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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

Modeling of micro thrusters for gravity probe B

The concept of testing Einstein's general theory of relativity by means of orbiting gyroscopes was first proposed in 1959, which lead to the development of the Gravity Probe B experiment. Einstein's theory concerns the predictions of the relativistic precession of a gyroscope in orbit around earth. According to his theory, there will be two precessions due to the warping of space-time by the earth's gravitational field: the geodetic precession in the plane of the orbit, and the frame-dragging effect, in the direction of earth rotation. For a polar orbit, these components are orthogonal. In order to simplify the measurement of the precessions, Gravity Probe B (GP-B) will be placed in a circular polar orbit at 650 km, for which the predicted precessions will be 6.6 arcsec/year (geodetic) and 42 milli-arcsec/year (frame-dragging). As the gyroscope precesses, the orientation of its spin-axis will be measured with respect to the line-of-sight to Rigel, a star whose proper motion is known to be within the required accuracy. The line-of-sight to Rigel will be established using a telescope, and the orientation of the gyroscope spin axis will be measured using very sensitive SQUID (Superconducting Quantum Interference Device) magnetometers. The four gyroscopes will be coated with niobium. Below 2K, the niobium becomes superconducting and a dipole field will be generated which is precisely aligned with the gyroscope spin-axis. The change in orientation of these fields, as well as the spin-axis, is sensed by the SQUID magnetometers. In order to attain the superconducting temperatures for the gyroscopes and the SQUID's, the experiment package will be housed in a dewar filled with liquid helium. The helium flow through a GP-B micro thruster and into a vacuum is investigated using the Direct Simulation Monte Carlo method.

Jones, Kenneth M.↗
DOE OSTI2020

Polarization of Valence Orbitals by the Intramolecular Electric Field from a Diffuse Dipole-Bound Electron

The diffuse electron in a dipole-bound state is spatially well-separated from the valence electrons and is known to have negligible effects on the dipole-bound state’s molecular structure. Here, we show a dipole-bound state is observed in deprotonated 4-(2-phenylethynyl)-phenoxide anions, 348 cm -1 below the anion’s detachment threshold. The photodetachment of the dipole-bound electron is observed to accompany a simultaneous shake-up process in valence orbitals in this aromatic molecular anion. This shake-up process is due to configuration mixing as a result of valence orbital polarization by the intramolecular electric field of the dipole-bound electron. Furthermore, this observation suggests that dipole-bound anions can serve as a new platform to probe how oriented electric fields influence the valence electronic structure of polyatomic molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Deep-Learning Interatomic Potential Connects Molecular Structural Ordering to the Macroscale Properties of Polyacrylonitrile

Polyacrylonitrile (PAN) is an important commercial polymer, bearing atactic stereochemistry resulting from nonselective radical polymerization. As such, an accurate, fundamental understanding of governing interactions among PAN molecular units is indispensable for advancing the design principles of final products at reduced processability costs. While ab initio molecular dynamics (AIMD) simulations can provide the necessary accuracy for treating key interactions in polar polymers, such as dipole–dipole interactions and hydrogen bonding, and analyzing their influence on the molecular orientation, their implementation is limited to small molecules only. Herein, we show that the neural network interatomic potentials (NNIPs) that are trained on the small-scale AIMD data (acquired for oligomers) can be efficiently employed to examine the structures and properties at large scales (polymers). NNIP provides critical insight into intra- and interchain hydrogen-bonding and dipolar correlations and accurately predicts the amorphous bulk PAN structure validated by modeling the experimental X-ray structure factor. Furthermore, the NNIP-predicted PAN properties, such as density and elastic modulus, are in good agreement with their experimental values. Overall, the trend in the elastic modulus is found to correlate strongly with the PAN structural orientations encoded in the Hermans orientation factor. In conclusion, this study enables the ability to predict the structure–property relations for PAN and analogues with sustainable ab initio accuracy across scales.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Demonstration of multi-active region p-down green LEDs with high quantum efficiency

Abstract Longer wavelength emitters such as green LEDs display a pronounced efficiency drop at higher current densities, resulting in relatively low wall-plug efficiency (WPE). Multi-active region approach can improve the WPE significantly and tackle the “green gap” challenge. This work reports multi-active region p-down LEDs with high external efficiency operating entirely in the green wavelength. Devices were developed using p-down topology, where the PN junction is oriented such that electric fields from depletion and built-in polarization dipoles are aligned. Ga-polar multi-active region green LEDs with excellent voltage and external quantum efficiency scaling, and significantly higher WPE is demonstrated in this work.

Physics↗
NASA NTRS1992

Large-gap magnetic positioning system having advantageous configuration

A magnetic configuration was devised in which the positioned object is maintained in a stable orientation and position on one side of an opaque plane surface entirely by means of magnetic components on the other side of the plane. The system is effective with or without gravity, and can operate in any orientation. In this system, the positioned object need only contain a simple dipole magnet. The positioning components consist of a group of permanent magnets creating a magnetic field configuration which stabilizes the levitated dipole in all but one degree of freedom, and a magnetic position sensing and force feedback system to actively stabilize the object in the one unstable direction. The system utilizes very low power at equilibrium and can maintain gaps of 50 mm.

Chong, Paul↗
NASA NTRS1987

Molecular dynamics of the water liquid-vapor interface

The results of molecular dynamics calculations on the equilibrium interface between liquid water and its vapor at 325 K are presented. For the TIP4P model of water intermolecular pair potentials, the average surface dipole density points from the vapor to the liquid. The most common orientations of water molecules have the C2 nu molecular axis roughly parallel to the interface. The distributions are quite broad and therefore compatible with the intermolecular correlations characteristic of bulk liquid water. All near-neighbor pairs in the outermost interfacial layers are hydrogen bonded according to the common definition adopted here. The orientational preferences of water molecules near a free surface differ from those near rigidly planar walls which can be interpreted in terms of patterns found in hexagonal ice 1. The mean electric field in the interfacial region is parallel to the mean polarization which indicates that attention cannot be limited to dipolar charge distributions in macroscopic descriptions of the electrical properties of this interface. The value of the surface tension obtained is 132 +/- 46 dyn/cm, significantly different from the value for experimental water of 68 dyn/cm at 325 K.

NASA Center ARC↗
NASA NTRS1972

Electric dipole radiation at VLF in a uniform warm magneto-plasma.

Use of a linear full electromagnetic wave theory to calculate the input impedance of an electric antenna embedded in a uniform, lossless, unbounded warm magnetoplasma, which is assumed to consist of warm electrons and cold ions. In calculating the dipole radiation resistance for the thermal modes and the thermally modified whistler mode the analysis includes the finite temperature only for the electrons. In deriving the formal solution of the warm plasma dipole input impedance a full-wave analysis is used and two antenna orientations are considered, parallel and perpendicular to the static magnetic field. A general dispersion equation governing the modes of propagation is derived and a detailed analysis is made of the propagation characteristics of these modes.

Wang, T. N. C.↗
NASA NTRS1982

The thickness of the magnetopause current layer - ISEE 1 and 2 observations

ISEE 1 and 2 magnetometer data over the dayside magnetosphere are analyzed to present a global survey of the magnetopause thickness. It is shown that earlier magnetopause velocities have been somewhat underestimated, with results indicating constant rapid and irregular motion and velocities ranging from 10-80 km/s in 80% of the cases. The magnetopause thickness is found to be between 400-1000 km, with larger thicknesses also observed, and the thickness does not seem to depend on the orientation of the magnetosheath magnetic field, but does appear to be ordered by dipole magnetic latitude so that the magnetopause current sheet is thinnest near the magnetic equator, which suggests that reconnection is initiated in the equatorial regions rather than in the polar cusps.

Berchem, J.↗
NASA NTRS1991

Thomson scattering in a magnetic field. II - Arbitrary field orientation

This paper presents solutions to the equation of transfer for Thomson scattering in a constant magnetic field of arbitrary orientation. Results from several atmospheres are combined to give the flux from a dipole star. The results are compared to the polarization data of the magnetic white dwarf Grw + 70 deg 8247. The fit is good, though it implies a very large polarization in the ultraviolet. Thomson scattering is not thought to be an important opacity source in white dwarfs, so the good fit is either fortuitous or is perhaps explained by assuming the magnetic field affects the polarization processes in all opacities similarly.

Whitney, Barbara A.↗
NASA NTRS2021

Evaluation of Higher-order Quadrature Schemes in Improving Computational Efficiency for Orientation-averaged Single-Scattering Properties of Nonspherical Ice Particles

We evaluate several high-order quadrature schemes for accuracy and efficacy in obtaining orientation-averaged single-scattering properties (SSPs). We use the highly efficient MIDAS to perform electromagnetic scattering calculations to evaluate the gain in efficiency from these schemes. MIDAS is shown to be superior to DDSCAT, a popular discrete dipole approximation (DDA) method. This study is motivated by the fact that quality physical precipitation retrievals rely on using accurate orientation-averaged SSPs derived from realistic hydrometeors as input to radiative transfer Models (RTMs). The DDA has been a popular choice for single-scattering calculations, due to its versatility with respect to target geometry. However, being iterative-solver-based (ISB), the most used DDA codes, e.g. DDSCAT and ADDA, must solve the scattering problem for each orientation of the target separately. As the size parameter and geometric anisotropy of the hydrometeor increase, the number of orientations needed to obtain accurate orientation-averages can increase drastically and so does the computation cost incurred by the ISB-DDA methods. MIDAS is a Direct-Solver-Based (DSB) code, its decomposition of the original large matrix with a high rank into multiple more manageable smaller matrices of lower ranks makes it much more computationally efficient while maintaining excellent accuracy. In addition, direct solvers consider all requested orientations at once, giving MIDAS further advantage over popular ISB-DDA methods. MIDAS, when combined with high-order quadrature for orientation averaging, can be greater than three orders of magnitude more efficient in obtaining RTM-ready SSPs of complex-shaped hydrometeors than existing ISB-DDA methods, with the native quadrature schemes they offer.

Ines Fenni↗
DOE OSTI2021

Multimode two-dimensional vibronic spectroscopy. II. Simulating and extracting vibronic coupling parameters from polarization-selective spectra

We report experimental demonstrations of polarization-selection two-dimensional Vibrational-Electronic (2D VE) and 2D Electronic-Vibrational (2D EV) spectroscopies aim to map the magnitudes and spatial orientations of coupled electronic and vibrational coordinates in complex systems. The realization of that goal depends on our ability to connect spectroscopic observables with molecular structural parameters. In this paper, we use a model Hamiltonian consisting of two anharmonically coupled vibrational modes in electronic ground and excited states with linear and bilinear vibronic coupling terms to simulate polarization-selective 2D EV and 2D VE spectra. We discuss the relationships between the linear vibronic coupling and two-dimensional Huang–Rhys parameters and between the bilinear vibronic coupling term and Duschinsky mixing. We develop a description of the vibronic transition dipoles and explore how the Hamiltonian parameters and non-Condon effects impact their amplitudes and orientations. Using simulated polarization-selective 2D EV and 2D VE spectra, we show how 2D peak positions, amplitudes, and anisotropy can be used to measure parameters of the vibronic Hamiltonian and non-Condon effects. This paper, along with the first in the series, provides the reader with a detailed description of reading, simulating, and analyzing multimode, polarization-selective 2D EV and 2D VE spectra with an emphasis on extracting vibronic coupling parameters from complex spectra.

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

Demonstration of p-side down green light emitting diodes with high external quantum efficiencies

GaN/(In,Ga)N heterostructure based visible Light Emitting Diodes (LED) have enabled a wide range of solid-state lighting applications through excellent efficiency and power output in the shorter wavelengths (≤ 475nm) of violet/blue emission. However, the efficiency of emitters in the longer wavelength range (≥ 500nm) drops drastically due to the need to include higher Indium-content in the InGaN quantum wells. Large average polarization fields for high Indium-content quantum wells for conventional P-up structure, opposes the depletion field leading to large electrostatic barriers for both electrons and holes injection. LEDs fabricated along the N-polar direction with a p-up orientation or Ga-polar direction with p-down orientation lower such electrostatic barriers to carrier injection due to alignment of the polarization dipole field and depletion region field. This can therefore theoretically improve the electrical injection efficiency and reduce the forward voltage of operation. Such a Ga-polar p-down LED requires a bottom buried tunnel junction to avoid current spreading issues for a buried p-GaN layer. In this report, we demonstrate for the first time Ga-polar p-down green emitting LEDs using bottom tunnel junctions and having external quantum efficiencies comparable to those of equivalent p-up LEDs grown by Metal Organic Chemical Vapor Deposition (MOCVD).

36 MATERIALS SCIENCE↗
NASA NTRS2005

Equivalent Circuit Modeling for Carbon Nanotube Schottky Barrier Modulation in Polarized Gases

We study the carbon nanotube Schottky barrier at the metallic electrode interface in polarized gases using an equivalent circuit model. The gas-nanotube interaction is often weak and very little charge transfer is expected [l]. This is the case with'oxygen, but the gas-electrode interaction is appreciable and makes the oxygen molecules negatively charged. In the closed circuit condition, screening positive charges appear in the nanotube as well as in the electrode, and the Schottky barrier is modulated due to the resultant electrostatic effects [2]. In the case of ammonia, both the gas-nanotube and gas-electrode interactions are weak, but the Schottky barrier can still be modulated since the molecules are polarized and align in the preferred orientation within the gap between the electrode and nanotube in the open circuit condition (dipole layer formation). In the closed circuit condition, an electric field appears in the gap and strengthens or weakens the preferred dipole alignment reflecting the nanotube Fermi level. The modulation is visible when the nanotube depletion mode is involved, and the required dipole density is as low as 2 x 10(exp 13) dipoles/sq cm, which is quite feasible experimentally,

Yamada, Toshishige↗
NASA NTRS1992

Venus internal magnetic field and its interaction with the interplanetary magnetic field

In a previous study, Knudsen et al. suggested that Venus has a weak internal magnetic dipole field of the order of 7 x 10 + 20 G cm(exp -3) that is manifested in the form of magnetic flux tubes threading the ionospheric holes in the Venus nightside ionosphere. They pointed out that any internal field of Venus, dipole or multipole, would be weakened in the subsolar region and concentrated in the antisolar region of the planet by the supersonic transterminator convection of the dayside ionosphere into the nightside hemisphere. The inferred magnitude of the dipole field does not violate the upper limit for an internal magnetic field established by the Pioneer Venus magnetometer experiment. The most compelling objection to the model suggested by Knudsen et al. has been the fact that it does not explain the observed interplanetary magnetic field (IMF) control of the polarity of the ionospheric hole flux tubes. In this presentation I suggest that a magnetic reconnection process analogous to that occurring at earth is occurring at Venus between the IMF and a weak internal dipole field. At Venus in the subsolar region, the reconnection occurs within the ionosphere. At Earth it occurs at the magnetopause. Reconnection will occur only when the IMF has an appropriate orientation relative to that of the weak internal field. Thus, reconnection provides a process for the IMF to control the flux tube polarity. The reconnection in the subsolar region takes place in the ionosphere as the barrier magnetic field is transported downward into the lower ionosphere by downward convection of ionospheric plasma and approaches the oppositely directed internal magnetic field that is diffusing upward. The reconnected flux tubes are then transported anti-Sunward by the anti-Sunward convecting ionospheric plasma as well as by the anti-Sunward-flowing solar wind. Reconnection will also occur in the Venus magnetic tail region, somewhat analogously to the reconnection that occurs in the magnetotail of the Earth. The possibility that reconnection is occurring between the IMF and an internal dipole field may be tested by measuring the orientation of the IMF projected into a plane perpendicular to the solar wind velocity during time intervals for which ionospheric holes are observed. The orientations of the IMV components should fall within a 180 deg angle.

Knudsen, W. C.↗
DOE OSTI2020

Dipole-Phonon Quantum Logic with Trapped Polar Molecular Ions

The interaction between the electric dipole moment of a trapped molecular ion and the phonon modes of the confined Coulomb crystal couples the orientation of the molecule to its motion. We consider the practical feasibility of harnessing this interaction to initialize, process, and read out quantum information encoded in molecular ion qubits without ever optically illuminating the molecules. We present two schemes wherein a molecular ion can be entangled with a cotrapped atomic ion qubit, providing, among other things, a means for molecular state preparation and measurement. Here, we also show that virtual phonon exchange can significantly boost the range of the intermolecular dipole-dipole interaction, allowing strong coupling between widely separated molecular ion qubits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Synthesis, Magnetic Properties, and Electronic Structure of Magnetic Topological Insulator MnBi 2 Se 4

The intrinsic magnetic topological insulators MnBi 2 Te 4 and MnBi 2 Se 4 support novel topological states related to symmetry breaking by magnetic order. Unlike MnBi 2 Te 4 , the study of MnBi 2 Se 4 has been inhibited by the lack of bulk crystals, as the van der Waals (vdW) crystal is not the thermodynamic equilibrium phase. In this study, we report the layer-by-layer synthesis of vdW MnBi 2 Se 4 crystals using nonequilibrium molecular beam epitaxy. Atomic-resolution scanning transmission electron microscopy and scanning tunneling microscopy identify a well-ordered vdW crystal with septuple-layer base units. The magnetic properties agree with the predicted layered antiferromagnetic ordering but disagree with its predicted out-of-plane orientation. Instead, our samples exhibit an easy-plane anisotropy, which is explained by including dipole–dipole interactions. Angle-resolved photoemission spectroscopy reveals the gapless Dirac-like surface state, which demonstrates that MnBi 2 Se 4 is a topological insulator above the magnetic-ordering temperature. These studies show that MnBi 2 Se 4 is a promising candidate for exploring rich topological phases of layered antiferromagnetic topological insulators.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Nanoscale Imaging of Magnetotransport around a Circular 𝑝−𝑛 Junction in Graphene

Magnetoresistance studies of 2D systems are often shaped by the motion of electrons that occupy spatially confined wave functions, such as topological edge modes and disorder-induced bound states. Directly probing how such states form and behave in situ , under applied currents, provides a clear way of connecting microscopic physics to the macroscopic transport response. Here, in this Letter, scanning tunneling potentiometry is used to probe the local, current-induced electrochemical potential of carriers in graphene near circular 𝑝−𝑛 junctions in an out-of-plane magnetic field ranging from 0 to 1.4 T. These measurements provide detailed information about the motion of carriers at the nanometer scale, revealing how it evolves with increasing field. The electrochemical potential displays distinct patterns, such as dipoles, spirals, and concentric disks in weak, moderate, and high fields, respectively. The size and orientation of these patterns can be used to understand how local carrier dynamics change in different transport regimes as well as to directly extract physical parameters such as the electron mean free path and cyclotron diameter.

36 MATERIALS SCIENCE↗
NASA NTRS1974

CO and CS in the Orion Nebula

The reported observations were made with an 11-m radio telescope. The CO map considered has a peak near the position of the infrared continuum source. There is little correlation between the CO contours and any optical structure. The CO contours show a pronounced north-south orientation. CS was observed as a representative example of a stable molecule with a higher dipole moment than CO. Questions regarding the structure of Orion A are discussed, giving attention to various models.

Liszt, H. S.↗