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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 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Spectroscopic Analysis of Pu-bearing Compounds in Double-Walled Cells

Spectroscopic analysis of radiological materials has been historically limited to radiological labs with 11 older or less advanced scientific instrumentation. The development of double-walled cells (DWCs) at 12 the Savannah River National Laboratory (SRNL) has enabled Pu-bearing compounds to be removed 13 from radiological laboratories and studied in our radiologically clean spectroscopy lab with state-of14 the-art instrumentation. In this manuscript, we discuss the contributions of DWCs that have allowed 15 the application of Raman spectroscopy, diffuse reflectance infrared Fourier transform spectroscopy 16 (DRIFTS), diffuse reflectance spectroscopy (DRS) in the shortwave infrared, and gamma 17 spectroscopy at SRNL. Significant advances have been made in the understanding of thermal 18 decomposition of Pu(III) and Pu(IV) oxalates, the alpha-induced damage to the PuO2 crystal lattice, 19 and the effect of calcination temperatures to the quality of PuO2. These techniques have enabled 20 methods to conduct PuO2 age dating since last calcination and estimate the calcination temperature 21 with Raman and DRS. Additional spectroscopic information measured with DRIFTS has provided a 22 path to observe the evolution of carbon species with calcination temperature while gamma 23 spectroscopy provides information on age dating since last purification.

Villa-Aleman, Eliel↗
DOE OSTI2015

THE HYPERFINE STRUCTURE OF THE ROTATIONAL SPECTRUM OF HDO AND ITS EXTENSION TO THE THz REGION: ACCURATE REST FREQUENCIES AND SPECTROSCOPIC PARAMETERS FOR ASTROPHYSICAL OBSERVATIONS

The rotational spectrum of the mono-deuterated isotopologue of water, HD{sup 16}O, has been investigated in the millimeter- and submillimeter-wave frequency regions, up to 1.6 THz. The Lamb-dip technique has been exploited to obtain sub-Doppler resolution and to resolve the hyperfine (hf) structure due to the deuterium and hydrogen nuclei, thus enabling the accurate determination of the corresponding hf parameters. Their experimental determination has been supported by high-level quantum-chemical calculations. The Lamb-dip measurements have been supplemented by Doppler-limited measurements (weak high-J and high-frequency transitions) in order to extend the predictive capability of the available spectroscopic constants. The possibility of resolving hf splittings in astronomical spectra has been discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Generalized Ellipsometry Measurements of Crystalline Thin Film and Bulk Tin Oxide

Here, several bulk and thin-film crystals of SnO2 are grown and examined using generalized ellipsometry techniques. The bulk samples are grown using the chemical vapor transport technique and thin films of SnO2 are grown using the pulsed laser deposition technique. The bulk samples are examined using the two-modulator generalized ellipsometry microscope (2-MGEM) at normal incidence and the spectroscopic two-modulator generalized ellipsometer (2-MGE). The spectroscopic optical functions of tin oxide are then obtained using the 2-MGE from 1.46 to 6.2 eV. The material is highly birefringent, and the ordinary bandgap is less than the extraordinary band edge. 2-MGE measurements are also made on thin-film samples of crystalline tin oxide grown on sapphire and rutile, showing no cross polarization. Because of the complicated morphology of the tin oxide films grown on sapphire, the ellipsometry data are simulated using the Tauc–Lorentz model. Films grown on rutile had the optic axis perpendicular to the sample surface, but the film is strained, resulting in a more complicated ellipsometric spectrum. These films are modeled using the air/surface roughness/tin oxide/interface/rutile model, where the roughness and interface are modeled using the incomplete Beta function.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Spectroscopic studies of Sm3+ ions doped alkaline-earth chloro borate glasses for visible photonic applications

Highlights: • AECB glasses doped with Sm{sup 3+} ions were synthesized by melt quenching technique. • Bonding parameters reveal bonding nature between Sm-Oxygen as ionic. • Energy transfer leads to shrink in experimental decay times of Sm{sup 3+} ions. • AECB{sub 0}.5Sm glass is apt for designing reddish orange optoelectronic devices. - Abstract: A new series of Sm{sup 3+} ions doped Alkaline-Earth Chloro Borate (AECB) glasses with compositions (25-x)CaO-5SrO-10BaCl{sub 2}-60B{sub 2}O{sub 3}-xSm{sub 2}O{sub 3} (x = 0.1 mol%–2.5 mol%) were prepared by a conventional melt quenching technique and characterized with XRD, absorption, excitation, photoluminescence (PL) and fluorescence decay spectral measurements. From the absorption spectra, Judd-Ofelt (J-O) intensity parameters (Ω{sub 2}, Ω{sub 4}, Ω{sub 6}) have been measured. The PL spectra under 402 nm excitation show bright reddish-orange emission at 602 nm. The decay spectral profiles of {sup 4}G{sub 5/2} → {sup 6}H{sub 7/2} (602 nm) luminescence transition used to measure experimental lifetimes (τ{sub R}). The Inokuti-Hirayama model used to understand the predominant energy transfer mechanism involved in the prepared glasses. The evaluated emission cross-sections (σ{sub se}), branching ratios (β{sub R}) and quantum efficiency (η) allows us to contemplate that the Sm{sup 3+} ions doped AECB glasses are aptly suitable as potential gain mediums for visible reddish orange lasers pumped directly by commercially available 405 nm laser diodes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Dynamic restructuring of supported metal nanoparticles and its implications for structure insensitive catalysis

Some fundamental concepts of catalysis are not fully explained but are of paramount importance for the development of improved catalysts. An example is the concept of structure insensitive reactions, where surface-normalized activity does not change with catalyst metal particle size. Here we explore this concept and its relation to surface reconstruction on a set of silica-supported Ni metal nanoparticles (mean particle sizes 1–6 nm) by spectroscopically discerning a structure sensitive (CO 2 hydrogenation) from a structure insensitive (ethene hydrogenation) reaction. Using state-of-the-art techniques, inter alia in-situ STEM, and quick-X-ray absorption spectroscopy with sub-second time resolution, we have observed particle-size-dependent effects like restructuring which increases with increasing particle size, and faster restructuring for larger particle sizes during ethene hydrogenation while for CO 2 no such restructuring effects were observed. Furthermore, a degree of restructuring is irreversible, and we also show that the rate of carbon diffusion on, and into nanoparticles increases with particle size. We finally show that these particle size-dependent effects induced by ethene hydrogenation, can make a structure sensitive reaction (CO 2 hydrogenation), structure insensitive. We thus postulate that structure insensitive reactions are actually apparently structure insensitive, which changes our fundamental understanding of the empirical observation of structure insensitivity.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Persistent and partially mobile oxygen vacancies in Li-rich layered oxides

Increasing the energy density of layered oxide battery electrodes is challenging as accessing high states of delithiation often triggers voltage degradation and oxygen release. Here we utilize transmission-based X-ray absorption spectromicroscopy and ptychography on mechanically cross-sectioned Li 1.18–x Ni 0.21 Mn 0.53 Co 0.08 O 2–δ electrodes to quantitatively profile the oxygen deficiency over cycling at the nanoscale. The oxygen deficiency penetrates into the bulk of individual primary particles (~200 nm) and is well-described by oxygen vacancy diffusion. Using an array of characterization techniques, we demonstrate that, surprisingly, bulk oxygen vacancies that persist within the native layered phase are indeed responsible for the observed spectroscopic changes. We additionally show that the arrangement of primary particles within secondary particles (~5 μm) causes considerable heterogeneity in the extent of oxygen release between primary particles. Finally, our work merges an ensemble of length-spanning characterization methods and informs promising approaches to mitigate the deleterious effects of oxygen release in lithium-ion battery electrodes.

25 ENERGY STORAGE↗
DOE OSTI2025

Forecast for a growth-rate measurement using peculiar velocities from LSST supernovae

We investigate whether the cosmic growth-rate parameter fσ 8 can be measured using peculiar velocities (PVs) derived from type Ia supernovae (SNe Ia) in the Vera C. Rubin Observatory’s Legacy Survey of Space and Time (LSST). We produced simulations of different SN types using a realistic LSST observing strategy that incorporated noise, a photometric detection from the difference-image analysis (DIA) pipeline, and a PV field modeled from the Uchuu universe machine simulations. We tested three different observational scenarios that ranged from ideal conditions with spectroscopic host galaxy redshifts and spectroscopic SN typing to realistic photometric typing that resulted in a contamination with non-Ia SNe. Using a maximum likelihood technique, we showed that the LSST can measure fσ 8 with a precision of 10% in the redshift range 0.02 < z < 0.14 for our most realistic scenario. In three tomographic bins, the LSST will be able to constrain the growth-rate parameter with errors below 18% up to redshift z = 0.14. We also tested the contamination effect on the maximum likelihood method and found that for a contamination fraction below ∼2%, we recovered unbiased measurements. The results of this analysis highlight that the LSST SN sample is expected to complement traditional redshift-space distortion measurements at high redshift. This will provide a novel avenue for testing general relativity and different dark energy models.

Rosselli, D↗
DOE OSTI2017

Spectroscopic and theoretical studies of ThCl and ThCl +

In this paper, the electronic structures of ThCl and ThCl + have been examined using laser induced fluorescence and two-photon ionization techniques. Rotationally resolved spectra, combined with the predictions from relativistic electronic structure calculations, show that the ground state of the neutral molecule is Th + (7s 2 6d)Cl - , X 2 Δ 3 / 2 . Dispersed fluorescence spectra for ThCl revealed the ground state vibrational levels v = 0-10 and low energy electronic states that also originate from the atomic ion 7s 2 6d configuration. Pulsed field ionization—zero kinetic energy photoelectron spectroscopy established an ionization energy (IE) for ThCl of 51 344(5) cm -1 , and the ThCl + vibrational term energies of the v = 1-3 levels. The zero-point level of the first electronically excited state was found at 949(2) cm -1 . Comparisons with high-level theoretical results indicate that the ground and excited states are Th 2+ (7s6d)Cl - X 3 Δ 1 and Th 2+ (7s 2 )Cl - Σ + 1 , respectively. Finally, relativistic coupled cluster composite thermochemistry calculations yielded an IE within 1.2 kcal/mol of experiment and a bond dissociation energy (118.3 kcal/mol) in perfect agreement with previous experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Carrier recombination and diffusion in high-purity diamond after electron irradiation and annealing

Carrier-transport mechanisms are studied in high-purity diamond irradiated with 6 MeV electrons in the dose range of 10 12 –10 16 cm -2 and annealed at different temperatures up to 1450°C. Lifetimes and diffusion coefficients are extracted using two pump–probe techniques based on free-carrier absorption and transient-grating principles and then correlated with the corresponding defect evolution from spectroscopic measurements. Furthermore, the neutral monovacancy is revealed as the main carrier recombination center in the as-irradiated diamond, providing bipolar carrier lifetimes of a few nanoseconds at the highest irradiation dose. Carrier-capture cross sections are reduced during annealing as vacancies aggregate into divacancies at ≤1000°C and extended vacancy clusters at 1450°C.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

A SPECTROSCOPIC AND PHOTOMETRIC EXPLORATION OF THE C/M RATIO IN THE DISK OF M31

We explore the ratio (C/M) of carbon-rich to oxygen-rich thermally pulsing asymptotic giant branch (TP-AGB) stars in the disk of M31 using a combination of moderate-resolution optical spectroscopy from the Spectroscopic Landscape of Andromeda’s Stellar Halo survey and six-filter Hubble Space Telescope photometry from the Panchromatic Hubble Andromeda Treasury survey. Carbon stars were identified spectroscopically. Oxygen-rich M-stars were identified using three different photometric definitions designed to mimic, and thus evaluate, selection techniques common in the literature. We calculate the C/M ratio as a function of galactocentric radius, present-day gas-phase oxygen abundance, stellar metallicity, age (via proxy defined as the ratio of TP-AGB stars to red giant branch, stars), and mean star formation rate over the last 400 Myr. We find statistically significant correlations between log(C/M) and all parameters. These trends are consistent across different M-star selection methods, though the fiducial values change. Of particular note is our observed relationship between log(C/M) and stellar metallicity, which is fully consistent with the trend seen across Local Group satellite galaxies. The fact that this trend persists in stellar populations with very different star formation histories indicates that the C/M ratio is governed by stellar properties alone.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

MAPPING THE GALAXY COLOR–REDSHIFT RELATION: OPTIMAL PHOTOMETRIC REDSHIFT CALIBRATION STRATEGIES FOR COSMOLOGY SURVEYS

Calibrating the photometric redshifts of ≳10{sup 9} galaxies for upcoming weak lensing cosmology experiments is a major challenge for the astrophysics community. The path to obtaining the required spectroscopic redshifts for training and calibration is daunting, given the anticipated depths of the surveys and the difficulty in obtaining secure redshifts for some faint galaxy populations. Here we present an analysis of the problem based on the self-organizing map, a method of mapping the distribution of data in a high-dimensional space and projecting it onto a lower-dimensional representation. We apply this method to existing photometric data from the COSMOS survey selected to approximate the anticipated Euclid weak lensing sample, enabling us to robustly map the empirical distribution of galaxies in the multidimensional color space defined by the expected Euclid filters. Mapping this multicolor distribution lets us determine where—in galaxy color space—redshifts from current spectroscopic surveys exist and where they are systematically missing. Crucially, the method lets us determine whether a spectroscopic training sample is representative of the full photometric space occupied by the galaxies in a survey. We explore optimal sampling techniques and estimate the additional spectroscopy needed to map out the color–redshift relation, finding that sampling the galaxy distribution in color space in a systematic way can efficiently meet the calibration requirements. While the analysis presented here focuses on the Euclid survey, similar analysis can be applied to other surveys facing the same calibration challenge, such as DES, LSST, and WFIRST.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Seedless nonresonant gas-flow velocimetry with single-shot coherent Rayleigh-Brillouin scattering

We demonstrate neutral gas-flow velocimetry by exploiting the optical dipole forces exerted by precisely tailored high-intensity laser fields on polarizable particles, in the form of single-shot coherent Rayleigh-Brillouin scattering (CRBS). This enables mapping of the velocity distribution function of the particles in a single laser shot of approximately 200 ns duration, allowing us to perform spectroscopic measurements in the time, rather than the frequency, domain. Importantly, CRBS results in a coherent signal beam, which renders the technique ideal for measurements in optically noisy environments. By correlating the time shift of the resulting spectrum to the Doppler shift caused by the bulk motion of particles, we perform neutral gas-flow velocimetry without the need to seed the flow, nondestructively, for a variety of gases, atomic or molecular. We demonstrate gas-flow velocimetry at flow velocities as low as 1 m ⁢s −1 , with similar velocity resolution, while temperature and gas density can also be estimated from the same single-shot spectra. To prove the effectiveness of the measurement technique, we benchmark it against Pitot tube measurements, which show excellent agreement.

Gerakis, Alexandros [Luxembourg Institute of Scien↗
DOE OSTI2013

X-ray diffraction, spectroscopic and DFT studies of 1-(4-bromophenyl)-3,5-diphenylformazan

The crystal structure of 1-(4-bromophenyl)-3,5-diphenylformazan was determined by X-ray single crystal diffraction technique. The crystals are orthorhombic, a = 23.0788(9), b = 7.9606(3), c = 18.6340(12) Å, Z = 8, sp. gr. Pbca, R{sub 1} = 0.074. The structure was also examined using the density-functional theory. Its structure stability, and frontier molecular orbital components were discussed and the results were compared with X-ray and spectral results. The maximum absorbtion peaks of the UV-vis spectrum of the compound have been calculated using the time-dependent density-functional theory. It was found a good agreement between the calculated and experimental maximum absorption wavelength.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Primary Velocity and Orbital Phase Effects on Planetary Detectability from Small Epoch Number Data Sets

Cross-correlation analyses of high-resolution spectroscopic data have recently shown great success in directly detecting planetary signals and enabling the characterization of their atmospheres. One such technique aims to observe a system at multiple epochs and combine the measured planetary radial velocities from each epoch into a measurement of the planetary Keplerian orbital velocity K {sub p}, constituting a direct detection of the planetary signal. Recent work has shown that in few-epoch (∼5) data sets, unintended structure can arise at a high level, obscuring the planetary detection. In this work, we look to simulations to examine whether there are ways to reduce this structured noise in few-epoch data sets by careful planning of observations. The choice of observation date allows observers to select the primary (stellar) velocity through a set systemic velocity and chosen barycentric velocity and the planetary orbital phase so we focus on the effects of these two parameters. We find that epochs taken when the primary velocity is near zero and the stellar lines remain relatively fixed to the telluric rest-frame greatly reduce the level of structured noise and allow for much stronger planetary detections, on average more than twice the significance of detections made with epochs using randomly selected primary velocities. Following these results, we recommend that observers looking to build up high-resolution multi-epoch data sets target nights when their system has a near-zero primary velocity.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

The Kinematically Hot, Extremely Metal-poor C-19 Stellar Stream in DESI DR2

Stellar streams are the result of a host galaxy’s gravitational potential tidally disrupting satellite dwarf galaxies and globular clusters (GCs), causing them to grow leading and trailing tidal tails. The C-19 stellar stream is an extremely metal-poor stellar population, showing chemical abundance patterns characteristic of a GC. However, its large velocity dispersion is difficult to reconcile with a conventional, purely baryonic, disrupting-GC progenitor. Current techniques for stream characterization are primarily applied to Gaia DR3, relying heavily on proper-motion measurements. Using the Dark Energy Spectroscopic Instrument (DESI), which provides radial velocities and metallicities for over 10 million stars and reaches significantly fainter magnitudes than comparable surveys, we employ a mixture model approach to jointly characterize stream populations in proper motions, radial velocities, and metallicities against a Milky Way halo background. By applying this framework to the C-19 stellar stream, we identify a total of 47 spectroscopically confirmed member stars, of which 41 are newly identified and only 6 were previously reported in the literature. In this work, we measure a velocity dispersion of $7.8^{+1.5}_{-1.3}$km s −1 and a mean metallicity of [Fe/H] = $-3.36^{+0.12}_{-0.10}$. We further identify a novel “spur” feature within the stream. We conclude that our measurements are in line with previous works identifying C-19 as a “hot,” metal-poor stream. In forthcoming work, we will apply this approach to many more streams in the DESI footprint, enabling population-level comparisons with predictions from simulations.

Mohammed, Nasser [University of Toronto; Dunlap In↗
NASA NTRS1976

The calibration of photographic and spectrographic films

Certain techniques and procedures are developed and evaluated for the ascertainment of the relative spectral-photometric characteristics of standard and special spectroscopic films and plates in the visible and UV regions. These films are used in ground based and rocket launched instruments. Two photographic spectral sensitometers were developed. One instrument is a vacuum sensitometer covering a range of 1,000 to 3,000 Angstroms and the other sensitometer is the device this investigator used to study its spectral responses in the visible region of the spectrum through the utilization of a computer microdensitometric and photometric plot and contour routines.

Hammond, E. C., Jr.↗
NASA NTRS1981

Observations of faint Haro galaxies

Spectroscopic and photometric data for 23 faint-compact UV-excess galaxy candidates, found by Haro's three-color technique (1956), are presented. Eighteen were found to be emission-line galaxies (magnitudes between 14.4 and 17.9) with redshifts in the range of 1670 to 39,450 km/s; the remaining five appear to be stars. The apparent compactness of the galaxy images is a result of the finite resolution of the Survey plates. Faint Haro galaxies are not distinguishable from the original Haro galaxies in surface brightness or in their range of color and absolute magnitude. The Haro galaxies correspond to roughly two-thirds of Huchra's non-Seyfert Markarian galaxies (1977 a) which have the most negative (U-B) index; the new Haro galaxies have the same V magnitude growth with aperture, the same (B-V) aperture relation, and the same mean surface brightness as the Markarian galaxies.

Kinman, T. D.↗
NASA NTRS1982

Optogalvanic wavelength calibration for laser monitoring of reactive atmospheric species

Laser-based techniques have been successfully employed for monitoring atmospheric species of importance to stratospheric ozone chemistry or tropospheric air quality control. When spectroscopic methods using tunable lasers are used, a simultaneously recorded reference spectrum is required for wavelength calibration. For stable species this is readily achieved by incorporating into the sensing instrument a reference cell containing the species to be monitored. However, when the species of interest is short-lived, this approach is unsuitable. It is proposed that wavelength calibration for short-lived species may be achieved by generating the species of interest in an electrical or RF discharge and using optogalvanic detection as a simple, sensitive, and reliable means of recording calibration spectra. The wide applicability of this method is emphasized. Ultraviolet, visible, or infrared lasers, either CW or pulsed, may be used in aircraft, balloon, or shuttle experiments for sensing atoms, molecules, radicals, or ions.

Webster, C. R.↗