides phenomenological foundation for the development of electric field based two-phase thermal management systems leveraging EHD, permitting optimization of heat transfer surface area to volume ratios as well as achievement of high heat transfer coefficients thus resulting in system mass and volume savings. EHD replaces buoyancy or flow driven bubble removal from heated surface. Development Approach: Conduct preliminary experiments in low gravity and ground-based facilities to refine technique and obtain preliminary data for model development. ISS environment required to characterize electro-wetting effect on nucleate boiling and CHF in the absence of gravity. Will operate in the FIR - designed for autonomous operation.

Electrohydrodynamics↗
DOE OSTI2022

A Comparison of Radiation-Induced and High-Field Electrically Stress-Induced Interface Defects in Si/SiO 2 MOSFETs via Electrically Detected Magnetic Resonance

Here, we utilize electrically detected magnetic resonance (EDMR) measurements to compare high-field stressed, and gamma irradiated Si/SiO 2 metal–oxide–silicon (MOS) structures. We utilize spin-dependent recombination (SDR) EDMR detected using the Fitzgerald and Grove dc I-V approach to compare the effects of high-field electrical stressing and gamma irradiation on defect formation at and near the Si/SiO 2 interface. As anticipated, both greatly increase the concentration of P b centers (silicon dangling bonds at the interface) densities. The irradiation also generated a significant increase in the dc I-V EDMR response of E' centers (oxygen vacancies in the SiO 2 films), whereas the generation of an E' EDMR response in high-field stressing is much weaker than in the gamma irradiation case. These results likely suggest a difference in their physical distribution resulting from radiation damage and high electric field stressing.

42 ENGINEERING↗
DOE OSTI2025

Role of effective mass and long-range interactions in the band-gap renormalization of photoexcited semiconductors

Understanding how to control changes in the electronic structure and related dynamical renormalizations by external driving fields is the key for understanding ultrafast spectroscopy and applications in electronics. Here, we focus on the band gap's modulation by external electric fields and uncover the effect of band dispersion on the gap renormalization. We employ the Green's function formalism using the real-time Dyson expansion to account for dynamical correlations induced by photodoping. The many-body formalism captures the dynamics of systems with long-range interactions, carrier mobility, and variable electron and hole effective mass. We also demonstrate that mean-field simulations based on the Hartree-Fock Hamiltonian, which lacks dynamical correlations, yields a qualitatively incorrect picture of band-gap renormalization. We find the trend that increasing effective mass, thus decreasing mobility, leads to as much as a 6% enhancement in band-gap renormalization. Further, the renormalization is strongly dependent on the degree of photodoping. As the screening induced by free electrons and holes effectively reduces any long-range and interband interactions for highly excited systems, we show that there is a specific turnover point with a minimal band gap. Here, we further demonstrate that the optical gap renormalization follows the same trend though its magnitude is altered by the Moss-Burstein effect.

Approximation methods for many-body systems↗
NASA NTRS2013

Energy Band Gap Study of Semiconducting Single Walled Carbon Nanotube Bundle

The electronic properties of multiple semiconducting single walled carbon nanotubes (s-SWCNTs) considering various distribution inside a bundle are studied. The model derived from the proposed analytical potential function of electron density for na individual s-SWCNT is general and can be easily applied to multiple nanotubes. This work demonstrates that regardless the number of carbon nanotubes, the strong coupling occurring between the closet neighbors reduces the energy band gap of the bundle by 10%. As expected, the coupling is strongly dependent on the distance separating the s-SWCNTs. In addition, based on the developed model, it is proposed to enhance this coupling effect by applying an electric field across the bundle to significantly reduce the energy band gap of the bundle by 20%.

semiconducting single-wall carbon nanotube↗
DOE OSTI2023

A planar defect spin sensor in a two-dimensional material susceptible to strain and electric fields

Abstract The boron-vacancy spin defect ( $${\,{{\mbox{V}}}}_{{{\mbox{B}}}\,}^{-}$$ V B − ) in hexagonal boron nitride (hBN) has a great potential as a quantum sensor in a two-dimensional material that can directly probe various external perturbations in atomic-scale proximity to the quantum sensing layer. Here, we apply first-principles calculations to determine the coupling of the $${\,{{\mbox{V}}}}_{{{\mbox{B}}}\,}^{-}$$ V B − electronic spin to strain and electric fields. Our work unravels the interplay between local piezoelectric and elastic effects contributing to the final response to the electric fields. The theoretical predictions are then used to analyse optically detected magnetic resonance (ODMR) spectra recorded on hBN crystals containing different densities of $${\,{{\mbox{V}}}}_{{{\mbox{B}}}\,}^{-}$$ V B − centres. We prove that the orthorhombic zero-field splitting parameter results from local electric fields produced by surrounding charge defects. This work paves the way towards applications of $${\,{{\mbox{V}}}}_{{{\mbox{B}}}\,}^{-}$$ V B − centres for quantitative electric field imaging and quantum sensing under pressure.

36 MATERIALS SCIENCE↗
NASA NTRS1986

The time-dependent dynamical response of the thermosphere to major geomagnetic disturbances

Several recent observations of thermospheric dynamics, made in the polar regions during extremely disturbed geomagnetic periods are reviewed. In general, the magnitude and the variability of winds in the thermospheric polar regions increases with magnetic activity, as measured by any of the conventional indices. However, none of the conventional indices is a particularly good aid to predicting wind magnitudes. In very general terms, two major factors may be considered in describing the wind system. The magnitude of the Interplanetary Magnetic Field (IMF) and, in particular, its southward component, determine the size of the auroral oval, and the strength of the cross-polar cap potential. This determines the size of the auroral oval, the magnitude of the sunward winds in the auroral oval and of those blowing anti-sunward over the polar cap, and is probably the major factor in determining the rate of geomagnetic energy deposition in the thermosphere. Superimposed on this enhanced polar circulation system are the effects of discrete auroral substorms. From a global view point, the effect of substorms is to generate a series of strong disturbances which propagate from their source region, usually near magnetic midnight in the auroral oval. The energy associated with discrete substorms is, however, usually a rather small proportion of the total global geomagnetic input during disturbed periods. These observations of thermospheric wind disturbances will be evaluated by comparison with global simulations of the thermospheric response to theoretical and semi-empirical models of the polar electric field, and of the effects of magnetospheric particle precipitation.

Rees, D.↗
DOE OSTI2021

Electrical Tuning of Tin-Vacancy Centers in Diamond

Group-IV color centers in diamond have attracted significant attention as solid-state spin qubits because of their excellent optical and spin properties. Among these color centers, the tin-vacancy (Sn-V - ) center is of particular interest because its large ground-state splitting enables long spin coherence times at temperatures above 1 K. However, color centers typically suffer from inhomogeneous broadening, which can be exacerbated by nanofabrication-induced strain, hindering the implementation of quantum nodes emitting indistinguishable photons. Although strain and Raman tuning have been investigated as promising tuning techniques to overcome the spectral mismatch between distinct group-IV color centers, other approaches need to be explored to find methods that can offer more localized control without sacrificing emission intensity. Here, we study the electrical tuning of Sn-V - centers in diamond via the direct-current Stark effect. We demonstrate a tuning range beyond 1.7 GHz. We observe both quadratic and linear dependence on the applied electric field. Further, we also confirm that the tuning effect we observe is a result of the applied electric field and is distinct from thermal tuning due to Joule heating. Stark tuning is a promising avenue toward overcoming detunings between emitters and enabling the realization of multiple identical quantum nodes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1982

Piezoelectric and pyroelectric coefficients for ferroelectric crystals with polarizable molecules

Expressions for piezoelectric and pyroelectric coefficients for a crystal of polarizable point dipoles are derived. The effect of crystal structure on the local electric field acting to polarize the molecules is included via the Lorentz-factor formalism. The derived expressions for the piezo- and pyroelectric coefficients are found to contain terms dependent on derivatives of the Lorentz factors. These terms reflect the changing of molecular dipole moments in response to the changing local electric field in the strained crystal. Inclusion of this effect results in predictions of coefficients substantially different from those obtained using the Lorentz field approximation.

Purvis, C. K.↗