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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

Effects of darkening processes on surfaces of airless bodies

We find the lunar darkening process could be due neither to simple addition of impact-melted glass nor to addition of devitrified glass to crushed lunar rock. There is evidence that lunar soil grains have thin, very light-absorbing coatings that mask absorption bands, seen in the reflection spectra of freshly crushed lunar rock, in the same manner as they are masked in the spectra of lunar soils. We believe the processes that produce these coatings are (1) deposition of atoms sputtered from lunar soil grains by solar wind particles and (2) deposition of vapor species vaporized from lunar soil grains by micrometeoritic impacts. We describe an apparent new type of fractionation that occurs during deposition of sputtered atoms. This fractionation favors retention of higher mass atoms over lower mass atoms, and appears to be a linear function of mass.

Cassidy, W.↗
NASA NTRS1982

Prediction of molecular infrared band and line intensities

The general problem of predicting infrared intensities is examined. The problem of predicting line intensities is discussed with attention focussed specifically on the problem of predicting vibrational strengths (or total band intensities). Two methods are considered: predictions based on ab initio quantum mechanical calculations, and predictions based on the transfer of atomic polar tensor parameters from small model molecules to the molecule of interest. Comparisons of predicted spectra with experimental spectra are shown for CH3OH, CH3OCH3, C2H5OH, and HOC2. It is suggested that the most important application of this work may be to the prediction of intensities for free radicals, ions, and reactive intermediates so that the infrared spectrum can be used in the quantitative analysis for these interesting species.

Person, W. B.↗
NASA NTRS1987

Infrared emission from interstellar PAHs

The mid-IR absorption and Raman spectra of polycyclic aromatic hydrocarbons (PAHs) and the mechanisms determining them are reviewed, and the implications for observations of similar emission spectra in interstellar clouds are considered. Topics addressed include the relationship between PAHs and amorphous C, the vibrational spectroscopy of PAHs, the molecular emission process, molecular anharmonicity, and the vibrational quasi-continuum. Extensive graphs, diagrams, and sample spectra are provided, and the interstellar emission bands are attributed to PAHs with 20-30 C atoms on the basis of the observed 3.3/3.4-micron intensity ratios.

Allamandola, L. J.↗
NASA NTRS1993

Optical probing of cold trapped atoms

Transitions between excited states of laser-cooled and laser-trapped rubidium and cesium atoms are probed by use of fiber and diode lasers. High-resolution Doppler-free spectra are detected by observation of the absorption and fluorescence of light from the intermediate level of two-step cascade systems. The optical double-resonance spectra show Autler-Townes splitting in the weak probe limit and more complicated spectra for a strongly coupled three-level system.

Fox, R. W.↗
NASA NTRS2013

Photoionization Modeling of Oxygen K Absorption in the Interstellar Medium:

We present detailed analyses of oxygen K absorption in the interstellar medium (ISM) using four high-resolution Chandra spectra toward the X-ray low-mass binary XTE J1817-330. The 11-25 Angstrom broadband is described with a simple absorption model that takes into account the pile-up effect and results in an estimate of the hydrogen column density. The oxygen K-edge region (21-25 Angstroms) is fitted with the physical warmabs model, which is based on a photoionization model grid generated with the xstar code with the most up-to-date atomic database. This approach allows a benchmark of the atomic data which involves wavelength shifts of both the K lines and photoionization cross sections in order to fit the observed spectra accurately. As a result we obtain a column density of N(sub H) = 1.38 +/- 0.01 × 10(exp 21) cm(exp −2); an ionization parameter of log xi = −2.70 +/- 0.023; an oxygen abundance of A(sub O) = 0.689 (+0.015/−0.010); and ionization fractions of O(sub I)/O = 0.911, O(sub II)/O = 0.077, and O(sub III)/O = 0.012 that are in good agreement with results from previous studies. Since the oxygen abundance in warmabs is given relative to the solar standard of Grevesse & Sauval, a rescaling with the revision by Asplund et al. yields A(sub O) = 0.952(+0.020/−0.013), a value close to solar that reinforces the new standard.We identify several atomic absorption lines-K(alpha), K(beta), and K(gamma) in O(sub I) and O(sub II) and K(alpha) in O(sub III), O(sub VI), and O(sub VII)-the last two probably residing in the neighborhood of the source rather than in the ISM. This is the first firm detection of oxygen K resonances with principal quantum numbers n greater than 2 associated with ISM cold absorption.

oxygen↗
NASA NTRS1997

A Comprehensive Opacities/Atomic Database for the Analysis of Astrophysical Spectra and Modeling

The main goals of this ADP award have been accomplished. The electronic database TOPBASE, consisting of the large volume of atomic data from the Opacity Project, has been installed and is operative at a NASA site at the Laboratory for High Energy Astrophysics Science Research Center (HEASRC) at the Goddard Space Flight Center. The database will be continually maintained and updated by the PI and collaborators. TOPBASE is publicly accessible from IP: topbase.gsfc.nasa.gov. During the last six months (since the previous progress report), considerable work has been carried out to: (1) put in the new data for low ionization stages of iron: Fe I - V, beginning with Fe II, (2) high-energy photoionization cross sections computed by Dr. Hong Lin Zhang (consultant on the Project) were 'merged' with the current Opacity Project data and input into TOPbase; (3) plans laid out for a further extension of TOPbase to include TIPbase, the database for collisional data to complement the radiative data in TOPbase.

Pradhan, Anil K.↗
NASA NTRS2017

Characterizing Exoplanet Atmospheres with the James Webb Space Telescope

The James Webb Space Telescope (JWST) will have numerous modes for acquiring photometry and spectra of stars, planets, galaxies, and other astronomical objects over wavelengths of 0.6 - 28 microns. Several of these modes are well-suited for observing atomic and molecular features in the atmospheres of transiting or spatially resolved exoplanets. I will present basic information on JWST capabilities, highlight modes that are well-suited for observing exoplanets, and give examples of what may be learned from JWST observations. This will include simulated spectra and expected retrieved chemical abundance, composition, equilibrium, and thermal information and uncertainties. JWST Cycle 1 general observer proposals are expected to be due in March 2018 with launch in October 2018, and the greater scientific community is encouraged to propose investigations to study exoplanet atmospheres and other topics.

space telescopes↗
NASA NTRS2023

Mitigating Space Radiation Using Magnesium(-Lithium) and Boron Carbide Composites

The health effects of galactic cosmic radiation are a serious impediment to crewed exploration of the solar system. OLTARIS, an interface for the 3DHZETRN deterministic radiation transport code, was used to assess the response of aerospace materials to this constant radiation exposure. Traditional aerospace structural materials like aluminum can, after a certain mass, increase the health effects of such radiation. However, materials with lower atomic mass may mitigate this build-up in secondary radiation with increasing areal density. As such, lower atomic mass structural alloys of magnesium and magnesium–lithium are promising candidates. These alloys may reduce the mass of structures when substituted for aluminum alloys. Reinforcement with boron carbide could further reduce atomic mass while also improving the mechanical properties of such lightweight alloys. This study found that the lower atomic mass of these materials increased nuclear fragmentation upon cosmic radiation interactions, leading to a softening of the secondary (neutron) radiation spectra. This softened spectra reduced the effective dose equivalent, a measure of health effects, for magnesium(-lithium) alloys and their boron carbide-reinforced composites when compared to aluminum.

Galactic cosmic radiation↗
NASA NTRS2013

X-ray Reflected Spectra from Accretion Disk Models. III. A Complete Grid of Ionized Reflection Calculations

We present a new and complete library of synthetic spectra for modeling the component of emission that is reflected from an illuminated accretion disk. The spectra were computed using an updated version of our code xillver that incorporates new routines and a richer atomic data base. We offer in the form of a table model an extensive grid of reflection models that cover a wide range of parameters. Each individual model is characterized by the photon index Gamma of the illuminating radiation, the ionization parameter zeta at the surface of the disk (i.e., the ratio of the X-ray flux to the gas density), and the iron abundance A(sub Fe) relative to the solar value. The ranges of the parameters covered are: 1.2 <= Gamma <= 3.4, 1 <= zeta <= 104, and 0.5 <= A(sub Fe) <= 10. These ranges capture the physical conditions typically inferred from observations of active galactic nuclei, and also stellar-mass black holes in the hard state. This library is intended for use when the thermal disk flux is faint compared to the incident power-law flux. The models are expected to provide an accurate description of the Fe K emission line, which is the crucial spectral feature used to measure black hole spin. A total of 720 reflection spectra are provided in a single FITS file suitable for the analysis of X-ray observations via the atable model in xspec. Detailed comparisons with previous reflection models illustrate the improvements incorporated in this version of xillver.

X-ray↗
DOE OSTI2021

The APOGEE Data Release 16 Spectral Line List

The updated H-band spectral-line list (from λ15000–17000) adopted by the Apache Point Observatory Galactic Evolution Experiment (APOGEE) for the SDSS-IV Data Release 16 (DR16) is presented in this work. The APOGEE line list is a combination of atomic and molecular lines, with data drawn from laboratory, theoretical, and astrophysical sources. Oscillator strengths and damping constants are adjusted using high signal-to-noise, high-resolution spectra of the Sun, and α Boo (Arcturus), as “standard stars.” Updates to the DR16 line list, as compared to the previous DR14 version, include the addition of molecular H{sub 2}O and FeH lines, as well as a much larger (by a factor of ∼4) atomic line list, including a significantly greater number of transitions with hyperfine splitting. More recent references and line lists for the crucial molecules, CO and OH, as well as for C{sub 2} and SiH, are also included. In contrast to DR14, DR16 contains measurable lines from the heavy neutron-capture elements cerium (as Ce ii), neodymium (as Nd ii), and ytterbium (as Yb ii), as well as one line from rubidium (as Rb i), which may be detectable in a small fraction of APOGEE red giants.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1989

Nitrogen abundances from UV lines of HgMn and standard late-B stars

A recent survey by Roby (1987) discovered that the relatively weak high excitation lines of N 1 near 7468 and 8680 A were undetectable in the majority of HgMn stars, leading to upper limits on the N abundance of roughly ten times below that of the solar N abundance. Standard stars with similar temperatures (10,000 to 13,000 K) did exhibit these same N lines and were found to have roughly solar N abundances. The N abundances were redetermined in two HgMn stars and four standard stars using the strong, low excitation lines of N 1 found in the ultraviolet. The observational data consisted of high quality, high resolution, co-added International Ultraviolet Explorer spectra which was previously collected and reduced. Examination of the spectra plus considerations of signal/noise and severe line blending led to the choice of three promising N 1 lines located at 1742.7, 1745.3 and 1411.9 A. The atomic data for these lines were previously calculated using the best laboratory measurements found in a search of the relevant literature. The chosen N lines turned out to be blended significantly with Fe 2 lines. To obtain the abundances for N synthetic spectra were computed to match the observed spectra. The synthetic spectra were calculated using lie-blanketed model atmospheres, stellar parameters, and abundances for the other elements based upon previous work by S. Adelman. The N abundance was then adjusted to give the best fit of the observed line profiles. In the 2 HgMn stars, the N lines were again found to be undetectable, but the stronger intrinsic strength of the new lines yield more stringent upper limits than those obtained previously. Model atmosphere and abundances were updated in two stars where new results were reported. An additional N 1 line and an additional standard star were added to the program. A line opacity model was developed for a missing feature adjacent to the N 1 line at 1745.2 A, leading to a 25 percent improvement in the determined from this line.

Roby, Scott W.↗
DOE OSTI2025

Spectral line-shape in collinear laser spectroscopy after atomic charge exchange

Collinear laser spectroscopy experiments on fast, neutral beams have been extensively used for studies on short-lived radioactive nuclei, taking advantage of its high sensitivity. The resulting resonance line-shape is known to show significant distortion, due to the energy exchange during the charge-exchange neutralization process, which can cause large systematic uncertainty in the determined centroid. A model for the line shape was constructed and simulated to be compared to measured Al, Si, and Ni hyperfine spectra. It is shown that the distortion is caused mainly by the transfer of electron into many different energy levels in the projectile atom and subsequent decays, rather than secondary inelastic collisions, which were often assumed in the line shape analysis before. Furthermore, the model can also be applied to other projectile–alkali pairs, providing a reliable line-shape with less fitting parameters than conventional phenomenological models.

Atom↗
DOE OSTI2025

Satellites, core hole excitations, and spin-resolved electronic structure in the spectroscopy of half-metallic CrO 2

Photoelectron satellites—the structures appearing on the low kinetic or high binding-energy side of the “main” or “elastic” photopeak—betray the complex many-body interactions set in motion by the sudden creation of the core hole. In this work, we demonstrate, using the technologically important ferromagnetic half-metal CrO 2 , how such satellites can manifest themselves in other core-level spectroscopies of the material and how they can reveal important details pertinent to its electronic structure. Specifically, we identify a fluorescence satellite in the Cr 𝐿 3 resonant x-ray-emission spectra that radiates at a constant emission energy across the Cr 𝐿 3 x-ray edge with energy ≈1.3 eV above the ordinary valence fluorescence. Here, we provide evidence that this feature arises from the valence recombination of the Cr 2⁢𝑝 core hole “dressed” by the same shakeup charge-transfer process present in both the Cr x-ray photoelectron and the Cr x-ray absorption spectra with its energy uniquely measuring the exchange splitting of the Cr 3⁢𝑑 level. Further analysis of the x-ray emission data reveals three additional features that radiate at constant loss energy that are attributed to combinations of Cr 3⁢𝑑⁢(𝑡 2⁢𝑔 ) → Cr 3⁢𝑑⁢(𝑡 2⁢𝑔 ), charge-transfer O 2⁢𝑝→Cr 3⁢𝑑, and crystal-field Cr⁢ 3⁢𝑑⁡(𝑡 2⁢𝑔 )→Cr⁢ 3⁢𝑑⁡(𝑒 𝑔 ) excitations. These assignments and their energies are supported by density-functional theory calculations, the accuracy of which we demonstrate by hard x-ray valence-photoemission measurements. Atomic multiplet calculations, which include crystal-field effects, help interpret x-ray photoelectron and x-ray absorption spectra of the covalently mixed Cr ion. Resonant Cr K-𝐿 2,3 ⁢𝐿 2,3 Auger-electron emission spectra support a ligand-to-metal nature of the charge-transfer process while highlighting the charge sensitivity differences between photon-in/electron-out and photon-in/photon-out spectroscopies.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Modeling the sequential dissociative double ionization of O 2 by ultrashort intense infrared laser pulses

A density matrix approach for sequential double ionization (DM-SDI) of molecules has been developed recently and was applied to the N 2 molecule. In this article, we extended the DM-SDI model to O 2 , which is a more complicated system to model than N 2 , due to its electronic structures and spin-orbit and laser couplings in the manifold of doubly charged states. We obtained a good agreement on the kinetic energy release spectrum of O + + O + from previous experiments. Thanks to the low computational cost of the model, we explored the mechanism behind the ionization and dissociation dynamics as well as the effects of lasers on the spectrum. Furthermore, this work will pave the way to model sequential dissociative double ionization of larger molecules and to probe molecular dynamics by measuring kinetic energy release spectra from this process.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1979

Voyager observations of the interstellar medium in the 500- to 1700-A spectral region

Observations of the interstellar medium have been obtained in the 500-1700-A spectral region by the ultraviolet spectrometers installed on the Voyager spacecraft. A preliminary analysis of the least complex of the spectra obtained to date indicates measurable emission in spectral lines at 584, 1026, and 1216 A. These emissions are identified with resonance scattering of solar radiation in transitions of helium and atomic hydrogen. The observations in the direction alpha 324 deg, delta-23 deg contain no measurable direct emission or scattering of stellar radiation by the interstellar medium to an upper limit of 0.0005 R/A at 975 A. Spectra obtained in other directions indicate measurable sources of apparent continua having relatively broad spatial extent.

Shemansky, D. E.↗
DOE OSTI2021

Tunable Infrared Laser Absorption Spectroscopy of Aluminum Monoxide $A^2\Pi_i $–$X^2\Sigma^+$.

We report the details of an infrared, laser absorption diagnostic capable of quantifying aluminum monoxide temperature and column density at 100 kHz repetition rate. This novel technique employs a near infrared MEMS-VCSEL to measure rotationally resolved optical absorption spectra of aluminum monoxide $A^2\Pi_i$ - $X^2\Sigma^+$ from approximately 7400 –7900 cm -1 . Temperatures and column densities are extracted from model regressions to provide temporally resolved thermochemical information on aluminum oxidation reactions. The measurement capability is demonstrated by performing 100 kHz measurement in the plume of an exploding bridgewire with measured temperatures of 3450–3100 K and column densities of 1– 11 x 10 16 cm -2 . To the authors knowledge, this is the first use of the AlO $A^2\Pi_i$ - $X^2\Sigma^+$ transition to characterize aluminum combustion environments. Details regarding signal extraction and calibration of MEMS-VCSEL spectra are also included. Although unsuccessful, efforts to extract kinetic temperature and column density from simultaneously measured, atomic aluminum 2 P 3/2,1/2 - 2 S 1/2 transitions at 7618 cm -1 and 7602 cm -1 are also described.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Watching Excited State Dynamics with Optical and X-ray Probes: The Excited State Dynamics of Aquocobalamin and Hydroxocobalamin

Femtosecond time-resolved X-ray absorption (XANES) at the Co K-edge, X-ray emission (XES) in the Co Kβ and valence-to-core regions, and broadband UV–vis transient absorption are combined to probe the femtosecond to picosecond sequential atomic and electronic dynamics following photoexcitation of two vitamin B12 compounds, hydroxocobalamin and aquocobalamin. Polarized XANES difference spectra allow identification of sequential structural evolution involving first the equatorial and then the axial ligands, with the latter showing rapid coherent bond elongation to the outer turning point of the excited state potential followed by recoil to a relaxed excited state structure. Time-resolved XES, especially in the valence-to-core region, along with polarized optical transient absorption suggests that the recoil results in the formation of a metal-centered excited state with a lifetime of 2–5 ps. In conclusion, this combination of methods provides a uniquely powerful tool to probe the electronic and structural dynamics of photoactive transition-metal complexes and will be applicable to a wide variety of systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Chemical and elemental mapping of spent nuclear fuel sections by soft X-ray spectromicroscopy

Soft X-ray spectromicroscopy at the O K -edge, U N 4,5 -edges and Ce M 4,5 -edges has been performed on focused ion beam sections of spent nuclear fuel for the first time, yielding chemical information on the sub-micrometer scale. To analyze these data, a modification to non-negative matrix factorization (NMF) was developed, in which the data are no longer required to be non-negative, but the non-negativity of the spectral components and fit coefficients is largely preserved. The modified NMF method was utilized at the O K -edge to distinguish between two components, one present in the bulk of the sample similar to UO 2 and one present at the interface of the sample which is a hyperstoichiometric UO 2+ x species. The species maps are consistent with a model of a thin layer of UO 2+ x over the entire sample, which is likely explained by oxidation after focused ion beam (FIB) sectioning. In addition to the uranium oxide bulk of the sample, Ce measurements were also performed to investigate the oxidation state of that fission product, which is the subject of considerable interest. Analysis of the Ce spectra shows that Ce is in a predominantly trivalent state, with a possible contribution from tetravalent Ce. Atom probe analysis was performed to provide confirmation of the presence and localization of Ce in the spent fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗