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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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Thermoelectric properties of IV–VI-based heterostructures and superlattices

Doping in a manner that introduces anisotropy in order to reduce thermal conductivity is a significant focus in thermoelectric research today. By solving the semiclassical Boltzmann transport equations in the constant scattering time (τ) approximation, in conjunction with ab initio electronic structure calculations, within Density Functional Theory, we compare the Seebeck coefficient (S) and figure of merit (ZT) of bulk PbTe to PbTe/SnTe/PbTe heterostructures and PbTe doping superlattices (SLs) with periodically doped planes. Bismuth and Thallium were used as the n- and p-type impurities, respectively. The effects of carrier concentration are considered via chemical potential variation in a rigid band approximation. The impurity bands near the Fermi level in the electronic structure of PbTe SLs are of Tl s- and Bi p-character, and this feature is independent of the doping concentration or the distance between impurity planes. We observe the impurity bands to have a metallic nature in the directions perpendicular to the doping planes, yet no improvement on the values of ZT is found when compared to bulk PbTe. For the PbTe/SnTe/PbTe heterostructures, the calculated S presents good agreement with recent experimental data, and an anisotropic behavior is observed for low carrier concentrations (n<10{sup 18} cm{sup −3}). A large value of ZT{sub ||} (parallel to the growth direction) of 3.0 is predicted for n=4.7×10{sup 18} cm{sup −3} and T=700 K, whereas ZT{sub p} (perpendicular to the growth direction) is found to peak at 1.5 for n=1.7×10{sup 17} cm{sup −3}. Both electrical conductivity enhancement and thermal conductivity reduction are analyzed. - Graphical abstract: Figure of merit for PbTe/SnTe/PbTe heterostructure along the [0 0 1] direction, P.D. Borges, J.E. Petersen, L. Scolfaro, H.W. Leite Alves, T.H. Myers, Improved thermoelectric properties of IV–VI-based heterostructures and superlattices. - Highlights: • Thermoelectric properties of IV–VI-based heterostructures and superlattices. • High figure of merit is predicted for the PbTe/SnTe/PbTe heterostructure. • Nanotechnology has an important role for the development of thermoelectric devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

SU-E-T-37: An Optical Investigation Into the Polarization and Scattering Effects Underlying the Artifacts of Radiochromic Film Dosimetry with Commercial Flatbed Scanners

Purpose: This study aims to investigate the optical properties of radiochromic EBT3 films on exposure to polarized incident light. Methods: An optical table setup was used to investigate the properties of exposed and unexposed EBT3 films. The films were placed with their long side horizontally and illuminated with polarized incident white light. The polarization of light with the electrical vector pointing vertically is referred to as 0°, accordingly horizontal orientation corresponds to 90°. The light transmission was measured depending on the polarization angle of the incident light and the polarization of a polarizer in front of the detector. Secondly, the scattering properties of exposed and unexposed films were measured by placing a plane convex lens behind the films and a screen in its focal plane. Thereby, the distribution of the scattering angles appears as an intensity map on the screen. The distributions of scattering angles caused by EBT3 films and by neutral density filters were compared. Results: EBT3 films show a strong dependence of the light transmission on the polarization of the incident light. With both polarizers parallel, a peak transmission was found at 90° orientation of the polarizers. With the rear polarizer at right angles with the front polarizer, peak transmissions were found at front polarizer orientations 45° and 135°. The scattering appears to be anisotropic with a preference direction parallel to the long side of the film. The portion of scattered light and the half value scattering angle both increase with the dose on the film. Conclusion: EBT3 films show dose dependent changes in polarized light transmission and anisotropic light scattering. These effects impair the light absorption measurements on exposed films performed with commercial flatbed scanners and are causing the well-known artifacts of radiochromic film dosimetry with flatbed scanners, the “orientation effect” and the “parabola effect”.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1988

Survey of low-frequency electromagnetic waves stimulated by two coexisting newborn ion species

Parallel electromagnetic instabilities generated by coexisting newborn hydrogen and oxygen ions are studied for different orientations of the interplanetary magnetic field with respect to the solar wind velocity. The wave growth dependence on the densities and temperatures of the newborn species is investigated. The results indicate that in most domains of the Brillouin plane each ion beam can excite resonant instabilities without undue influence from the other newborn ion species. Although comparable resonant instabilities are more efficiently generated by the lighter newborn ions in ion-rich environments, the growth stimulated by the heavier species can withstand large beam density decreases.

Brinca, Armando L.↗
NASA NTRS1996

The Michelson Stellar Interferometer Error Budget for Triple Triple-Satellite Configuration

This report presents the results of a study of the instrumentation tolerances for a conventional style Michelson stellar interferometer (MSI). The method used to determine the tolerances was to determine the change, due to the instrument errors, in the measured fringe visibility and phase relative to the ideal values. The ideal values are those values of fringe visibility and phase that would be measured by a perfect MSI and are attributable solely to the object being detected. Once the functional relationship for changes in visibility and phase as a function of various instrument errors is understood it is then possible to set limits on the instrument errors in order to ensure that the measured visibility and phase are different from the ideal values by no more than some specified amount. This was done as part of this study. The limits we obtained are based on a visibility error of no more than 1% and a phase error of no more than 0.063 radians (this comes from 1% of 2(pi) radians). The choice of these 1% limits is supported in the literture. The approach employed in the study involved the use of ASAP (Advanced System Analysis Program) software provided by Breault Research Organization, Inc., in conjunction with parallel analytical calculations. The interferometer accepts object radiation into two separate arms each consisting of an outer mirror, an inner mirror, a delay line (made up of two moveable mirrors and two static mirrors), and a 10:1 afocal reduction telescope. The radiation coming out of both arms is incident on a slit plane which is opaque with two openings (slits). One of the two slits is centered directly under one of the two arms of the interferometer and the other slit is centered directly under the other arm. The slit plane is followed immediately by an ideal combining lens which images the radiation in the fringe plane (also referred to subsequently as the detector plane).

Marathay, Arvind S.↗
NASA NTRS1995

Dependence of velocity fluctuations on solar wind speeds: A simple analysis with IPS method

A number of theoretical works have suggested that MHD plasma fluctuations in solar winds should play an important role particularly in the acceleration of high speed winds inside or near 0.1 AU from the sun. Since velocity fluctuations in solar winds are expected to be caused by the MHD plasma fluctuations, measurements of the velocity fluctuations give clues to reveal the acceleration process of solar winds. We made interplanetary scintillation (IPS) observations at the region out of 0.1 AU to investigate dependence of velocity fluctuations on flow speeds. For evaluating the velocity fluctuation of a flow, we selected the IPS data-set acquired at 2 separate antennas which located in the projected flow direction onto the baseline plane, and tried to compare skewness of the observed cross correlation function(CCF) with skewness of modeled CCFs in which velocity fluctuations were parametrized. The integration effect of IPS along a ray path was also taken into account in the estimation of modeled CCFs. Although this analysis method is significant to derive only parallel fluctuation components to the flow directions, preliminary analyses show following results: (1) High speed winds (Vsw greater than or equal to 500 km/s out of 0.3 AU) indicate enhancement of velocity fluctuations near 0.1 AU; and (2) Low speed winds (Vsw less than or equal to 400 Km/s out of 0.3 AU) indicate small velocity fluctuations at any distances.

Misawa, H.↗
NASA NTRS2010

Synthesis of Two New Group 13 Benzoato-Chloro Complexes: A Structural Study of Gallium and Indium Chelating Carboxylates

Two new heteroleptic chelated-benzoato gallium (III) and indium (III) complexes have been prepared and structurally characterized. The molecular structures of [GaCl2(4-Mepy)2(O2CPh)]4-Mepy (1) and [InCl(4-Mepy)2(O2CPh)2]4-Mepy (2) have been determined by single-crystal x-ray diffraction. The gallium compound (1) is a distorted octahedron with cis-chloride ligands co-planar with the chelating benzoate and the 4-methylpyridines trans to each other. This is the first example of a Ga(III) structure with a chelating benzoate. The indium compound (2) is a distorted pentagonal bipyramid with two chelating benzoates, one 4-methylpyridine in the plane and a chloride trans to the other 4-methylpyridine. The indium bis-benzoate is an unusual example of a seven-coordinate structure with classical ligands. Both complexes, which due to the chelates, could also be described as pseudo-trigonal bipyramidal, include a three-bladed motif with three roughly parallel aromatic rings that along with a solvent of crystallization and electron-withdrawing chloride ligand(s) stabilize the solid-state structures.

Duraj, Stan A.↗
DOE OSTI2021

Large-Scale Welding Process Simulation by GPU Parallelized Computing

The computational design of industrially relevant welded structures is extremely time consuming due to coupled physics and high nonlinearity. Previously, most welding distortion and residual stress simulations have been limited to small coupons and reduced order (from three-dimensional [3D] to two-dimensional [2D]), or inherent strain approximations were used for large structures. In this current study, an explicit finite element code based on a graphics processing unit was utilized to perform 3D transient thermomechanical simulation of structural components during welding. Laser brazing of aluminum alloy panels as representative of automotive manufacturing scenarios was simulated to predict out-of-plane distortion under different clamping conditions. The predicted deformation pattern and magnitude were validated by laser scanning data of physical assemblies. In addition, the code was used to investigate residual stresses developed during multipass arc welding of a nuclear industry pressurizer surge nozzle and subsequent welding repair where a 3D simulation was necessary. Taking the experimental data as reference, the 3D model predicted better residual stress distribution than a typical 2D asymmetrical model. Stress evolution in welding repair was also presented and discussed in this study. Furthermore, the efficient numerical model made it feasible to use integrated computational welding engineering to simulate welding processes for large-scale structures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Deterministic Domain Wall Motion Orthogonal To Current Flow Due To Spin Orbit Torque

Spin-polarized electrons can move a ferromagnetic domain wall through the transfer of spin angular momentum when current flows in a magnetic nanowire. Such current induced control of a domain wall is of significant interest due to its potential application for low power ultra high-density data storage. In previous reports, it has been observed that the motion of the domain wall always happens parallel to the current flow – either in the same or opposite direction depending on the specific nature of the interaction. In contrast, here we demonstrate deterministic control of a ferromagnetic domain wall orthogonal to current flow by exploiting the spin orbit torque in a perpendicularly polarized Ta/CoFeB/MgO heterostructure in presence of an in-plane magnetic field. Reversing the polarity of either the current flow or the in-plane field is found to reverse the direction of the domain wall motion. Notably, such orthogonal motion with respect to current flow is not possible from traditional spin transfer torque driven domain wall propagation even in presence of an external magnetic field. Therefore the domain wall motion happens purely due to spin orbit torque. These results represent a completely new degree of freedom in current induced control of a ferromagnetic domain wall.

Science & Technology - Other Topics↗
DOE OSTI2015

Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach

The forces acting on the atoms as well as the stress tensor are crucial ingredients for calculating the structural and dynamical properties of systems in the condensed phase. Here, these derivatives of the total energy are evaluated for the second-order Møller-Plesset perturbation energy (MP2) in the framework of the resolution of identity Gaussian and plane waves method, in a way that is fully consistent with how the total energy is computed. This consistency is non-trivial, given the different ways employed to compute Coulomb, exchange, and canonical four center integrals, and allows, for example, for energy conserving dynamics in various ensembles. Based on this formalism, a massively parallel algorithm has been developed for finite and extended system. The designed parallel algorithm displays, with respect to the system size, cubic, quartic, and quintic requirements, respectively, for the memory, communication, and computation. All these requirements are reduced with an increasing number of processes, and the measured performance shows excellent parallel scalability and efficiency up to thousands of nodes. Additionally, the computationally more demanding quintic scaling steps can be accelerated by employing graphics processing units (GPU’s) showing, for large systems, a gain of almost a factor two compared to the standard central processing unit-only case. In this way, the evaluation of the derivatives of the RI-MP2 energy can be performed within a few minutes for systems containing hundreds of atoms and thousands of basis functions. With good time to solution, the implementation thus opens the possibility to perform molecular dynamics (MD) simulations in various ensembles (microcanonical ensemble and isobaric-isothermal ensemble) at the MP2 level of theory. Geometry optimization, full cell relaxation, and energy conserving MD simulations have been performed for a variety of molecular crystals including NH{sub 3}, CO{sub 2}, formic acid, and benzene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1988

Fast O(sup +) ion flow observed around Venus at low altitudes

The Pioneer Venus Orbiter Neutral Mass Spectrometer (ONMS) has observed fast O(+) ions with an energy exceeding 40 eV in the spacecraft reference frame. The orbit of the spacecraft is nearly polar with periapsis near the equator. The ONMS is mounted at an angle to the spin axis which, in turn, is perpendicular to the ecliptic plane. From the spin modulated data the direction of the ion flow in that plane can be determined. Data from the first 11 diurnal cycles (orbits 1 to 2475) are vector averaged in order to display the general flow pattern. Plots of the averaged data are presented. On the dayside and near the terminators, where fast O(+) is observed near the ionopause, the directions are more or less parallel to the planet's surface with evidence of an asymmetry about the Sun-Venus line. On the nightside below 2000 km and near the equator there is a preferred dawn to dusk direction while at higher altitudes (lower solar zenith angles and higher latitudes) the flow direction is more antisunward. The averaged flux for this time period is 8x10 to the 5th/sq cm/s with a maximum of 5x10 to the 8th.

Kasprzak, W. T.↗
NASA NTRS1996

Aerodynamic Requirements for BVI Noise Control

As a rotor blade moves through the air, it sheds vortices. These vortices shed along the length of the blade over time form the wake. The strongest vortices of the wake are those trailing from the tip of the blade. When a rotating blade system moves under certain operating conditions, each blade will impinge on the tip vortices shed by itself or other blades. This impingement is called a blade-vortex interaction, or BVI. Although the blade and trailing tip vortices interact with many different orientations, one of the two extremes, either parallel or perpendicular interaction, is usually modelled. In a perpendicular interaction, the portion of the blade that is actually interacting with the travelling vortex at any given time is very small. A parallel interaction, however, has the largest concurrent interaction with the blade, as a result this case is given the most attention. One of the most commonly studied occurrences of blade-vortex interactions is associated with low-speed descending rotorcraft flight. BVI occur when the tip vortices shed by the blades intersect the plane of the rotor. BVI cause local pressure changes over the blades which are responsible, in part, for the acoustic signature of the rotorcraft. The local pressure changes also cause vibrations which lead to fatigue of both the blades and the mechanical components driving the blades.

Wells, Valana L.↗
NASA NTRS1999

Hardware and Methods of the Optical End-to-End Test of the Far Ultraviolet Spectroscopic Explorer (FUSE)

The Far Ultraviolet Spectroscopic Explorer (FUSE), currently being tested and scheduled for a 1999 launch, is an astrophysics satellite designed to provide high spectral resolving power (Lambda/(Delta)Lambda = 24,000-30,000) over the interval 90.5-118.7 nm. The FUSE optical path consists of four co-aligned, normal incidence, off-axis parabolic, primary mirrors which illuminate separate Rowland circle spectrograph channels equipped with holographic gratings and delay line microchannel plate detectors. We describe the hardware and methods used for the optical end-to-end test of the FUSE instrument during satellite integration and test. Cost and schedule constraints forced us to devise a simplified version of the planned optical test which occurred in parallel with satellite thermal-vacuum testing. The optical test employed a collimator assembly which consisted of four co-aligned, 15" Cassegrain telescopes which were positioned above the FUSE instrument, providing a collimated beam for each optical channel. A windowed UV light source, remotely adjustable in three axes, was mounted at the focal plane of each collimator. Problems with the UV light sources, including high F-number and window failures, were the only major difficulties encountered during the test. The test succeeded in uncovering a significant problem with the secondary structure used for the instrument closeout cavity and, furthermore, showed that the mechanical solution was successful. The hardware was also used extensively for simulations of science observations, providing both UV light for spectra and visible light for the fine error sensor camera.

Conard, Steven J.↗
NASA NTRS2009

Microwave Power Combiners for Signals of Arbitrary Amplitude

Schemes for combining power from coherent microwave sources of arbitrary (unequal or equal) amplitude have been proposed. Most prior microwave-power-combining schemes are limited to sources of equal amplitude. The basic principle of the schemes now proposed is to use quasi-optical components to manipulate the polarizations and phases of two arbitrary-amplitude input signals in such a way as to combine them into one output signal having a specified, fixed polarization. To combine power from more than two sources, one could use multiple powercombining stages based on this principle, feeding the outputs of lower-power stages as inputs to higher-power stages. Quasi-optical components suitable for implementing these schemes include grids of parallel wires, vane polarizers, and a variety of waveguide structures. For the sake of brevity, the remainder of this article illustrates the basic principle by focusing on one scheme in which a wire grid and two vane polarizers would be used. Wire grids are the key quasi-optical elements in many prior equal-power combiners. In somewhat oversimplified terms, a wire grid reflects an incident beam having an electric field parallel to the wires and passes an incident beam having an electric field perpendicular to the wires. In a typical prior equal-power combining scheme, one provides for two properly phased, equal-amplitude signals having mutually perpendicular linear polarizations to impinge from two mutually perpendicular directions on a wire grid in a plane oriented at an angle of 45 with respect to both beam axes. The wires in the grid are oriented to pass one of the incident beams straight through onto the output path and to reflect the other incident beam onto the output path along with the first-mentioned beam.

Conroy, Bruce↗
NASA NTRS2016

Symmetric Absorber-Coupled Far-Infrared Microwave Kinetic Inductance Detector

The present invention relates to a symmetric absorber-coupled far-infrared microwave kinetic inductance detector including: a membrane having an absorber disposed thereon in a symmetric cross bar pattern; and a microstrip including a plurality of conductor microstrip lines disposed along all edges of the membrane, and separated from a ground plane by the membrane. The conducting microstrip lines are made from niobium, and the pattern is made from a superconducting material with a transition temperature below niobium, including one of aluminum, titanium nitride, or molybdenum nitride. The pattern is disposed on both a top and a bottom of the membrane, and creates a parallel-plate coupled transmission line on the membrane that acts as a half-wavelength resonator at readout frequencies. The parallel-plate coupled transmission line and the conductor microstrip lines form a stepped impedance resonator. The pattern provides identical power absorption for both horizontal and vertical polarization signals.

U-yen, Kongpop↗
DOE OSTI2018

Theoretical and Experimental Insight into the Mechanism for Spontaneous Vertical Growth of ReS 2 Nanosheets

We report that rhenium disulfide (ReS 2 ) differs fundamentally from other group-VI transition metal dichalcogenides (TMDs) due to its low structural symmetry, which results in its optical and electrical anisotropy. Although vertical growth is observed in some TMDs under special growth conditions, vertical growth in ReS 2 is very different in that it is highly spontaneous and substrate-independent. In this study, the mechanism that underpins the thermodynamically favorable vertical growth mode of ReS 2 is uncovered. It is found that the governing mechanism for ReS 2 growth involves two distinct stages. In the first stage, ReS 2 grows parallel to the growth substrate, consistent with conventional TMD growth. However, subsequent vertical growth is nucleated at points on the lattice where Re atoms are “pinched” together. At such sites, an additional Re atom binds with the cluster of pinched Re atoms, leaving an under-coordinated S atom protruding out of the ReS 2 plane. This under-coordinated S is “reactive” and binds to free Re and S atoms, initiating growth in a direction perpendicular to the ReS 2 surface. Lastly, the utility of such vertical ReS 2 arrays in applications where high surface-to-volume ratio and electric-field enhancement are essential, such as surface enhanced Raman spectroscopy, field emission, and solar-based disinfection of bacteria, is demonstrated.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Systematic study of flow vector fluctuations in $\sqrt{S_{NN}}$ = 5.02 TeV Pb-Pb collisions

Measurements of the 𝑝 T -dependent flow vector fluctuations in Pb–Pb collisions at $\sqrt{S_{NN}}$ = 5.02 TeV using azimuthal correlations with the ALICE experiment at the Large Hadron Collider are presented. A four-particle correlation approach [ALICE Collaboration, Phys. Rev. C 107, L051901 (2023)] is used to quantify the effects of flow angle and magnitude fluctuations separately. This paper extends previous studies to additional centrality intervals and provides measurements of the 𝑝 T -dependent flow vector fluctuations at $\sqrt{S_{NN}}$ = 5.02 TeV with two-particle correlations. Significant 𝑝 T -dependent fluctuations of the $\vec{𝑉}$ 2 flow vector in Pb–Pb collisions are found across different centrality ranges, with the largest fluctuations of up to ∼15% being present in the 5% most central collisions. In parallel, no evidence of significant 𝑝 T -dependent fluctuations of $\vec{𝑉}$ 3 or $\vec{𝑉}$ 4 is found. Additionally, evidence of flow angle and magnitude fluctuations is observed with more than 5⁢𝜎 significance in central collisions. These observations in Pb–Pb collisions indicate where the classical picture of hydrodynamic modeling with a common symmetry plane breaks down. This has implications for hard probes at high 𝑝 T , which might be biased by 𝑝 T -dependent flow angle fluctuations of at least 23% in central collisions. Given the presented results, existing theoretical models should be reexamined to improve our understanding of initial conditions, quark–gluon plasma properties, and the dynamic evolution of the created system.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Unraveling the Determinant Mechanisms in Flow-Mediated Crystal Growth and Phase Behaviors

To uncover the critical mechanisms responsible for mesoscopic level development during flow-mediated crystal growth, we develop a semi-two-way hydrodynamic coupled structural phase-field crystal formalism (HXPFC-s2). The new formalism, inspired by previous attempts at coupling hydrodynamic and phase-field crystal (PFC) equations, allows for studying mesoscopic flow-mediated crystallization at diffusive timescales pertinent to industrial applications. Unlike previous efforts, the devised coupling to the structural PFC (XPFC) equations allows generalization to more complex crystal structures through explicit parameterization of the direct correlation function (DCF). Utilizing the HXPFC-s2 formalism, we seek to uncover the determinant physical mechanisms in crystallization under simple shear flows by comparing temperature-driven crystallization to flow-mediated crystallization under varying flow-strengths. Parallels and deviations of under-cooling and flow-strength effects on crystal growth are drawn using the crystal cluster-size and system ordering time evolutions. In doing so, we identify scaling behaviors with a Peclet-like number, Pe∼, a critical Peclet-like number, Pe∼*, and flow-field-crystal plane-dependent interactions. Our findings may be relevant for controlling crystal growth and phase behaviors in flow applications.

Willis, L. Connor (ORCID:0009000961321848)↗
DOE OSTI2013

Fast deterministic switching in orthogonal spin torque devices via the control of the relative spin polarizations

We model 100 ps pulse switching dynamics of orthogonal spin transfer (OST) devices that employ an out-of-plane polarizer and an in-plane polarizer. Simulation results indicate that increasing the spin polarization ratio, C{sub P} = P{sub IPP}/P{sub OPP}, results in deterministic switching of the free layer without over-rotation (360° rotation). By using spin torque asymmetry to realize an enhanced effective P{sub IPP}, we experimentally demonstrate this behavior in OST devices in parallel to anti-parallel switching. Modeling predicts that decreasing the effective demagnetization field can substantially reduce the minimum C{sub P} required to attain deterministic switching, while retaining low critical switching current, I{sub p} ∼ 500 μA.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗