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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Unlocking the Sun's Secrets: Laboratory Insights into the Sun's Outer Atmosphere

The Sun’s corona, its outermost and hottest atmospheric layer, emits brightly in the extreme ultraviolet (EUV) and X-rays. This emission comes from atoms that have been highly ionized by the high temperature, forming a plasma of atomic ions and free electrons. By studying this light, scientists learn about the complex and dynamic drivers of solar activity. Many past, current, and future solar observatories focus on measuring EUV spectra from the Fe IX ion, as this ion provides powerful diagnostics for solar physics. Using Fe IX spectra, solar physicists can measure the plasma temperature, density, elemental abundances, and flow velocities in the corona. However, atomic data uncertainties concerning spectral line identification and plasma density diagnostics are a major problem for the accurate interpretation of these spectra.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1993

Spectral measurements of shock layer radiation in an arc-jet wind tunnel

Measurements were made of the radiating gas cap of a blunt body in an NASA Ames 20 MW arcjet wind tunnel. The test gas was air. Spectra of the flux incident on a small aperture centered at the stagnation region were obtained. A helium-cooled MgF window transmitted flux into an evacuated collimating system that focused the aperture onto the entrance slit of a spectrometer. Data were obtained with films and by photomultipliers. The range covered was 120 nm to 1000 nm and the resolution was 0.05 nm to 0.5 nm. This paper presents preliminary results from the experiment. Representative spectral records from 200 nm to 1000 nm are shown. The spectra show the atomic lines from oxygen and nitrogen in the IR, as well as the molecular systems of NO, N2, N2(+), and CN. Copper, as a contaminant, and carbon are tentatively identified.

Palumbo, Giuseppe↗
NASA NTRS2002

The Role of Water Vapor and Dissociative Recombination Processes in Solar Array Arc Initiation

Experimental plasma arc investigations involving the onset of arc initiation for a negatively biased solar array immersed in low-density plasma have been performed. Previous studies into the arc initiation process have shown that the most probable arcing sites tend to occur at the triple junction involving the conductor, dielectric and plasma. More recently our own experiments have led us to believe that water vapor is the main causal factor behind the arc initiation process. Assuming the main component of the expelled plasma cloud by weight is water, the fastest process available is dissociative recombination (H2O(+) + e(-) (goes to) H* + OH*). A model that agrees with the observed dependency of arc current pulse width on the square root of capacitance is presented. A 400 MHz digital storage scope and current probe was used to detect arcs at the triple junction of a solar array. Simultaneous measurements of the arc trigger pulse, the gate pulse, the arc current and the arc voltage were then obtained. Finally, a large number of measurements of individual arc spectra were obtained in very short time intervals, ranging from 10 to 30 microseconds, using a 1/4 a spectrometer coupled with a gated intensified CCD. The spectrometer was systematically tuned to obtain optical arc spectra over the entire wavelength range of 260 to 680 nanometers. All relevant atomic lines and molecular bands were then identified.

Galofar, J.↗
DOE OSTI2025

AI-powered exploration of molecular vibrations, phonons, and spectroscopy

The vibrational dynamics of molecules and solids play a critical role in defining material properties, particularly their thermal behaviors. However, theoretical calculations of these dynamics are often computationally intensive, while experimental approaches can be technically complex and resource-demanding. Recent advancements in data-driven artificial intelligence (AI) methodologies have substantially enhanced the efficiency of these studies. This review explores the latest progress in AI-driven methods for investigating atomic vibrations, emphasizing their role in accelerating computations and enabling rapid predictions of lattice dynamics, phonon behaviors, molecular dynamics, and vibrational spectra. Key developments are discussed, including advancements in databases, structural representations, machine-learning interatomic potentials, graph neural networks, and other emerging approaches. Compared to traditional techniques, AI methods exhibit transformative potential, dramatically improving the efficiency and scope of research in materials science. The review concludes by highlighting the promising future of AI-driven innovations in the study of atomic vibrations.

Han, Bowen [Oak Ridge National Laboratory (ORNL), ↗
DOE OSTI2025

Spectra-Orthogonal Optical Anisotropy in Wafer-Scale Molecular Crystal Monolayers

Controlling the spectral and polarization response of two-dimensional (2D) crystals is vital for developing ultrathin platforms for compact optoelectronic devices. However, independently tuning optical anisotropy and spectral response remains challenging in conventional semiconductors due to the intertwined nature of their lattice and electronic structures. Here, we report spectra-orthogonal optical anisotropy─where polarization anisotropy is tuned independently of spectral response─in wafer-scale, one-atom-thick 2D molecular crystal (2DMC) monolayers synthesized on monolayer transition-metal dichalcogenide (TMD) crystals. Utilizing the concomitant spectral consistency and structural tunability of perylene derivatives, we demonstrate tunable optical polarization anisotropy in 2DMCs with similar spectral profiles, as confirmed by room-temperature scanning tunneling microscopy and cross-polarized reflectance microscopy. Additional angle-dependent analysis of the single-crystal and polycrystalline molecular domains reveals an epitaxial relationship between the 2DMC and TMD. In conclusion, our results establish a scalable, molecule-based 2D crystalline platform for unique and tunable functionalities unattainable in covalent 2D solids.

2D materials↗
NASA NTRS1996

Atomic and Molecular Data for Interstellar Studies: A Status Report

Most interstellar species have a large fraction of their electronic transitions at far ultraviolet wavelengths. Observations at these wavelengths reveal spectra rich in absorption lines seen against the continuum of a background source, such as a hot star in our Galaxy, a supernova in a nearby galaxy, or even a bright nucleus in an active galaxy. Most of the observations continue to be made with space-borne instruments, but recent work includes measurements of extragalactic material at large redshifts obtained at high resolution with large ground-based telescopes (e.g., the Keck Telescope). The combination of precise experimental oscillator strengths, large-scale computations, and astronomical spectra with high signal-to-noise ratios are yielding a set of self-consistent-values that span a range in strength in excess of 100 for more and more species. The large range is important for studies involving the different environments probed by the various background sources. This review highlights recent work on the atomic species. Si II, S I, and Fe II, and on the molecules, CO and C2.

Federman, Steven R.↗
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 NTRS1976

Ultraviolet observations of local gas

From satellite measurements of ultraviolet spectra of stars, an average density of approximately 1.1/cu cm for hydrogen atoms, in both atomic and molecular form, is estimated for regions of space along the galactic plane within about 1 kpc of the sun. About 20% of the atoms are bound in molecular form although this figure is uncertain since the ultraviolet measurements avoid the very dense interstellar clouds. Discrete values for this percentage are observed to vary markedly; regions with less than average density seem to have fractional abundances of H2 several orders of magnitude lower than average. A ratio of CO/H is observed for regions in front of stars observed by the Copernicus satellite.

Jenkins, E. B.↗
NASA NTRS1977

Ultraviolet observations of local gas

From satellite measurements of ultraviolet spectra of stars, an average density of approximately 1.1 cu m/sec for hydrogen atoms, in both atomic and molecular form, is estimated for regions of space along the galactic plane within about 1 kpc of the sun. About 20 percent of the atoms are bound in molecular form, although this figure is uncertain because the ultraviolet measurements avoid the very dense interstellar clouds. Discrete values for this percentage are observed to vary markedly; regions with less than average density appear to have fractional abundances of H2 several orders of magnitude lower than average. A ratio of CO/H which ranges from 10 to the minus 9th to 10 to the minus 6th power is observed for regions in front of stars observed by the Copernicus satellite.

Jenkins, E. B.↗
NASA NTRS2003

The Evolution of Interstellar Gas: Massive Stars and the Dispersal of Neutral Material

We studied the effects of newly formed O and B stars on their surrounding interstellar material through a combination of observations and theoretical modeling. The observational data came from measurements of absorption seen in the spectra of background, newly formed stars. Particular attention was given to stellar radiation which converts molecular to atomic material. Laboratory data on absorption cross sections relevant to the analysis and interpretation of carbon monoxide formed part of the effort. The grant supported Postdoctoral Fellows, Drs. Min Yan and Yaron Sheffer, and a laboratory technician. Though the students themselves were not supported. one M.S. Thesis and two Ph.D. dissertations from the University of Toledo were based on the research done under the grant. The research accomplished under this grant led directly to other funded programs. An observing proposal to study the chemistry of diffuse molecular clouds in the Large and Small Magellanic Clouds with ESO s Very Large Telescope was another example of a successful outcome of my LTSA program.

Federman, Steven R.↗
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↗
DOE OSTI2021

High-resolution spectroscopy of neutral Yb atoms in a solid Ne matrix

Here, we present an experimental and theoretical study of the absorption and emission spectra of Yb atoms in a solid Ne matrix at a resolution of 0.025 nm. Five absorption bands were identified as due to transitions from the 4 f 14 5 d 0 6 s 2 1 S 0 ground-state configuration to 4 f 14 5 d 0 6 s 6 p and 4 f 13 5 d 1 6 s 2 configurations. The two lowest-energy bands were assigned to outer-shell transitions to 6 s 6 p 3 P 1 and 1 P 1 atomic states and displayed the structure of a broad doublet and an asymmetric triplet, respectively. The remaining three higher-frequency bands were assigned to inner-shell transitions to distinct J = 1 states arising from the 4 f 13 5 d 1 6 s 2 configuration and were highly structured with narrow linewidths. A classical simulation was performed to identify the stability and symmetry of possible trapping sites in the Ne crystal. It showed that the overarching 1 + 2 structure of the high-frequency bands could be predominantly ascribed to crystal-field splitting in the axial field of a 10-atom vacancy of C 4 v symmetry. Their prominent substructures were shown to be manifestations of phonon sidebands associated with the zero-phonon lines on each crystal-field state. Unprecedented for a metal–rare-gas system, resolution of individual phonon states on an allowed electronic transition was possible under excitation spectroscopy which reflects the semiquantum nature of solid Ne. In contrast to the absorption spectra, emission spectra produced by steady-state excitation into the 1 P 1 absorption band consisted of simple, unstructured fluorescence bands.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1991

The solar spectrum

The UV-IR solar spectrum is presented and discussed with a view to the comparative value of the data and their application in atomic or molecular spectroscopy and in solar, atmospheric, planetary, cometary, or stellar physics. Attention is given to intensity spectra, terrestrial atmospheric spectra, the 296-1300 nm Solar Flux Atlas of Kurucz et al. (1984), and line identifications.

Kurucz, Robert L.↗
DOE OSTI2021

The Third Data Release of the KODIAQ Survey

We present and make publicly available the third data release (DR3) of the Keck Observatory Database of Ionized Absorption toward Quasars (KODIAQ) survey. KODIAQ DR3 consists of a fully reduced sample of 727 quasars at 0.1 < z {sub em} < 6.4 observed with the Echellette Sepctrograph and Imager at moderate resolution (4000 ≤ R ≤ 10,000). DR3 contains 872 spectra available in flux calibrated form, representing a sum total exposure time of ∼2.8 megaseconds. These coadded spectra arise from a total of 2753 individual exposures of quasars taken from the Keck Observatory Archive (KOA) in raw form and uniformly processed using a data reduction package made available through the XIDL distribution. DR3 is publicly available to the community, housed as a higher level science product at the KOA and in the igmspec database.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Evaluation of a collisional radiative model for electron temperature determination in hydrogen plasma

A collisional-radiative (CR) model that extracts the electron temperature, T e , of hydrogen plasmas from Balmer-line-ratio measurements is examined for the plasma electron density, n e , and T e ranges of 10 10 –10 15 cm –3 and 5–500 eV, respectively. The CR code, developed and implemented in Python, has a forward component that computes the densities of excited states up to n = 15 as functions of T e , n e , and the molecular-to-atomic neutral ratio r(H 2 /H). The backward component provides ne and r(H 2 /H) as functions of the Balmer ratios to predict the T e . The model assumes Maxwellian electrons. Furthermore, the density profiles of the electrons and of the molecular and atomic hydrogen neutrals are shown to be of great importance, as is the accuracy of the line-ratio measurement method.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Coherent anti-Stokes Raman scattering with squeezed light: CARS for quantum-enhanced spectroscopy and imaging

We theoretically investigate quantum-enhanced coherent anti-Stokes Raman scattering (CARS) using squeezed light to amplify vibrational transition rates at low photon flux. Quantum sensing approaches are needed for nondestructive nanometrology such as in bioimaging where reduced photodamage is desired while retaining resolution and sensitivity. We analyze both single-mode squeezing applied to the pump field and two-mode squeezing between the pump and Stokes fields. We also show that the ordering of displacement and squeezing operations—whether displacement precedes squeezing or squeezing precedes displacement—has an impact on the resulting CARS transition amplitudes due to a difference in the photon number and the quantum-enhancement coefficients, with the latter offering a stronger enhancement in the case of two modes squeezing of the pump and Stokes under experimentally accessible conditions. Furthermore, our calculations capture these quantum enhancements through the intrinsic photon-number correlations of squeezed light, eliminating the need for interferometric detection or higher pump powers that are otherwise required to reach comparable sensitivities in classical CARS. Finally, we outline a quantum plasmonic extension of our model in which local field enhancements caused by surface plasmon excitation in metallic nanoparticles can be incorporated via mode-selective field amplification factors, offering a pathway toward combining squeezed-light quantum optics with surface-enhanced nanoscale spectroscopy and imaging.

Atomic & molecular structure↗
DOE OSTI2021

Attosecond Intramolecular Scattering and Vibronic Delays

We study the temporal and vibrational signature of the universal nuclear recoil associated with the electron emission and intramolecular scattering that accompanies the photoelectric effect. We illustrate these phenomena in the photoionization of the CO molecule from the C-1s orbital using an analytical model that reproduces the entangled character of the nuclear and electronic motion in this process. We show that the photoelectron emission delay can be decomposed into its localization and resonant-confinement components. Photoionization by a broadband x-ray pulse results in a coherent vibrational ionic state delayed compared to the classical sudden-photoemission limit.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

The Coronal Line Spectrum of the Iron Nova V3666 Ophiuchi

Optical and infrared spectroscopy are presented for the classical nova V3666 Ophiuchi (Nova Ophiuchi 2018 No.3) from 11 months after its outburst. At that epoch, V3666 Oph displayed an [Fe x] λ0.6375 emission line stronger than Hα and nearly a factor of 3 larger, relative to Hα, than in any nova observed previously. The [Fe x] feature, with an equivalent width exceeding 1300 Å, was enormously strong relative to the continuum emission as well. V3666 Oph also reached a state of high excitation for an Fe ii type nova, displaying coronal lines of [Fe xi], [S ix], and [Ar x], and permitted features that can be identified with the C vi (8–7), (9–8), and (10–9) transitions. In addition to [Fe x] and [Fe xi], V3666 Oph also displayed bright lines of [Fe vii], indicating that the prominent iron features were not confined to a single or narrow range of ionization states. Modeling the emission line spectrum of V3666 Oph with the photoionization code Cloudy indicated that the bulk of the emission line gas was matter-bounded, severely reducing the amount of low ionization gas and resulting in coronal lines that were very strong in comparison to lines such as H i and He i, and the familiar low excitation forbidden lines of nitrogen and oxygen. Such matter-bounded regions are observationally rare in novae since they are both faint and short-lived, offering a plausible explanation for why [Fe x] λ0.6375 had not be seen at this strength previously.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗