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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

High-throughput computation of electric polarization in solids via Berry flux diagonalization

Electric polarization in the absence of an externally applied electric field is a key property of polar materials, but the standard interpolation-based ab initio approach to compute polarization differences within the modern theory of polarization presents challenges for automated high-throughput calculations. Berry flux diagonalization [J. Bonini et al., Phys. Rev. B 102, 045141 (2020)] has been proposed as an efficient and reliable alternative, though it has yet to be widely deployed. Here, we assess Berry flux diagonalization using ab initio calculations of a large set of materials, introducing and validating heuristics that ensure branch alignment with a minimal number of intermediate interpolated structures. Our automated implementation of Berry flux diagonalization succeeds in cases where prior interpolation-based workflows fail due to band-gap closures or branch ambiguities. Benchmarking with ab initio calculations of 176 candidate ferroelectrics, we demonstrate the efficacy of the approach on a broad range of insulating materials and obtain accurate effective polarization values with fewer interpolated structures than prior automated interpolation-based workflows. Our real-space heuristics that can predict gauge stability a priori from ionic displacements enable a general automated framework for reliable polarization calculations and efficient high-throughput screening of chemically and structurally diverse polar insulators. These results establish Berry flux diagonalization as a robust and efficient method to compute the effective polarization of solids and to accelerate the data-driven discovery of functional polar materials.

Poteshman, Abigail N. [University of Chicago, IL (↗
NASA NTRS1992

The polarization electric field and its effects in an anisotropic rotating magnetospheric plasma

Spatial variations of density and temperature along a magnetic field line are evaluated for a plasma undergoing adiabatic motion in a rotating magnetosphere. The effects of centrifugal and gravitational forces are accounted for, as is anisotropy in the pitch angle distribution functions of individual species. A polarization electric field is invoked to eliminate the net electric charge density resulting from the aforementioned mass dependent forces and different anisotropies. The position of maximum density in a two-component, electron-ion plasma is determined both in the absence and in the presence of the polarization effect and compared. A scale height, generalized to include anisotropies, is derived for the density fall-off. The polarization electric field is also included in the parallel guiding center equation; equilibrium points are determined and compared in both individual and average senses with the position of density maximum. Finally a transverse (to magnetic field lines) electric component is deduced as a consequence of dissimilar charge neutralization on adjacent field lines. The E x B velocity resultant from such a 'fringing' electric field is calculated and compared with the magnitude of other drifts.

Huang, T. S.↗
DOE OSTI2025

Evidence for In-Plane Electrical Polarization in 3R-β’-In 2 Se 3 Thin Films Grown by Molecular Beam Epitaxy

β-In 2 Se 3 has been identified as a potential ferroelectric. This work describes the growth of β-In 2 Se 3 via molecular beam epitaxy along with a description of its properties, including the search for switchable polarization in 3R-β’-In2Se3. The thin-film morphology, crystal structure, and phase maps of β-In 2 Se 3 on Si(111) and Al 2 O 3 (0001) were evaluated by atomic force microscopy, X-ray diffraction, and Raman spectroscopy as a function of the atomic Se/In flux ratio and growth temperature. Smooth β-In 2 Se 3 thin films were successfully realized on Si(111) at a substrate temperature of 150 °C using a Se/In flux ratio of 5.7, as well as on Al 2 O 3 (0001) at 450 °C using a Se/In flux ratio of 5.5. Scanning transmission electron microscopy (STEM) confirms the 3R polytype of β-In 2 Se 3 in films on both substrates, with a minor disorder associated with the 2H polytype at the interface. Indications of in-plane Se atom displacements characteristic of the 3R-β’-In 2 Se 3 polytype were found by STEM and second harmonic generation analysis in films on Al 2 O 3 (0001), but not in films on Si(111). Furthermore, attempts at electrical polarization switching did not produce compelling evidence for ferroelectricity. Instead, electrical transport measurements demonstrated locally varying anisotropic responses with the applied electric fields along different in-plane directions, with some hysteresis associated with the trapping of charges.

36 MATERIALS SCIENCE↗
NASA NTRS1993

The generation of magnetic fields by the polarization electric field in the ionosphere of Venus

Measurements by the magnetometer on the Pioneer Venus orbiter have established that during conditions of low solar wind dynamic pressure, large-scale magnetic fields are not present in the ionosphere of Venus but that during conditions of high solar wind dynamic pressure the ionosphere of Venus is magnetized. The source of the magnetic field is thought to be currents induced in the ionosphere by the solar wind. We will show that ionospheric polarization electric field can act as a source, or 'battery', producing a small magnetic field, even without any initial magnetic field. We have calculated this polarization source as a function of altitude and solar zenith angle. The magnetic field was then determined using a 2D kinematic dynamo model of the ionosphere of Venus. The magnetic field attains a maximum strength of about 5 nT at a solar zenith angle of about 120 deg. This magnetic field might act as a 'seed' field for magnetic flux ropes and terminator waves.

Shinagawa, H.↗
NASA NTRS2016

Two-Scale Ion Meandering Caused by the Polarization Electric Field During Asymmetric Reconnection

Ion velocity distribution functions (VDFs) from a particle-in-cell simulation of asymmetric reconnection are investigated to reveal a two-scale structure of the ion diffusion region (IDR). Ions bouncing in the inner IDR are trapped mainly by the electric field normal to the current sheet (N direction), while those reaching the outer IDR are turned back mainly by the magnetic force. The resulting inner layer VDFs have counter-streaming populations along N with decreasing counter-streaming speeds away from the midplane while maintaining the out-of-plane speed, and the outer layer VDFs exhibit crescent shapes toward the out-of-plane direction. Observations of the above VDF features and the normal electric fields provide evidence for the two-scale meandering motion.

Wang, Shan↗
NASA NTRS1993

Light ion flow in the nightside ionosphere of Venus

The flow characteristics of the light ions H(+) and He(+) have been studied in the midnight region of the ionosphere of Venus. Measurements of ion composition, electron and ion temperatures and magnetic fields by instruments onboard the Pioneer Venus Orbiter have been used in rite electron and ion equations of conservation of mass and momentum to derive the vertical flow velocities of H(+) and He(+). When average height profiles of the measured quantities were used, H(+) was found to flow upward, accelerating to speeds of almost 1 km/s at the ion-exobase. In a similar fashion, He(+) was found to flow downward into the neutral atmosphere where it is readily quenched by charge transfer reactions. The polarization electric field played an important role in forcing H(+) upward, but did not contribute enough to the He(+) force balance to produce upward flow. At the ion-exobase, the outward electric polarization force on H(+) was shown to be five times the gravitational force. Using an analogy with the terrestrial ion-exosphere, H(+) was inferred to flow upward into the ionotail of Venus and accelerate to escape speeds. A planet averaged escape flux of 1.4 x 10 exp 7/sq cm/s was calculated, which is comparable to hydrogen loss rates estimated by other investigators.

Hartle, R. E.↗
NASA NTRS1980

IMF changes and polar-cap electric fields and currents

The polar cap, defined as the region of the auroral oval, is magnetically connected to the solar wind; currents may flow easily between the two regions, and polar cap electric fields and currents respond sensitively to variations in the interplanetary magnetic field (IMF). In the present paper, the response of polar cap electric field and currents to variations in IMF x, y, and z components is discussed.

Burch, J. L.↗
DOE OSTI2025

Oxygen vacancy-induced ferroelectric effect in (111) strontium titanate single crystals controls photoelectrochemical water oxidation

Ferroelectric materials, such as tetragonal BaTiO 3 , have a permanent electric polarization that can be controlled with an external electric field, however, a ferroelectric polarization in cubic SrTiO 3 is forbidden by the higher symmetry of the lattice. Here we demonstrate that hydrogen annealed SrTiO 3−x single crystals can be polarized electrically, and that the polarization controls the activity for photoelectrochemical water oxidation, a pathway to solar hydrogen fuel. Specifically, it is observed that the anodic water oxidation photocurrent increases from 0.99 to 2.22 mA cm −2 at 1.23 V RHE (60 mW cm −2 , UV illumination) or decreases to 0.50 mA cm −2 after electric polarization of hydrogen-annealed (111) SrTiO 3−x single crystals in forward or reverse direction. The polarization also modifies the surface photovoltage signal of the material and its flat band potential, based on Mott–Schottky measurements. These observations are attributed to the formation of an electric dipole at the (111) SrTiO 3−x surface, which alters the potential drop across the depletion layer at the solid–liquid junction, and with it the electron transfer barrier. Density functional theory calculations confirm that an electric dipole can result from the movement of oxygen vacancies between the surface or sub-surface layers of SrTiO 3−x . The filling of these surface oxygen vacancies is the probable cause for the observed disappearance of the electric polarization after 24 h storage in air and 48 h in argon. Overall, this work establishes a new surface-based ferroelectric effect in SrTiO 3−x and its use for solar energy conversion during photoelectrochemical water oxidation. Because oxygen vacancy defects are common, similar electric polarization effects are to be expected in other metal oxides.

Assavachin, Samutr [University of California, Davi↗
NASA NTRS1976

A model for polar cap electric fields

A model is proposed relating polar cap ionospheric electric fields to the parameters of the solar wind near the orbit of the earth. The model ignores the notion of field line merging. An essential feature is the role played by velocity shear instabilities in regions of the outer magnetosphere, in which mapping of the magnetosheath electric field would produce sunward convection. The anomalous resistivity which arises from velocity shear turbulence, suffices to essentially disconnect the magnetosphere from the magnetosheath, at any place where that resistivity is large enough. The magnetosheath-magnetosphere system, as a consequence, acts as a kind of diode or rectifier for the magnetosheath electric fields. Predictions of the model are compared with several observations related to polar cap convection.

Dangelo, N.↗
NASA NTRS2012

Magnetic and Electric Field Polarizations of Oblique Magnetospheric Chorus Waves

A theory was developed to explain the properties of the chorus magnetic and electric field components in the case of an arbitrary propagation angle. The new theory shows that a whistler wave has circularly polarized magnetic fields for oblique propagation. This theoretical result is verified by GEOTAIL observations. The wave electric field polarization plane is not orthogonal to the wave vector, and in general is highly elliptically polarized. A special case of the whistler wave called the Gendrin mode is also discussed. This will help to construct a detailed and realistic picture of wave interaction with magnetosphere electrons. It is the purpose of this innovation to study the magnetic and electric polarization properties of chorus at all frequencies, and at all angles of propagation. Even though general expressions for electromagnetic wave polarization in anisotropic plasma are derived in many textbooks, to the knowledge of the innovators, a detailed analysis for oblique whistler wave mode is lacking. Knowledge of the polarization properties is critical for theoretical calculations of resonant wave-particle interactions.

Verkhoglyadova, Olga↗
NASA NTRS1972

Polar cap electric field distributions related to the interplanetary magnetic field direction

The correlations between the azimuthal direction of the interplanetary magnetic field and the most simple polar cap signatures are discussed. Only the spatial distribution of the dawn-dusk polar cap field is considered. For each OGO 6 traverse across the northern or southern polar cap, the simultaneous values of the interplanetary magnetic field in solar-equatorial coordinates were recorded by the Explorer 33 magnetometer. Histograms of these values are presented and are discussed. The high degree of correlation with the longitudinal angle indicates that the relative geometry of the interplanetary magnetic field and magnetospheric magnetic fields must be fundamental to explaining the distribution of polar cap electric fields. The sign of the solar-equatorial component perpendicular to the sun-earth line appears to be a more critical parameter than the sign of the component toward the sun. The Svalgaard-Mansurov correlation and the correspondence between fast convection and parallel magnetospheric and interplanetary magnetic fields are described.

Heppner, J. P.↗
NASA NTRS1978

Report of the Seasat Failure Review Board

The Seasat spacecraft failed on October 9, 1978, after satisfactory operation in orbit for 105 days, as a result of a loss of electrical power in the Agena bus that was used as a part of the spacecraft. This loss of power was caused by a massive and progressive short in one of the slip ring assemblies that was used to connect the rotating solar arrays into the power subsystem. The most likely cause of this short was the initiation of an arc between adjacent slip ring brush assemblies. The triggering mechanism of this arc could have been either a wire-to-brush assembly contact, a brush-to-brush contact, or a momentary short caused by a contaminant that bridged internal components of opposite electrical polarity. The slip ring assembly, as used in the Seasat spacecraft, was connected into the power subsystem in such a way that most of the adjacent brush assemblies were of opposite electrical polarity. This wiring arrangement, together with the congested nature of the design itself, made the Seasat slip ring assembly a unique, first-of-a-kind component that was particularly prone to shorting. The possibility of slip ring failures resulting from placing opposite electrical polarities on adjacent brush assemblies was known at least as early-as the summer of 1977 to other projects within the contractor's organization. Furthermore, failures of slip ring assemblies due to shorting between brushes had been experienced by the prime contractor on slip ring assemblies used by other programs. That the Seasat organization was not fully aware of these potential failure modes was due to a breakdown in communication within the contractor's organization.

Lundin, Bruce T.↗
NASA NTRS1993

FD-TD modeling of 2-D dielectric waveguides for propagation and scattering of femtosecond optical solitons

Experimentalists have produced all-optical switches capable of 100-fs responses. To adequately model such switches, nonlinear effects in optical materials (both instantaneous and dispersive) must be included. In principle, the behavior of electromagnetic fields in nonlinear dielectrics can be determined by solving Maxwell's equations subject to the assumption that the electric polarization has a nonlinear relation to the electric field. However, until our previous work, the resulting nonlinear Maxwell's equations have not been solved directly. Rather, approximations have been made that result in a class of generalized nonlinear Schrodinger equations (GNLSE) that solve only for the envelope of the optical pulses. In this paper, we present first-time calculations from the vector nonlinear Maxwell's equations of femtosecond soliton propagation and scattering, including carrier waves, in two-dimensional systems of dielectric waveguides exhibiting the Kerr and Raman quantum effects. We use the finite-difference time-domain (FD-TD) method in an extension of our 1-D work. There, in a fundamental innovation, we treated the linear and nonlinear convolutions for the electric polarization as new dependent variables. By differentiating these convolutions in the time domain, we derived an equivalent system of coupled, nonlinear second-order ODE's. These equations together with Maxwell's equations form the system that is solved to determine the electromagnetic fields in inhomogeneous nonlinear dispersive media. Backstorage in time is limited to only that needed by the time-integration algorithm for the ODE's, rather than that needed to store the time-history of the kernel functions of the convolutions (1000-10,000 time steps). Thus, a 2-D nonlinear optics model from Maxwell's equations is now feasible.

Joseph, Rose↗
DOE OSTI2024

Magnetoelectric Coupling in a Mn 4 Na–Organic Complex under Pulsed Magnetic Fields up to 73 T

Research on the magnetoelectric (ME) effect (or spin-electric coupling) in molecule-based magnetic materials is a relatively nascent but promising topic. Molecule-based magnetic materials have diverse magnetic functionalities that can be coupled to electrical properties. Here, in this study, we investigate a realization of ME coupling that is fundamental but not heavily studied─the coupling of magnetic spin level crossings to changes in electric polarization. A mixed-valence Mn 4 Na complex with a total ground-state spin S = 5/2 under zero magnetic field and S = 17/2 under high magnetic field undergoes a cascade of ground-state level crossings of the S z states with increasing magnetic field. Magnetization and electrical polarization measurements under pulsed magnetic fields up to 73 T show that each spin level crossing is accompanied by a significant change in electric polarization that is an even function of the applied magnetic field. A molecular Hamiltonian describing antiferromagnetic exchange in a distorted tetrahedron of three Mn III and one Mn II ions matches the data well. We conclude that the ME coupling is caused by magnetostriction within the polar molecule as it distorts to lower its magnetic exchange energy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1976

Comparison of simultaneous magnetotail and polar ionospheric electric fields and energetic particles

DC electric fields and solar electrons were simultaneously measured by the Apollo 15 subsatellite in the earth's magnetotail at lunar orbital distance and by rocket and balloon experiments in the polar ionosphere. The magnetotail and polar ionosphere transverse electric fields are found generally to agree in magnitude and direction. The electron spectra from 0.5 to 200 keV are essentially identical, indicating that the potential difference due to parallel electric fields between the magnetotail and the rocket located in the polar ionosphere did not exceed approximately 500 V during the time of the measurements.

Mccoy, J. E.↗