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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1972

Electric discharges in air - Near infrared emission spectrum.

The emission from glow discharges in flowing air has been investigated in the 1- to 5-micron wavelength region with a vacuum spectrometer. Most of the spectral features observed in the pressure range of .5 to 10 torr are identified, including atomic lines of OI, NI, and HI and molecular bands of N2, NO, N2O, CO2, and CO. The spectra are presented as a function of pressure and a table compiled of the atomic lines. Of particular interest are the contrasts between the emission of the air discharge and that of the pure gases, nitrogen and oxygen. In addition, the results of studies of several discharge modes, employing steady voltages and pulsed, provide data on details of the energy flow within the plasma.

Benesch, W. M.↗
DOE OSTI2025

Linear and Nonlinear X-ray Spectra of Chiral Molecules: X-ray Circular Dichroism, Sum- and Difference-Frequency Generation of Fenchone and Cysteine

Recent advancements in X-ray light sources enable element-sensitive nonlinear spectroscopies for probing molecular chirality. We simulate X-ray absorption spectroscopy, X-ray circular dichroism (XCD), and nonlinear optical/X-ray SFG and DFG (OX SFG/DFG) signals for two prototypical chiral molecules, fenchone and cysteine. Furthermore, our multireference simulations reproduce experimental data and reveal how novel X-ray spectroscopies exploit the site- and element-sensitivity of X-rays to uncover molecular asymmetry. The XCD spectra show strong asymmetries at chiral centers, while distant atoms contribute weaker signals. The OX SFG/DFG signals, under fixed resonant optical excitation, strongly depend on the core and valence excitations. This allows us to introduce two-dimensional (2D) chirality-sensitive valence-core spectroscopy, which provides insight into the overlap between valence orbitals and local molecular asymmetry. Finally, our estimates using realistic laser and X-ray pulse parameters demonstrate that such nonlinear experiments are feasible at XFELs, offering a promising tool for investigating chiral molecules.

Circular dichroism spectroscopy↗
DOE OSTI2020

Sensitivity of EDM experiments in paramagnetic atoms and molecules to hadronic CP violation

Experiments searching for the electric dipole moment (EDM) of the electron d e utilize atomic/molecular states with one or more uncompensated electron spins, and these paramagnetic systems have recently achieved remarkable sensitivity to d e . If the source of CP violation resides entirely in the hadronic sector, the two-photon exchange processes between electrons and the nucleus induce CP-odd semileptonic interactions, parametrised by the Wilson coefficient C SP , and provide the dominant source of EDMs in paramagnetic systems instead of d e . We evaluate the C SP coefficients induced by the leading hadronic sources of CP violation, namely nucleon EDMs and CP-odd pion-nucleon couplings, by calculating the nucleon-number-enhanced CP-odd nuclear scalar polarisability, employing chiral perturbation theory at the nucleon level and the Fermi-gas model for the nucleus. This allows us to translate the ACME EDM limits from paramagnetic ThO into novel independent constraints on the QCD theta term |$\bar θ$| < 3 × 10 –8 , proton EDM |d p | < 2 × 10 –23 e cm, isoscalar CP-odd pion-nucleon coupling |$\bar g$$^{(1)}_{πNN}$| < 4 × 10 –10 , and color EDMs of quarks |$\tilde d$ u -$\tilde $d d | < 2 × 10 –24 cm. We note that further experimental progress with EDM experiments in paramagnetic systems may allow them to rival the sensitivity of EDM experiments with neutrons and diamagnetic atoms to these quantities.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

All-Order Full-Coulomb Quantum Spectral Line-Shape Calculations

Understanding how atoms interact with hot dense matter is essential for astrophysical and laboratory plasmas. Interactions in high-density plasmas broaden spectral lines, providing a rare window into interactions that govern, for example, radiation transport in stars. However, up to now, spectral line-shape theories employed at least one of three common approximations: second-order Taylor treatment of broadening operator, dipole-only interactions between atom and plasma, and classical treatment of perturbing electrons. In this Letter, we remove all three approximations simultaneously for the first time and test the importance for two applications: neutral hydrogen and highly ionized magnesium and oxygen. Finally, we found 15%–50% change in the spectral line widths, which are sufficient to impact applications including white-dwarf mass determination, stellar-opacity research, and laboratory plasma diagnostics.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1993

Airborne spectrophotometry of SN 1987A from 1.7 to 12.6 microns - Time history of the dust continuum and line emission

Spectrophotometric observations of SN 1987A from the Kuiper Airborne Observatory are presented for five epochs at 60, 260, 415, 615, and 775 days after the explosion. The low-resolution (lambda/Delta lambda = 50-100) spectra of SN 1987A are combined with data from other wavelengths to model the continuum, subtract the continuum from the spectra to determine line strengths and reveal molecular bands, separate the atomic continuum radiation from the dust continuum, and derive constraints on the grain temperatures and optical depths. A scenario for the evolution of SN 1987A and that of the ejecta from which it arises is obtained on the basis of the analysis of the continuum emission.

Wooden, Diane H.↗
DOE OSTI2021

X-ray spectroscopic identification of strain and structure-based resonances in a series of saturated carbon-cage molecules: Adamantane, twistane, octahedrane, and cubane

Novel nanocarbons such as fullerenes, nanotubes, graphene, and nanodiamond reside at the cutting edge of nanoscience and technology. Along with chemical functionalization, geometric constraints (such as extreme curvature in nanotubes or defects within or at the surfaces of diamond nanoparticles) significantly alter the electronic states of the nanocarbon material. Understanding the effects of steric strain on the electronic structure is critical to developing nanoelectronic applications based on these materials. This paper presents a fundamental study of how strain affects the electronic structure in a benchmark series of some fundamental saturated carbon cage compounds. Adamantane, C10H16, the smallest diamondoid and arguably the smallest nanodiamond crystallite, has carbon atoms essentially commensurate with diamond lattice positions and possesses by far the least molecular strain of this series. Twistane also is a C10H16 isomer but the fixed cyclohexane twist conformation of the central ring introduces additional strain into the cage. Octahedrane [(CH)12] and cubane [(CH)8] are considerably more strained, culminating in cubane where carbon–carbon bonds lie either parallel or orthogonal to one another. Using gas-phase near-edge x-ray absorption fine structure spectroscopy to probe the unoccupied electronic states, we observe two major progressions across this series. First, a broad C–C σ* resonance in the absorption splits into two more narrow and intense resonances with increasing strain. Second, the first manifold of states previously associated with tertiary C–H σ* in the diamondoid series appears to broaden and shift to lower energy. This feature is more than twice as intense in cubane than in octahedrane, even though these two molecules have only tertiary carbons, with the chemical formula (CH)x. The spectral differences are entirely due to the shape of the molecules; in particular, in cubane, the features arise from a high degree of p-p interaction between parallel C–C bonds. In contrast to the conventional wisdom that near-edge x-ray absorption is primarily an atomically localized spectroscopy, molecular shape and associated strain lead to the dominant features in spectra acquired from this fundamental series of carbon cage structures.

36 MATERIALS SCIENCE↗
NASA NTRS1982

Application of ion-induced nucleation mass spectrometry in the analysis of trace gases evolved from a polyimide film during the thermal curing stages

Trace gases evolved from a polyimide film during its thermal curing stages have been studied using ion-induced nucleation mass spectrometry. The technique involved exposing the test gas sample to a low energy beta source and recording the masses of the ion-induced molecular clusters formed in the reaction chamber. On the basis of the experimentally observed molecular cluster spectra, it has been concluded that the dominant trace component had a molecular weight of 87 atomic mass units. This component has been identified as a molecule of dimethylacetamide (DMAC) which had been used as a solvent in the preparation of the test polyimide specimen. This identification has been further confirmed by comparing the spectra of the test gas sample and the DMAC calibration sample obtained with a conventional mass spectrometer. The advantages of the ion-induced nucleation mass spectrometer versus the conventional mass spectrometer are discussed.

Smith, A. C.↗
DOE OSTI2022

A new generation of effective core potentials from correlated and spin–orbit calculations: Selected heavy elements

We introduce new correlation consistent effective core potentials (ccECPs) for the elements I, Te, Bi, Ag, Au, Pd, Ir, Mo, and W with 4d, 5d, 6s, and 6p valence spaces. These ccECPs are given as a sum of spin-orbit averaged relativistic effective potential (AREP) and effective spin–orbit (SO) terms. The construction involves several steps with increasing refinements from more simple to fully correlated methods. The optimizations are carried out with objective functions that include weighted many-body atomic spectra, norm-conservation criteria, and SO splittings. Transferability tests involve molecular binding curves of corresponding hydride and oxide dimers. The constructed ccECPs are systematically better and in a few cases on par with previous effective core potential (ECP) tables on all tested criteria and provide a significant increase in accuracy for valence-only calculations with these elements. Our study confirms the importance of the AREP part in determining the overall quality of the ECP even in the presence of sizable spin–orbit effects. The subsequent quantum Monte Carlo calculations point out the importance of accurate trial wave functions that, in some cases (mid-series transition elements), require treatment well beyond a single-reference.

Wang, Guangming (ORCID:0000000231327925)↗
NASA NTRS1995

FTP-Server for exchange, interpretation, and database-search of ion mobility spectra, literature, preprints and software

To assist current discussion in the field of ion mobility spectrometry, at the Institut fur Spectrochemie und angewandte Spektroskopie, Dortmund, start with 4th of December, 1994 work of an FTP-Server, available for all research groups at univerisities, institutes and research worker in industry. We support the exchange, interpretation, and database-search of ion mobility spectra through data format JCAMP-DS (Joint Committee on Atomic and Molecular Physical Data) as well as literature retrieval, pre-print, notice, and discussion board. We describe in general lines the entrance conditions, local addresses, and main code words. For further details, a monthly news report will be prepared for all common users. Internet email address for subscribing is included in document.

Baumbach, J. I.↗
NASA NTRS1993

Remote measurement of planetary magnetic fields by the Hanle effect

Resonance fluorescence lines in the spectra of planetary atmospheres are polarized. They will be depolarized by magnetic fields in the scattering medium (Hanle effect). The amount of depolarization was calculated for some atomic (FeI, CaI) lines and some molecular lines (NO gamma bands) seen in the Earth's day glow spectra. The results are presented and the potential advantages of LIDAR measurements for obtaining atmospheric magnetic fields are discussed. The depolarization of Na and Ca lines are suitable for measuring magnetic fields in and near Io.

Kumar, C. K.↗
NASA NTRS2018

The Advanced Spectral Library (ASTRAL): Reference Spectra for Evolved M Stars

The HST Treasury Program Advanced Spectral Library Project: Cool Stars was designed to collect representative, high-quality UV spectra of eight evolved FM type cool stars. The Space Telescope Imaging Spectrograph (STIS)echelle spectra of these objects enable investigations of a broad range of topics, including stellar and interstellar astrophysics. This paper provides a guide to the spectra of the two evolved M stars, the M2 Iab supergiant Oriand the M3.4 giant Cru, with comparisons to the prototypical K1.5 giant Boo. It includes identifications of the significant atomic and molecular emission and absorption features and discusses the character of the photospheric and chromospheric continua and line spectra. The fluorescent processes responsible for a large portion of the emission-line spectrum, the characteristics of the stellar winds, and the available diagnostics for hot and cool plasmas are also summarized. This analysis will facilitate the future study of the spectra, outer atmospheres, and winds, not only of these objects but of numerous other cool, low-gravity stars, for years to come.

The HST Treasury Program Advanced Spectral Library↗
NASA NTRS1983

Energetic atomic and molecular ions in Saturn's magnetosphere

Voyager 1 and 2 sensor data are analyzed in order to derive the composition, energy spectra, and spatial distribution of energetic ions in the Saturn magnetosphere. In order of abundance, the major species are H, H2(+), He, H3(+), C, and O. The fluxes of all species decreased inside the orbit of Dione, and nearly vanished in the 'slot' region within the orbit of Tethys. Both satellite absorption and precipitation due to pitch angle scattering may be important loss processes in that region. In the outer magnetosphere, photodissociation rapidly destroys a large fraction of the H2(+) ions, but dissociation by impact with neutral H atoms is faster for H2(+) ions in the lowest vibrational state. The ground state lifetime of about 23 days places a limit of about 10-100 days on the mean overall residence time for energetic ions in Saturn's magnetosphere.

Hamilton, D. C.↗
NASA NTRS2000

Basic Modeling of the Solar Atmosphere and Spectrum

During the last three years we have continued the development of extensive computer programs for constructing realistic models of the solar atmosphere and for calculating detailed spectra to use in the interpretation of solar observations. This research involves two major interrelated efforts: work by Avrett and Loeser on the Pandora computer program for optically thick non-LTE modeling of the solar atmosphere including a wide range of physical processes, and work by Kurucz on the detailed high-resolution synthesis of the solar spectrum using data for over 58 million atomic and molecular lines. Our objective is to construct atmospheric models from which the calculated spectra agree as well as possible with high-and low-resolution observations over a wide wavelength range. Such modeling leads to an improved understanding of the physical processes responsible for the structure and behavior of the atmosphere.

Avrett, Eugene H.↗
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 NTRS2002

The Neutral Gas Desorption and Breakdown on a Metal-Dielectric Junction Immersed in a Plasma

New results are presented of an experimental study and theoretical analysis of arcing on metal-dielectric junctions immersed in a low-density plasma. Two samples of conventional solar arrays have been used to investigate the effects of arcing within a wide range of neutral gas pressures, ion currents, and electron number densities. All data (except video) were obtained in digital form that allowed us to study the correlation between external parameters (plasma density, additional capacitance, bias voltage, etc) and arc characteristics (arc rate, arc current pulse width and amplitude, gas species partial pressures, intensities of spectral lines, and so on). Arc sites were determined by employing a video-camera, and it is shown that the most probable sites for arc inception are trip le-junctions, even though some arcs were initiated in gaps between cells. The effect of surface conditioning (decrease of arc rate due to outgassing) was clearly demonstrated. Moreover, a considerable increase in arc rate due to absorption of molecules from atmospheric air has been confirmed. The analysis of optical spectra (240-800 nm) reveals intense narrow atomic lines (Ag, H) and wide molecular bands (OH, CH, SiH, SiN) that confirm a complicated mechanism of arc plasma generation. The rate of plasma contamination due to arcing was measured by employing a mass-spectrometer. These measurements provided quite reliable data for the development of a theoretical model of plasma contamination, In conclusion, the arc threshold was increased to above 350 V (from 190 V) by keeping a sample in vacuum (20 micronTorr) for seven days. The results obtained are important for the understanding of the arc inception mechanism, which is absolutely essential for progress toward the design of high voltage solar arrays for space applications.

Vayner, Boris↗
NASA NTRS2003

Solar Array in Simulated LEO Plasma Environment

Six different types of solar arrays have been tested in large vacuum chambers. The low earth orbit plasma environment was simulated in plasma vacuum chambers, where the parameters could be controlled precisely. Diagnostic equipment included spherical Langmuir probes, mass spectrometer, low-noise CCD camera with optical spectrometer, video camera, very sensitive current probe to measure arc current, and a voltage probe to register variations in a conductor potential. All data (except video) were obtained in digital form that allowed us to study the correlation between external parameters (plasma density, additional capacitance, bias voltage, etc) and arc characteristics (arc rate, arc current pulse width and amplitude, gas species partial pressures, and intensities of spectral lines). Arc inception voltages, arc rates, and current selections are measured for samples with different coverglass materials and thickness, interconnect designs, and cell sizes. It is shown that the array with wrapthrough interconnects have the highest arc threshold and the lowest current collection. Coverglass design with overhang results in decrease of current collection and increase of arc threshold. Doubling coverglass thickness cases the increase in arc inception voltage. Both arc inception voltage and current collection increase significantly with increasing a sample temperature to 80 C. Sustained discharges are initiated between adjacent cells with potential differences of 40 V for the sample with 300 micron coverglass thickness and 60 V for the sample with 150 micron coverglass thickness. Installation of cryogenic pump in large vacuum chamber provided the possibility of considerable outgassing of array surfaces which resulted in significant decrease of arc rate. Arc sites were determined by employing a video-camera, and it is shown that the most probable sites for arc inception are triple-junctions, even though some arcs were initiated in gaps between cells. It is also shown that the arc rate increases with increasing of ion collection current. The analysis of optical spectra (240-800 nm) reveals intensive narrow atomic lines (Ag, H) and wide molecular bands (OH, CH, SiH, SiN) that confirms a complicated mechanism of arc plasma generation. The results obtained seem to be important for the understanding of the arc inception mechanism, which is absolutely essential for progress toward the design of high-voltage solar array for space application.

Vayner, Boris↗
NASA NTRS2004

Solar Array in Simulated LEO Plasma Environment

Six different types of solar arrays have been tested in large vacuum chambers. The low Earth orbit plasma environment was simulated in plasma vacuum chambers, where the parameters could be controlled precisely. Diagnostic equipment included spherical Langmuir probes, mass spectrometer, low-noise CCD camera with optical spectrometer, video camera, very sensitive current probe to measure arc current, and a voltage probe to register variations in a conductor potential. All data (except video) were obtained in digital form that allowed us to study the correlation between external parameters (plasma density, additional capacitance, bias voltage, etc) and arc characteristics (arc rate, arc current pulse width and amplitude, gas species partial pressures, and intensities of spectral lines). Arc inception voltages, arc rates, and current collections are measured for samples with different coverglass materials and thickness, interconnect designs, and cell sizes. It is shown that the array with wrapthrough interconnects have the highest arc threshold and the lowest current collection. Coverglass design with overhang results in decrease of current collection and increase of arc threshold. Doubling coverglass thickness causes the increase in arc inception voltage. Both arc inception voltage and current collection increase significantly with increasing a sample temperature to 80 C. Sustained discharges are initiated between adjacent cells with potential differences of 40 V for the sample with 300 m coverglass thickness and 60 V for the sample with 150 m coverglass thickness. Installation of cryogenic pump in large vacuum chamber provided the possibility of considerable outgassing of array surfaces which resulted in significant decrease of arc rate. Arc sites were determined by employing a video-camera, and it is shown that the most probable sites for arc inception are triple-junctions, even though some arcs were initiated in gaps between cells. It is also shown that the arc rate increases with increasing of ion collection current. The analysis of optical spectra (240-800 nm) reveals intensive narrow atomic lines (Ag, H) and wide molecular bands (OH, CH, SiH, SiN) that confirms a complicated mechanism of arc plasma generation. The results obtained seem to be important for the understanding of the arc inception mechanism, which is absolutely essential for progress toward the design of high-voltage solar array for space application.

Vayner, Boris↗