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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Direct photoisomerization of CH 2 I 2 vs. CHBr 3 in the gas phase: a joint 50 fs experimental and multireference resonance-theoretical study

Femtosecond transient absorption measurements powered by 40 fs laser pulses reveal that ultrafast isomerization takes place upon S1 excitation of both CH2I2 and CHBr3 in the gas phase. The photochemical conversion process is direct and intramolecular, i.e., it proceeds without caging media that have long been implicated in the photo-induced isomerization of polyhalogenated alkanes in condensed phases. Using complete active space second order perturbation theory (CASPT2) calculations, we investigate the structure of the photochemical reaction paths connecting the photoexcited species to their corresponding isomeric forms. Unconstrained minimum energy paths computed starting from the S1 Franck-Condon points lead to S1/S0 conical intersections, which directly connect the parent CHBr3 and CH2I2 molecules to their isomeric forms. Changes in the chemical bonding picture along the S1/S0 isomerization reaction path are described using multireference average coupled pair functional (MRACPF) calculations in conjunction with natural resonance theory (NRT) analysis. These calculations reveal a complex interplay between covalent, radical, ylidic, and ion-pair dominant resonance structures throughout the nonadiabatic photochemical isomerization processes described in this work.

Borin, Veniamin A.↗
DOE OSTI2011

Thermoelectric power of Gd{sub 4}(Co{sub 1-x}Cu{sub x}){sub 3} compounds

We report results of thermoelectric power measurements (S(T)) in ferrimagnetic Gd{sub 4}(Co{sub 1-x}Cu{sub x}){sub 3} compounds with x = 0.05, 0.1, 0.2, and 0.3, in the temperature range 8-300 K. Whereas in Gd{sub 4}Co{sub 3} S(T) is always negative, for x > 0 the substitution of Co for Cu gives rise to the appearance of a low temperature positive maximum in S(T) at around 30 K. Based on our previous study of these compounds, we argue that this maximum in S(T) originates from electron-magnon scattering and is sensitive to electron band structure changes resulting from the substitution of Co for Cu and the accompanying reduction in the ratio between the electron-magnon and the electron-phonon scattering strengths. The decreasing role of Co 3d electrons with the progressive substitution of Co for Cu, evidenced by a strong reduction in the spin disorder resistivity and the Co magnetic moment, is seen to be crucial for the existence of such a low temperature maximum in S(T) for x > 0.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Metal-assisted electroless fabrication of nanoporous p-GaN for increasing the light extraction efficiency of light emitting diodes

We report metal-assisted electroless fabrication of nanoporous p-GaN to improve the light extraction efficiency of GaN-based light emitting diodes (LEDs). Although it has long been believed that p-GaN cannot be etched at room temperature, in this study we find that Ag nanocrystals (NCs) on the p-GaN surface enable effective etching of p-GaN in a mixture of HF and K{sub 2}S{sub 2}O{sub 8} under ultraviolet (UV) irradiation. It is further shown that the roughened GaN/air interface enables strong scattering of photons emitted from the multiple quantum wells (MQWs). The light output power measurements indicate that the nanoporous LEDs obtained after 10 min etching show a 32.7% enhancement in light-output relative to the conventional LEDs at an injection current of 20 mA without significant increase of the operating voltage. In contrast, the samples etched for 20 min show performance degradation when compared with those etched for 10 min, this is attributed to the current crowding effect and increased surface recombination rate.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Electrical transport properties study of Mo{sub 0.6}W{sub 0.4}Se{sub 2} single crystals

The mixed transition metal dichalcogenide single crystals Mo{sub 0.6}W{sub 0.4}Se{sub 2} were characterized employing EDAX (Energy Dispersive Analysis of X-ray), (XRD) X-ray diffraction, SEM (Scanning Electron Microscope) and UV-Vis-NIR spectroscopy techniques. The electrical transport properties of as-grown Mo{sub 0.6}W{sub 0.4}Se{sub 2} single crystals were studied by two probe d. c. resistivity, Hall Effect and thermoelectric power measurement set-up. The obtained results are discussed in details.

36 MATERIALS SCIENCE↗
DOE OSTI2012

A finite-difference time-domain simulation of high power microwave generated plasma at atmospheric pressures

A finite-difference algorithm was developed to calculate several RF breakdown parameters, for example, the formative delay time that is observed between the initial application of a RF field to a dielectric surface and the formation of field-induced plasma interrupting the RF power flow. The analysis is focused on the surface being exposed to a background gas pressure above 50 Torr. The finite-difference algorithm provides numerical solutions to partial differential equations with high resolution in the time domain, making it suitable for simulating the time evolving interaction of microwaves with plasma; in lieu of direct particle tracking, a macroscopic electron density is used to model growth and transport. This approach is presented as an alternative to particle-in-cell methods due to its low complexity and runtime leading to more efficient analysis for a simulation of a microsecond scale pulse. The effect and development of the plasma is modeled in the simulation using scaling laws for ionization rates, momentum transfer collision rates, and diffusion coefficients, as a function of electric field, gas type and pressure. The incorporation of plasma material into the simulation involves using the Z-transform to derive a time-domain algorithm from the complex frequency-dependent permittivity of plasma. Therefore, the effect of the developing plasma on the instantaneous microwave field is calculated. Simulation results are compared with power measurements using an apparatus designed to facilitate surface flashover across a polycarbonate boundary in a controlled N{sub 2}, air, or argon environment at pressures exceeding 50 Torr.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

High excitation power photoluminescence studies of ultra-low density GaAs quantum dots

We fabricate GaAs epitaxial quantum dots (QDs) by filling of self-organized nanoholes in AlGaAs. The QDs are fabricated under optimized process conditions and have ultra-low density in the 10{sup 6} cm{sup −2} regime. At low excitation power the optical emission of single QDs exhibit sharp excitonic lines, which are attributed to the recombination of excitonic and biexcitonic states. High excitation power measurements reveal surprisingly broad emission lines from at least six QD shell states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Influence of helium puff on divertor asymmetry in Experimental Advanced Superconducting Tokamak

Divertor asymmetries with helium puffing are investigated in various divertor configurations on Experimental Advanced Superconducting Tokamak (EAST). The outer divertor electron temperature decreases significantly during the gas injection at the outer midplane. As soon as the gas is injected into the edge plasma, the power deposition drops sharply at the lower outer target while increases gradually at the lower inner target in LSN configuration; the power deposition increases quickly at the upper outer target while remains unchanged at the upper inner target in upper single null configuration; the power deposition increases slightly at the outer targets while shows no obvious variation at the inner targets in double null configuration. The radiated power measured by the extreme ultraviolet arrays increases significantly due to helium gas injection, especially in the outer divertor. The edge parameters are measured by reciprocating probes at the outer midplane, showing that the electron temperature and density increase but the parallel Mach number decreases significantly due to the gas injection. Effects of poloidal E × B drifts and parallel SOL flows on the divertor asymmetry observed in EAST are also discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Note: High turn density magnetic coils with improved low pressure water cooling for use in atom optics

We describe a magnetic coil design utilizing concentrically wound electro-magnetic insulating (EMI) foil (25.4 μm Kapton backing and 127 μm thick layers). The magnetic coils are easily configurable for different coil sizes, while providing large surfaces for low-pressure (0.12 bar) water cooling. The coils have turn densities of ∼5 mm{sup −1} and achieve a maximum of 377 G at 2.1 kW driving power, measured at a distance 37.9 mm from the axial center of the coil. The coils achieve a steady-state temperature increase of 36.7°C/kW.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Spin-glass behaviors in carrier polarity controlled Fe{sub 3−x}Ti{sub x}O{sub 4} semiconductor thin films

Carrier-type control of spin-glass (cluster spin-glass) is studied in order to engineer basic magnetic semiconductor elements using the memory functions of spin-glass. A key of carrier-polarity control in magnetite is the valence engineering between Fe(II) and Fe(III) that is achieved by Ti(IV) substitution. Single phases of (001)-oriented Fe{sub 3−x}Ti{sub x}O{sub 4} thin films have been obtained on spinel MgAl{sub 2}O{sub 4} substrates by pulsed laser deposition. Thermoelectric power measurements reveal that Ti-rich films (x = 0.8) show p-type conduction, while Ti-poor films (x = 0.6–0.75) show n-type conduction. The systematic Fe(III) reduction to Fe(II) followed by Ti(IV) substitution in the octahedral sublattice is confirmed by the X-ray absorption spectra. All of the Fe{sub 3−x}Ti{sub x}O{sub 4} films (x = 0.6–0.8) exhibit ferrimagnetism above room temperature. Next, the spin-glass behaviors of Ti-rich Fe{sub 2.2}Ti{sub 0.8}O{sub 4} film are studied, since this magnetically diluted system is expected to exhibit the spin-glass behaviors. The DC magnetization and AC susceptibility measurements for the Ti-rich Fe{sub 2.2}Ti{sub 0.8}O{sub 4} film reveal the presence of the spin glass phase. Thermal- and magnetic-field-history memory effects are observed and are attributed to the long time-decay nature of remanent magnetization. The detailed analysis of the time-dependent thermoremanent magnetization reveals the presence of the cluster spin glass state.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Optical properties of bimodally distributed InAs quantum dots grown on digital AlAs 0.56 Sb 0.44 matrix for use in intermediate band solar cells

For this work, high-quality InAs quantum dots (QDs) with nominal thicknesses of 5.0–8.0 monolayers were grown on a digital AlAs 0.56 Sb 0.44 matrix lattice-matched to the InP(001) substrate. All QDs showed bimodal size distribution, and their optical properties were investigated by photoluminescence (PL) and time-resolved PL measurements. Power dependent PL exhibited a linear relationship between the peak energy and the cube root of the excitation power for both the small QD family (SQDF) and the large QD family (LQDF), which is attributed to the type-II transition. The PL intensity, peak energy, and carrier lifetime of SQDF and LQDF showed very sensitive at high temperature. Above 125 K, the PL intensity ratio increased continuously between LQDF and SQDF, the peak energy shifted anomalously in SQDF, and the longer carrier radiative lifetime (≥3.0 ns at 77 K) reduced rapidly in SQDF and slowly in LQDF. These results are ascribed to thermally activated carrier escape from SQDF into the wetting layer, which then relaxed into LQDF with low-localized energy states.

14 SOLAR ENERGY↗
DOE OSTI2019

The effects of surface roughness on specular diagnostics in shocked experiments

Many shock experiments, whether impact, laser, or magnetically driven, use reflected optical light from shocked samples to diagnose their material properties. Specifically, optical velocimetry diagnostics, which do not require absolute power measurements, are regularly used to obtain equation-of-state information of materials. However, new diagnostics will be necessary to expand the realm of measured material properties, and many useful diagnostic techniques do require absolute measurements. Thus, it is important to understand what happens at the reflective surface of shock experiments, and the effect scattering has on the light collection of optical probes. To this end, we present results from experiments done to observe the behavior of a reflected beam from a specular coating on an optical window during shock impact. We find that the specular condition of the coating is adversely affected by the shock front, but this can be mitigated by minimizing roughness on the surface preceding the coating.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

X-ray source characterization and sample heating on x-ray diffraction experiments at the National Ignition Facility

X-ray diffraction is a powerful measurement technique for determining material properties, and it is now possible to perform these experiments at pressures exceeding 1 TPa [Rygg et al., Rev. Sci. Instrum. 91, 043902 (2020)] at the National Ignition Facility (NIF). The x-ray source for these experiments is the quasi-monochromatic Heα emission from metal foils heated to multi-keV temperatures. A critical aspect for understanding the sample's thermodynamic state is the amount of heating caused by absorption of the probe x-rays. In this work, we characterize the performance of the Ge foil x-ray source over more than 60 NIF x-ray diffraction experiments. We use this information to constrain the level of diffraction sample heating from the x-ray source and discuss the impact on the thermodynamic state.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

IDENTIFYING IONIZED REGIONS IN NOISY REDSHIFTED 21 cm DATA SETS

One of the most promising approaches for studying reionization is to use the redshifted 21 cm line. Early generations of redshifted 21 cm surveys will not, however, have the sensitivity to make detailed maps of the reionization process, and will instead focus on statistical measurements. Here, we show that it may nonetheless be possible to directly identify ionized regions in upcoming data sets by applying suitable filters to the noisy data. The locations of prominent minima in the filtered data correspond well with the positions of ionized regions. In particular, we corrupt semi-numeric simulations of the redshifted 21 cm signal during reionization with thermal noise at the level expected for a 500 antenna tile version of the Murchison Widefield Array (MWA), and mimic the degrading effects of foreground cleaning. Using a matched filter technique, we find that the MWA should be able to directly identify ionized regions despite the large thermal noise. In a plausible fiducial model in which {approx}20% of the volume of the universe is neutral at z {approx} 7, we find that a 500-tile MWA may directly identify as many as {approx}150 ionized regions in a 6 MHz portion of its survey volume and roughly determine the size of each of these regions. This may, in turn, allow interesting multi-wavelength follow-up observations, comparing galaxy properties inside and outside of ionized regions. We discuss how the optimal configuration of radio antenna tiles for detecting ionized regions with a matched filter technique differs from the optimal design for measuring power spectra. These considerations have potentially important implications for the design of future redshifted 21 cm surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

CONNECTING THE SUN'S HIGH-RESOLUTION MAGNETIC CARPET TO THE TURBULENT HELIOSPHERE

The solar wind is connected to the Sun's atmosphere by flux tubes that are rooted in an ever-changing pattern of positive and negative magnetic polarities on the surface. Observations indicate that the magnetic field is filamentary and intermittent across a wide range of spatial scales. However, we do not know to what extent the complex flux-tube topology seen near the Sun survives as the wind expands into interplanetary space. In order to study the possible long-distance connections between the corona and the heliosphere, we developed new models of turbulence-driven solar wind acceleration along empirically constrained field lines. We used a potential field model of the quiet Sun to trace field lines into the ecliptic plane with unprecedented spatial resolution at their footpoints. For each flux tube, a one-dimensional model was created with an existing wave/turbulence code that solves equations of mass, momentum, and energy conservation from the photosphere to 4 AU. To take account of stream-stream interactions between flux tubes, we used those models as inner boundary conditions for a time-steady magnetohydrodynamic description of radial and longitudinal structure in the ecliptic. Corotating stream interactions smear out much of the smallest-scale variability, making it difficult to see how individual flux tubes on granular or supergranular scales can survive out to 1 AU. However, our models help clarify the level of ''background'' variability with which waves and turbulent eddies should be expected to interact. Also, the modeled fluctuations in magnetic field magnitude were seen to match measured power spectra quite well.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

THE PRECISION AND ACCURACY OF EARLY EPOCH OF REIONIZATION FOREGROUND MODELS: COMPARING MWA AND PAPER 32-ANTENNA SOURCE CATALOGS

As observations of the Epoch of Reionization (EoR) in redshifted 21 cm emission begin, we assess the accuracy of the early catalog results from the Precision Array for Probing the Epoch of Reionization (PAPER) and the Murchison Wide-field Array (MWA). The MWA EoR approach derives much of its sensitivity from subtracting foregrounds to <1% precision, while the PAPER approach relies on the stability and symmetry of the primary beam. Both require an accurate flux calibration to set the amplitude of the measured power spectrum. The two instruments are very similar in resolution, sensitivity, sky coverage, and spectral range and have produced catalogs from nearly contemporaneous data. We use a Bayesian Markov Chain Monte Carlo fitting method to estimate that the two instruments are on the same flux scale to within 20% and find that the images are mostly in good agreement. We then investigate the source of the errors by comparing two overlapping MWA facets where we find that the differences are primarily related to an inaccurate model of the primary beam but also correlated errors in bright sources due to CLEAN. We conclude with suggestions for mitigating and better characterizing these effects.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

ADDING CONTEXT TO JAMES WEBB SPACE TELESCOPE SURVEYS WITH CURRENT AND FUTURE 21 cm RADIO OBSERVATIONS

Infrared and radio observations of the Epoch of Reionization promise to revolutionize our understanding of the cosmic dawn, and major efforts with the JWST, MWA, and HERA are underway. While measurements of the ionizing sources with infrared telescopes and the effect of these sources on the intergalactic medium with radio telescopes should be complementary, to date the wildly disparate angular resolutions and survey speeds have made connecting proposed observations difficult. In this paper we develop a method to bridge the gap between radio and infrared studies. While the radio images may not have the sensitivity and resolution to identify individual bubbles with high fidelity, by leveraging knowledge of the measured power spectrum we are able to separate regions that are likely ionized from largely neutral, providing context for the JWST observations of galaxy counts and properties in each. By providing the ionization context for infrared galaxy observations, this method can significantly enhance the science returns of JWST and other infrared observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Uncertainty in the visibility mask of a survey and its effects on the clustering of biased tracers

The forecasted accuracy of upcoming surveys of large-scale structure cannot be achieved without a proper quantification of the error induced by foreground removal (or other systematics like 0-point photometry offset). Because these errors are highly correlated on the sky, their influence is expected to be especially important at very large scales, at and beyond the first Baryonic Acoustic Oscillation (BAO). In this work we quantify how the uncertainty in the visibility mask of a survey, that gives the survey depth in a specific sky area, influences the measured power spectrum of a sample of tracers of the density field and its covariance matrix. We start from a very large set of 10,000 catalogs of dark matter (DM) halos in periodic cosmological boxes, produced with the PINOCCHIO approximate method. To make an analytic approach feasible, we assume luminosity-independent halo bias and an idealized geometry for the visibility mask, that is constant in square tiles of physical length l ; this should be interpreted as the projection, at the observation redshift, of the angular correlation scale of the foreground residuals. We find that the power spectrum of these biased tracers can be expressed as the sum of a cosmological term, a mask term and a term involving their convolution. The mask and convolution terms scale like P ∝ l {sup 2}σ {sub A} {sup 2}, where σ {sub A} {sup 2} is the variance of the uncertainty on the visibility mask. With l = 30−100 Mpc/ h and σ {sub A} = 5−20%, the mask term can be significant at k ∼ 0.01−0.1 h /Mpc, and the convolution term can amount to ∼ 1−10% of the total. The influence of mask uncertainty on power spectrum covariance is more complicated: the coupling of the convolution term with the other two gives rise to several mixed terms, that we quantify by difference using the mock catalogs. These are found to be of the same order of the mask covariance, and to introduce non-diagonal terms at large scales. As a consequence, the power spectrum covariance matrix cannot be expressed as the sum of a cosmological and of a mask term. More realistic settings (realistic foregrounds, luminosity-dependent bias) make the analytical approach not feasible, and the problem requires on the one hand usage of extended sets of mock catalogs, on the other hand detailed knowledge of the correlations among errors in the visibility masks. Our results lie down the theoretical bases to quantify the impact that uncertainties in the mask calibration have on the derivation of cosmological constraints from large spectroscopic surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Selecting samples of galaxies with fewer Fingers-of-God

The radial positions of galaxies inferred from their measured redshift appear distorted due to their peculiar velocities. We argue that the contribution from stochastic velocities — which gives rise to `Fingers-of-God' (FoG) anisotropy in the inferred maps — does not lend itself to perturbative modelling already on scales targeted by current experiments. To get around this limitation, we propose to remove FoG using data-driven indicators of their abundance that are local in nature and thus avoid selection biases. In particular, we show that the scale where the measured power spectrum quadrupole changes sign is tightly anti-correlated with both the satellite fraction and the velocity dispersion, and can thus be used to select galaxy samples with fewer FoG. In addition, we show that excluding galaxies in haloes more massive than a given mass threshold can help to discard many of the most problematic galaxies. Such selection could be achieved in practice using maps of the thermal Sunyaev-Zel'dovich distortion of the cosmic microwave background frequency spectrum. These techniques could potentially improve reconstructions of the large-scale velocity and displacement fields from the redshift-space positions of galaxies. They may also extend the reach of perturbative models for galaxy clustering, though in practice we find only marginal gains when fitting one-loop EFTofLSS models to simulations with mitigated FoG due to the relevance of other effects entering at two-loop order.

cosmological parameters from LSS↗