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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 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Azimuthally polarized cathodoluminescence from InP nanowires

We determine the angle and polarization dependent emission from 1.75 µm and 2.50 µm long InP nanowires by using cathodoluminescence polarimetry. We excite the vertical wires using a 5 keV electron beam, and find that the 880 nm bandgap emission shows azimuthally polarized rings, with the number of rings depending on the wire height. The data agree well with a model in which spontaneous emission from the wire emitted into the far field interferes with emission reflected off the substrate. From the model, the depth range from which the emission is generated is found to be up to 400 nm below the top surface of the wires, well beyond the extent of the primary electron cloud. This enables a probe of the carrier diffusion length in the InP nanowires.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Mn doped InSb studied at the atomic scale by cross-sectional scanning tunneling microscopy

We present an atomically resolved study of metal-organic vapor epitaxy grown Mn doped InSb. Both topographic and spectroscopic measurements have been performed by cross-sectional scanning tunneling microscopy (STM). The measurements on the Mn doped InSb samples show a perfect crystal structure without any precipitates and reveal that Mn acts as a shallow acceptor. The Mn concentration of the order of ∼10{sup 20 }cm{sup −3} obtained from the cross-sectional STM data compare well with the intended doping concentration. While the pair correlation function of the Mn atoms showed that their local distribution is uncorrelated beyond the STM resolution for observing individual dopants, disorder in the Mn ion location giving rise to percolation pathways is clearly noted. The amount of clustering that we see is thus as expected for a fully randomly disordered distribution of the Mn atoms and no enhanced clustering or second phase material was observed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Thermodynamical and structural properties of some liquid transition metals near melting point

Structure factor S(q) and thermodynamic properties like entropy (S), isothermal compressibility (χ{sub T}), specific heat (C{sub V}) have been calculated for liquid 3d (Ti, V, Cr and Mn), 4d (Pd, Zr) and 5d (Pt) transition metals. In this work, we have used newly constructed Bretonnet-Silbert potential to describe electron-ion and ion-ion interaction using different reference systems. It is observed that our results are found to be in good agreement with experimental data as well as with other theoretical results.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Removal of malachite green dye from aqueous solution using mesoporous silica synthesized from 1-octyl-3-methylimidazolium chloride ionic liquid

In this research, mesoporous silica was synthesized via a modified sol-gel route using 1-octyl-3-methylimidazolium chloride and was employed to remove malachite green (MG) dye from aqueous solution. Subsequently, this material was characterized and identified by different techniques such as Fourier transform infrared spectroscopy (FT-IR), N{sub 2} adsorption-desorption method, scanning electron microscopy (SEM), and thermosgravimetric analysis (TGA). Unique properties such as high surface area and pore diameter, in addition to highly reactive atoms and presence of various functional groups make the mesoporous silica possible for efficient removal of malachite green (MG). In batch experimental set-up, optimum conditions for quantitative removal of MG by mesoporous silica was attained by varying different variables such as adsorbent dosage, initial dye concentration, contact time, and pH. Optimum values were set as pH of 8.0, 0.5 g of adsorbent at contact time of 120 min. The adsorption of MG follows the pseudo-second-order rate equation. Equilibrium data fitted well with the Freundlich model at all amount of adsorbent, while maximum adsorption capacity was 5.981 mg g{sup −}1 for 0.5 g mesoporous silica synthesized in IL.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Determination of ultra-short laser induced damage threshold of KH{sub 2}PO{sub 4} crystal: Numerical calculation and experimental verification

Rapid growth and ultra-precision machining of large-size KDP (KH{sub 2}PO{sub 4}) crystals with high laser damage resistance are tough challenges in the development of large laser systems. It is of high interest and practical significance to have theoretical models for scientists and manufacturers to determine the laser-induced damage threshold (LIDT) of actually prepared KDP optics. Here, we numerically and experimentally investigate the laser-induced damage on KDP crystals in ultra-short pulse laser regime. On basis of the rate equation for free electron generation, a model dedicated to predicting the LIDT is developed by considering the synergistic effect of photoionization, impact ionization and decay of electrons. Laser damage tests are performed to measure the single-pulse LIDT with several testing protocols. The testing results combined with previously reported experimental data agree well with those calculated by the model. By taking the light intensification into consideration, the model is successfully applied to quantitatively evaluate the effect of surface flaws inevitably introduced in the preparation processes on the laser damage resistance of KDP crystals. This work can not only contribute to further understanding of the laser damage mechanisms of optical materials, but also provide available models for evaluating the laser damage resistance of exquisitely prepared optical components used in high power laser systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

XPS study of surface state of novel perovskite system Dy{sub 0.5}Sr{sub 0.5}Co{sub 0.8}Fe{sub 0.2}O{sub 3-δ} as cathode for solid oxide fuel cells

In the present attempt,novel perovskite oxide Dy{sub 0.5}Sr{sub 0.5}Co{sub 0.8}Fe{sub 0.2}O{sub 3–δ} (DSCF) as cathode material has been synthesized by an Ethylene glycol-citrate combined sol-gel combustion route. Orthorhombic symmetry structure is confirmed by X-ray diffraction (XRD) and data is well fitted using Rietveld refinement by Full-Prof software suite. Chemical natureof surface of DSCF has been analyzed by using X-ray photoelectron spectroscopy (XPS). XPS result shows that Dy ions are in +3 oxidation state and Sr in +2 states. However Co2p and Fe2p spectra indicates partial change in oxidation state from Co3+/Fe3+ to Co4+/Fe4+. These attribute to develop active sites on the surface for oxygen ions. O1s XPS spectra shows two oxygen peaks relatedto lattice oxygen in perovskite and absorbed oxygen in oxygen vacancy are detected. O1s spectra demonstrate the existence of adsorbed oxygen species on the surface of DSCF oxide which is quite beneficial for intermediate temperature of Solid Oxide Fuel Cell.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Local structural study of doped-ceria by EXAFS spectroscopy

In the present work, Structural and Local structural study of Sm, Gd doped and Sm-Gd co-doped ceria system has been studied by Extended X-ray Absorption Fine Structure Spectroscopy (EXAFS). These ceria based systems are synthesized by hydrothermal synthesis route. Fluorite structure is confirmed by X-ray diffraction (XRD) and data is well fitted using Rietveld refinement by Full-Prof suite. Local structural changes in terms of coordination with surrounding, inter atomic distances and Debye Waller factor of nearest neighbor and next nearest neighbor has been discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Reactive flow modeling of small scale detonation failure experiments for a baseline non-ideal explosive

Small scale characterization experiments using only 1–5 g of a baseline ammonium nitrate plus fuel oil (ANFO) explosive are discussed and simulated using an ignition and growth reactive flow model. There exists a strong need for the small scale characterization of non-ideal explosives in order to adequately survey the wide parameter space in sample composition, density, and microstructure of these materials. However, it is largely unknown in the scientific community whether any useful or meaningful result may be obtained from detonation failure, and whether a minimum sample size or level of confinement exists for the experiments. In this work, it is shown that the parameters of an ignition and growth rate law may be calibrated using the small scale data, which is obtained from a 35 GHz microwave interferometer. Calibration is feasible when the samples are heavily confined and overdriven; this conclusion is supported with detailed simulation output, including pressure and reaction contours inside the ANFO samples. The resulting shock wave velocity is most likely a combined chemical-mechanical response, and simulations of these experiments require an accurate unreacted equation of state (EOS) in addition to the calibrated reaction rate. Other experiments are proposed to gain further insight into the detonation failure data, as well as to help discriminate between the role of the EOS and reaction rate in predicting the measured outcome.

42 ENGINEERING↗
DOE OSTI2016

On twin density and resistivity of nanometric Cu thin films

Crystal orientation mapping in the transmission electron microscope was used to quantify the twin boundary length fraction per unit area for five Ta{sub 38}Si{sub 14}N{sub 48}/SiO{sub 2} encapsulated Cu films with thicknesses in the range of 26–111 nm. The length fraction was found to be higher for a given twin-excluded grain size for these films compared with previously investigated SiO{sub 2} and Ta/SiO{sub 2} encapsulated films. The quantification of the twin length fraction per unit area allowed the contribution of the twin boundaries to the size effect resistivity to be assessed. It is shown that the increased resistivity of the Ta{sub 38}Si{sub 14}N{sub 48} encapsulated Cu films compared with the SiO{sub 2} and Ta/SiO{sub 2} encapsulated films is not a result of increased surface scattering, but it is a result of the increase in the density of twin boundaries. With twin boundaries included in the determination of grain size as a mean-intercept length, the resistivity data are well described by 2-parameter Matthiessen's rule summation of the Fuchs-Sondheimer and Mayadas Shatzkes models, with p and R parameters that are within experimental error equal to those in prior reports and are p = 0.48(+0.33/−0.31) and R = 0.27 ± 0.03.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Observations of non-linear plasmon damping in dense plasmas

Here, we present simulations using finite-temperature density-functional-theory molecular-dynamics to calculate dynamic dielectric properties in warm dense aluminum. The comparison between exchange-correlation functionals in the Perdew, Burke, Ernzerhof approximation, Strongly Constrained and Appropriately Normed Semilocal Density Functional, and Heyd, Scuseria, Ernzerhof (HSE) approximation indicates evident differences in the electron transition energies, dc conductivity, and Lorenz number. The HSE calculations show excellent agreement with x-ray scattering data as well as dc conductivity and absorption measurements. These findings demonstrate non-Drude behavior of the dynamic conductivity above the Cooper minimum that needs to be taken into account to determine optical properties in the warm dense matter regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Vapor phase nucleation of the short-chain n -alkanes ( n -pentane, n -hexane and n -heptane): Experiments and Monte Carlo simulations

We measured the nucleation rates of n-pentane through n-heptane in a supersonic nozzle at temperatures ranging from ca. 109 K to 168 K. For n-pentane and n-hexane, these are the first nucleation rate measurements that have been made, and the trends in the current data agree well with those in the earlier work of Ghosh et al. for longer chain alkanes. Complementary Monte Carlo simulations, using the transferable potentials for phase equilibria-united atom potentials, suggest that despite the high degree of supercooling, the critical clusters remain liquid like under experimental conditions for n-pentane through n-heptane, but adopt more ordered structures for n-octane and n-nonane. For all three alkanes, the experimental and simulated nucleation rates are offset by ~3 orders of magnitude when plotted as a function of ln S/(T c /T – 1) 1.5 . Explicitly accounting for the surface tension difference between the real and model substances, or alternatively using the Hale scaling parameter, Ω, consistent with the model potential, increases the offset to ~6 orders of magnitude.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Total variation-based neutron computed tomography

We perform the neutron computed tomography reconstruction problem via an inverse problem formulation with a total variation penalty. In the case of highly under-resolved angular measurements, the total variation penalty suppresses high-frequency artifacts which appear in filtered back projections. Here, in order to efficiently compute solutions for this problem, we implement a variation of the split Bregman algorithm; due to the error-forgetting nature of the algorithm, the computational cost of updating can be significantly reduced via very inexact approximate linear solvers. We present the effectiveness of the algorithm in the significantly low-angular sampling case using synthetic test problems as well as data obtained from a high flux neutron source. Finally, the algorithm removes artifacts and can even roughly capture small features when an extremely low number of angles are used.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Dynamic absorption in optical pyrometry of hot spots in plastic-bonded triaminotrinitrobenzene [Optical Pyrometry of Shock-induced Hot Spots in Plastic-bonded Triaminotrinitrobenzene]

Herein we demonstrate a methodology for measuring optical pyrometry in environments which are disadvantageous for typical pyrometery applications by introducing additional fit parameters to account for absorption or emission which convolutes the thermal spectrum. Emission spectra from a plastic-bonded formulation of triaminotrinitrobenzene (TATB) shocked by 2-4 km s -1 impacts with Al flyer plates show significant deviations from graybody behavior. To extract reliable temperatures via optical pyrometry, we fit the spectra to a combination of a graybody and either a Gaussian absorption or emission spectrum. We found that the absorption needed to fit the data corresponds well with the known pressure-dependent absorption of TATB, and that the absorption model gives temperatures and emissivities in line with other explosives. By contrast, emission gives temperatures too low and emissivities that decrease as more material reacts. We conclude the nonthermal part of the spectrum is dominated by the absorption of unreacted TATB, and accurate pyrometry of TATB must use either our graybody plus absorption model or must limit the spectral range of observation to above 650 nm.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A purely kinetic description of the evaporation of water droplets

The process of water evaporation, although deeply studied, does not enjoy a kinetic description that captures known physics and can be integrated with other detailed processes such as drying of catalytic membranes embedded in vapor-fed devices and chemical reactions in aerosol whose volumes are changing dynamically. In this work, we present a simple, three-step kinetic model for water evaporation that is based on theory and validated by using well-established thermodynamic models of droplet size as a function of time, temperature, and relative humidity as well as data from time-resolved measurements of evaporating droplet size. Additionally, the kinetic mechanism for evaporation is a combination of two limiting processes occurring in the highly dynamic liquid-vapor interfacial region: direct first order desorption of a single water molecule and desorption resulting from a local fluctuation, described using third order kinetics. The model reproduces data over a range of relative humidities and temperatures only if the interface that separates bulk water from gas phase water has a finite width, consistent with previous experimental and theoretical studies. The influence of droplet cooling during rapid evaporation on the kinetics is discussed; discrepancies between the various models point to the need for additional experimental data to identify their origin.

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

Synchronisation of self-oscillations in a solid-state ring laser with pump modulation in the region of parametric resonance between self-modulation and relaxation oscillations

The synchronisation of the self-modulation oscillation frequency in a Nd : YAG ring laser by an external periodic signal modulating the pump power in the region of parametric resonance between self-modulation and relaxation oscillations is studied theoretically and experimentally. The characteristic features of synchronisation processes in lasers operating in the self-modulation regime of the first kind and in the regime with a doubled self-modulation period are considered. Two bistable branches of synchronisation of self-modulation oscillations are found by numerical calculation. The experimental data agree well with the numerical simulation results for one of these branches, but the other branch of bistable self-modulation oscillations was not observed experimentally. (control of laser radiation parameters)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Detection of electric current pulses by a fibre-optic sensor using spun fibre

We have studied distinctive features of the response of a fibre-optic current sensor with a spun-fibre sensing loop to short current pulses. It has been shown theoretically that, in a reflective interferometer, the polarisation mode dispersion (PMD) in the sensing spun fibre has no effect on the pulsed output signal of the sensor, in contrast to the PMD in a connecting fibre line. The response of the current sensor to a rectangular pulse has linear edges and its duration is determined by the relationship between the current pulse duration and the light propagation time in the spun fibre. The transition from a linear edge to the maximum sensor response is not accompanied by any transient process. The maximum response amplitude corresponds to the response to an equivalent direct current at a current pulse duration exceeding the light propagation time in the spun fibre. The present calculation results and experimental data agree well for current pulses longer than 300 ns at a light propagation time in the spun fibre of ∼1 μs. (fibre-optic sensors)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

A UBVI AND uvbyCaH{beta} ANALYSIS OF THE INTERMEDIATE-AGE OPEN CLUSTER, NGC 5822

NGC 5822 is a richly populated, moderately nearby, intermediate-age open cluster covering an area larger than the full moon on the sky. A CCD survey of the cluster on the UBVI and uvbyCaH{beta} systems shows that the cluster is superposed upon a heavily reddened field of background stars with E(B - V) > 0.35 mag, while the cluster has small and uniform reddening at E(b - y) = 0.075 {+-} 0.008 mag or E(B - V) = 0.103 {+-} 0.011 mag, based upon 48 and 61 probable A and F dwarf single-star members, respectively. The errors quoted include both internal photometric precision and external photometric uncertainties. The metallicity derived from 61 probable single F-star members is [Fe/H] = -0.058 {+-} 0.027 (sem) from m{sub 1} and 0.010 {+-} 0.020 (sem) from hk, for a weighted average of [Fe/H] = -0.019 {+-} 0.023, where the errors refer to the internal errors from the photometry alone. With reddening and metallicity fixed, the cluster age and apparent distance modulus are obtained through a comparison to appropriate isochrones in both VI and BV, producing 0.9 {+-} 0.1 Gyr and 9.85 {+-} 0.15, respectively. The giant branch remains dominated by two distinct clumps of stars, though the brighter clump seems a better match to the core-He-burning phase while the fainter clump straddles the first-ascent red giant branch. Four potential new clump members have been identified, equally split between the two groups. Reanalysis of the UBV two-color data extending well down the main sequence shows it to be optimally matched by reddening near E(B - V) = 0.10 rather than the older value of 0.15, leading to [Fe/H] between -0.16 and 0.00 from the ultraviolet excess of the unevolved dwarfs. The impact of the lower reddening and younger age of the cluster on previous analyses of the cluster is discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

VARIABILITY IN OPTICAL SPECTRA OF {epsilon} ORIONIS

We present the results of a time series analysis of 130 echelle spectra of {epsilon} Ori (B0 Ia), acquired over seven observing seasons between 1998 and 2006 at Ritter Observatory. The equivalent widths of H{alpha} (net) and He I {lambda}5876 were measured and radial velocities were obtained from the central absorption of He I {lambda}5876. Temporal variance spectra (TVS) revealed significant wind variability in both H{alpha} and He I {lambda}5876. The He I TVS have a double-peaked profile consistent with radial velocity oscillations. A periodicity search was carried out on the equivalent width and radial velocity data, as well as on wavelength-binned spectra. This analysis has revealed several periods in the variability with timescales of two to seven days. Many of these periods exhibit sinusoidal modulation in the associated phase diagrams. Several of these periods were present in both H{alpha} and He I, indicating a possible connection between the wind and the photosphere. Due to the harmonic nature of these periods, stellar pulsations may be the origin of some of the observed variability. Periods on the order of the rotational period were also detected in the He I line in the 1998-1999 season and in both lines during the 2004-2005 season. These periods may indicate rotational modulation due to structure in the wind.

79 ASTRONOMY AND ASTROPHYSICS↗