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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2010

Comparative study on passivation of GaAs{sub 0.86}P{sub 0.14}/Al{sub 0.6}Ga{sub 0.4}As near-surface quantum well

The authors report a comparative study on ex situ passivation of a near-surface GaAs{sub 0.86}P{sub 0.14}/Al{sub 0.6}Ga{sub 0.4}As quantum well using various sulfide solutions and nitrogen plasma treatments. The built-in surface electric field is changed via band bending by applying various surface passivation conditions. The band bending is measured using x-ray photoelectron spectroscopy. Reduction in surface electric field in the range of 10-35 kV/cm is observed depending on different passivation conditions. The photoreflectance spectra show enhancement in intensity and blueshift of {approx}3 meV accompanied by significant reduction in the broadening parameter of the observed e{sub 1}-lh{sub 1} transitions. Among all the methods studied here, passivation by Na{sub 2}S{center_dot}xH{sub 2}O is found to be most effective as it removes the native oxide layer completely leading to almost flat band condition.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Fiducial marker-based correction for involuntary motion in weight-bearing C-arm CT scanning of knees. II. Experiment

Purpose: A C-arm CT system has been shown to be capable of scanning a single cadaver leg under loaded conditions by virtue of its highly flexible acquisition trajectories. In Part I of this study, using the 4D XCAT-based numerical simulation, the authors predicted that the involuntary motion in the lower body of subjects in weight-bearing positions would seriously degrade image quality and the authors suggested three motion compensation methods by which the reconstructions could be corrected to provide diagnostic image quality. Here, the authors demonstrate that a flat-panel angiography system is appropriate for scanning both legs of subjectsin vivo under weight-bearing conditions and further evaluate the three motion-correction algorithms using in vivo data. Methods: The geometry of a C-arm CT system for a horizontal scan trajectory was calibrated using the PDS-2 phantom. The authors acquired images of two healthy volunteers while lying supine on a table, standing, and squatting at several knee flexion angles. In order to identify the involuntary motion of the lower body, nine 1-mm-diameter tantalum fiducial markers were attached around the knee. The static mean marker position in 3D, a reference for motion compensation, was estimated by back-projecting detected markers in multiple projections using calibrated projection matrices and identifying the intersection points in 3D of the back-projected rays. Motion was corrected using three different methods (described in detail previously): (1) 2D projection shifting, (2) 2D deformable projection warping, and (3) 3D rigid body warping. For quantitative image quality analysis, SSIM indices for the three methods were compared using the supine data as a ground truth. Results: A 2D Euclidean distance-based metric of subjects’ motion ranged from 0.85 mm (±0.49 mm) to 3.82 mm (±2.91 mm) (corresponding to 2.76 to 12.41 pixels) resulting in severe motion artifacts in 3D reconstructions. Shifting in 2D, 2D warping, and 3D warping improved the SSIM in the central slice by 20.22%, 16.83%, and 25.77% in the data with the largest motion among the five datasets (SCAN5); improvement in off-center slices was 18.94%, 29.14%, and 36.08%, respectively. Conclusions: The authors showed that C-arm CT control can be implemented for nonstandard horizontal trajectories which enabled us to scan and successfully reconstruct both legs of volunteers in weight-bearing positions. As predicted using theoretical models, the proposed motion correction methods improved image quality by reducing motion artifacts in reconstructions; 3D warping performed better than the 2D methods, especially in off-center slices.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2022

Tailoring sub-3.3 Å ultramicropores in advanced carbon molecular sieve membranes for blue hydrogen production

Carbon molecular sieve (CMS) membranes prepared by carbonization of polymers containing strongly size-sieving ultramicropores are attractive for high-temperature gas separations. However, polymers need to be carbonized at extremely high temperatures (900° to 1200°C) to achieve sub-3.3 Å ultramicroporous channels for H 2 /CO 2 separation, which makes them brittle and impractical for industrial applications. Here, we demonstrate that polymers can be first doped with thermolabile cross-linkers before low-temperature carbonization to retain the polymer processability and achieve superior H 2 /CO 2 separation properties. Specifically, polybenzimidazole (PBI) is cross-linked with pyrophosphoric acid (PPA) via H bonding and proton transfer before carbonization at ≤600°C. The synergistic PPA doping and subsequent carbonization of PBI increase H 2 permeability from 27 to 140 Barrer and H 2 /CO 2 selectivity from 15 to 58 at 150°C, superior to state-of-the-art polymeric materials and surpassing Robeson’s upper bound. This study provides a facile and effective way to tailor subnanopore size and porosity in CMS membranes with desirable molecular sieving ability.

42 ENGINEERING↗
DOE OSTI2024

Electronic-grade epitaxial (111) KTaO 3 heterostructures

KTaO 3 heterostructures have recently attracted attention as model systems to study the interplay of quantum paraelectricity, spin-orbit coupling, and superconductivity. However, the high and low vapor pressures of potassium and tantalum present processing challenges to creating heterostructure interfaces clean enough to reveal the intrinsic quantum properties. Here, we report superconducting heterostructures based on high-quality epitaxial (111) KTaO 3 thin films using an adsorption-controlled hybrid PLD to overcome the vapor pressure mismatch. Electrical and structural characterizations reveal that the higher-quality heterostructure interface between amorphous LaAlO 3 and KTaO 3 thin films supports a two-dimensional electron gas with substantially higher electron mobility, superconducting transition temperature, and critical current density than that in bulk single-crystal KTaO 3 -based heterostructures. Our hybrid approach may enable epitaxial growth of other alkali metal–based oxides that lie beyond the capabilities of conventional methods.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Wide-ranging predictions of new stable compounds powered by recommendation engines

The computational search for new stable inorganic compounds is faster than ever, thanks to high-throughput density functional theory (DFT). However, stable compound searches remain highly expensive because of the enormous search space and the cost of DFT calculations. To aid these searches, recommendation engines have been developed. We conduct a systematic comparison of the performance of previously developed recommendation engines, specifically ones based on elemental substitution, data mining, and neural network prediction of formation enthalpy. After identifying ways to improve the recommendation engines, we find the neural network to be superior at recommending stable Heusler compounds. Armed with improved recommendation engines, we identify tens of thousands of compounds that are stable at zero temperature and pressure, now available in the Open Quantum Materials Database. We summarize this diverse pool of compounds, including the elusive mixed anion compounds, and two of their many applications: thermoelectricity and solar thermochemical fuel production.

Science & Technology - Other Topics↗
DOE OSTI2011

Bipolar charging of dust particles under ultraviolet radiation

The photoemission charging of dust particles under ultraviolet radiation from a xenon lamp has been investigated. The velocities of yttrium dust particles with a work function of 3.3 eV and their charges have been determined experimentally; the latter are about 400-500 and about 100 elementary charges per micron of radius for the positively and negatively charged fractions, respectively. The dust particle charging and the dust cloud evolution in a photoemission cell after exposure to an ultraviolet radiation source under the applied voltage have been simulated numerically. The photoemission charging of dust particles has been calculated on the basis of nonlocal and local charging models. Only unipolar particle charging is shown to take place in a system of polydisperse dust particles with the same photoemission efficiency. It has been established that bipolar charging is possible in the case of monodisperse particles with different quantum efficiencies. Polydispersity in this case facilitates the appearance of oppositely charged particles in a photoemission plasma.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Orbital motion of dust particles in an rf magnetron discharge. Ion drag force or neutral atom wind force

Microparticles with sizes up to 130 {mu}m have been confined and the velocity and diameter of particles in a plasma trap of an rf magnetron discharge with an arc magnetic field have been simultaneously measured. The motion of the gas induced by electron and ion cyclotron currents has been numerically simulated using the Navier-Stokes equation. The experimental and numerical results confirm the mechanism of the orbital motion of dust particles in the magnetron discharge plasma that is associated with the orbital motion of the neutral gas accelerated by electron and ion drift flows in crossed electric and magnetic fields.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Electrostatic interaction of two charged macroparticles in an equilibrium plasma

This article is a critical review of publications devoted to studying the electrostatic interaction of two charged macroparticles in an equilibrium plasma. It is shown from an analysis of the force of interaction based on the Maxwell stress tensor that two macroparticles with identical charges in the Poisson–Boltzmann model always repel each other both in isothermal and nonisothermal plasmas. At distances between macroparticles for which the Boltzmann exponents can be linearized, the interaction between macroparticles is completely described by the Debye–Hückel model. The correction to free energy due to the electrostatic interaction in the system of two macroparticles is determined by integrating the correction to the internal energy and by direct calculation of the correction for entropy. It is shown that the free energy coincides with the Yukawa potential. The coincidence of the interaction energy obtained by integrating the force of interaction with the free energy leads to the conclusion about the potential nature of the force of interaction between two macroparticles in an equilibrium plasma. The effect of the outer boundary on the electrostatic interaction force is analyzed; it is shown that the type of interaction depends on the choice of the boundary conditions at the outer boundary. It is also shown that the accumulation of space charge near the outer boundary can lead to the attraction of similarly charged particles at distances comparable with the radius of the outer boundary.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Ionic composition of a humid air plasma under ionizing radiation

A kinetic model is proposed for ion–molecular processes involving charged particles of a humid air plasma produced by a fast electron beam. The model includes more than 600 processes involving electrons and 41 positive and 14 negative ions, including hydrated ions H{sub 3}O{sup +} (H{sub 2}O){sub n} and O{sub 2}{sup −}(H{sub 2}O){sub n} with n = 1, 2, …, 12. The energy costs of production of electron–ion pairs and electronic and vibrational (for water molecules, also rotational) excitation of molecules are calculated in nitrogen, oxygen, water vapor, air, and humid air. A method is proposed for calculating the energy costs in mixtures by the calculation data in pure gases. The evolution of the plasma composition is studied by the numerical solution of a system of 56 time-dependent balance equations for the number of charged particles of plasma by the fourth-order Runge–Kutta method. The steady-state composition of plasma is determined by solving nonlinear steady-state balance equations for the ionization rates of humid air from 10 to 10{sup 16} cm{sup –3}/s and the fraction of water molecules from 10{sup –3}% to 1.5%. It is established that, for water vapor content (the ratio of the number density of water molecules to the total number density of air molecules) of 0.015–1.5% in air at atmospheric pressure and room temperature, the main ion species are two types of positive ions H{sub 3}O{sup +} (H{sub 2}O){sub n} with the number of water molecules n = 5, 6 and three species of negative ions O{sub 2}{sup −}(H{sub 2}O){sub n} with n = 5, 8, 9.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Analysis of macroparticle charge screening in a nonequilibrium plasma based on the kinetic collisional point sink model

The screening of macroparticles in a nonequilibrium plasma is considered on the basis of the Vlasov kinetic equations supplemented with the collisional term in the Bhatnagar–Gross–Krook approximation and the point sink method. In this method, the absorption of electrons and ions by a macroparticle is described by introducing effective point sinks into the kinetic equations for plasma electrons and ions. Explicit expressions are derived for the potential distribution around a macroparticle and effective charges that determine the behavior of the potential at large distances taking into account collisions of electrons and ions with neutral buffer gas atoms. We consider the cases of a constant collision frequency and constant mean free paths of electrons and ions in the buffer gas. Numerical calculations are performed for dusty isothermal and nonisothermal plasmas in helium, neon, argon, krypton, and xenon at pressures of 10{sup –1} to 10{sup 4} Pa, which are typical of experiments with dusty plasmas.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Dust trap formation in a non-self-sustained discharge with external gas ionization

Results from numerical studies of a non-self-sustained gas discharge containing micrometer dust grains are presented. The non-self-sustained discharge (NSSD) was controlled by a stationary fast electron beam. The numerical model of an NSSD is based on the diffusion drift approximation for electrons and ions and self-consistently takes into account the influence of the dust component on the electron and ion densities. The dust component is described by the balance equation for the number of dust grains and the equation of motion for dust grains with allowance for the Stokes force, gravity force, and electric force in the cathode sheath. The interaction between dust grains is described in the self-consistent field approximation. The height of dust grain levitation over the cathode is determined and compared with experimental results. It is established that, at a given gas ionization rate and given applied voltage, there is a critical dust grain size above which the levitation condition in the cathode sheath cannot be satisfied. Simulations performed for the dust component consisting of dust grains of two different sizes shows that such grains levitate at different heights, i.e., size separation of dust drains levitating in the cathode sheath of an NSSD takes place.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Penning plasma based simultaneous light emission source of visible and VUV lights

In this paper, a laboratory-based penning plasma discharge source is reported which has been developed in two anode configurations and is able to produce visible and VUV lights simultaneously. The developed source has simultaneous diagnostics facility using Langmuir probe and optical emission spectroscopy. The two anode configurations, namely, double ring and rectangular configurations, have been studied and compared for optimum use of the geometry for efficient light emissions and recording. The plasma is produced using helium gas and admixture of three noble gases including helium, neon, and argon. The source is capable to produce eight spectral lines for pure helium in the VUV range from 20 to 60 nm and total 24 spectral lines covering the wavelength range 20–106 nm for the admixture of gases. The large range of VUV lines is generated from gaseous admixture rather from the sputtered materials. The recorded spectrum shows that the plasma light radiations in both visible and VUV range are larger in double ring configuration than that of the rectangular configurations at the same discharge operating conditions. To clearly understand the difference, the imaging of the discharge using ICCD camera and particle-in-cell simulation using VORPAL have also been carried out. The effect of ion diffusion, metastable collision with the anode wall and the nonlinear effects are correlated to explain the results.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2017

Experimental and theoretical study of the near IR emission of xenon excited by a fast electron beam

Emission of xenon excited by a 120-keV electron beam at gas pressures of 100, 200, 500, and 760 Torr nm was studied experimentally and theoretically. More than 30 spectral lines were identified in the wavelength range of 750–1000 nm. A self-consistent kinetic model is developed to calculate the emission intensity of xenon atoms in the near IR range. The model includes balance equations for the number densities of electrons, ions and excimer molecules; equations for the populations of electron levels; and the Boltzmann equation for the low-energy part of the electron energy distribution function with a source of slow electrons. Excitation and ionization rates of xenon by the beam electrons and the energy spectrum of slow electrons are calculated by the Monte Carlo method. It is shown that, under these conditions, the main mechanism of xenon atom excitation is dissociative recombination of Xe{sub 3}{sup +} ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Inter atomic force constants of binary and ternary tetrahedral semiconductors

In this paper, we present the expressions relating the inter atomic force constants like as bond-stretching force constant (α in N/m) and bond-bending force constant (β in N/m) for the binary (zinc blende structure) and ternary (chalcopyrite structure) semiconductors with the product of ionic charges (PIC) and crystal ionicity (f{sub i}). Interatomic force constants of these compounds exhibit a linear relationship; when plot a graph between Interatomic force constants and the nearest neighbor distance d (Å) with crystal ionicity (f{sub i}), but fall on different straight lines according to the product of ionic charges of these compounds. A fairly good agreement has been found between the observed and calculated values of the α and β for binary and ternary tetrahedral semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Polarizer-Free Acousto-Optic Monochromators

Monochromators based on a noncollinear acousto-optic filter without external polarizers have been studied. As an element to select an operating diffracted light beam, (1) a spatial filter-telescope and (2) an output plane of a filter crystal rotated in a diffraction plane have been used. In the latter case, dispersion of the acousto-optic filter crystal is compensated using a correcting prism made from the same crystal and placed behind an output filter plane along a path of a filtered light beam. As a result, the transmission coefficient of the monochromator is increased upon an effective compensation of the angular drift of the filtered light beam, the monochromator design is simplified, and its sizes are decreased.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Pulse-shape discrimination against low-energy Ar-39 beta decays in liquid argon with 4.5 tonne-years of DEAP-3600 data

The DEAP-3600 detector searches for the scintillation signal from dark matter particles scattering on a 3.3 tonne liquid argon target. The largest background comes from 39 Ar beta decays and is suppressed using pulse-shape discrimination (PSD). We use two types of PSD estimator: the prompt-fraction, which considers the fraction of the scintillation signal in a narrow and a wide time window around the event peak, and the log-likelihood-ratio, which compares the observed photon arrival times to a signal and a background model. We furthermore use two algorithms to determine the number of photons detected at a given time: (1) simply dividing the charge of each PMT pulse by the mean single-photoelectron charge, and (2) a likelihood analysis that considers the probability to detect a certain number of photons at a given time, based on a model for the scintillation pulse shape and for afterpulsing in the light detectors. The prompt-fraction performs approximately as well as the log-likelihood-ratio PSD algorithm if the photon detection times are not biased by detector effects. We explain this result using a model for the information carried by scintillation photons as a function of the time when they are detected.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗