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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Groundbased studies of spacecraft glow and erosion caused by impact of oxygen and nitrogen beams

To simulate surface reactions in the space environment a ground-based facility was developed that produces a very high flux 10(14) to 10(16)/sq cm/s of low energy (2 to 20 eV) neutral atoms and molecules. The neutral beams are created using a method involving neutralization and reflection of ions from a biased limiter, where the ions are extracted from a toroidal plasma source. The spectra of emission due to beam-solid interactions on targets of Chemglaze Z-306 optical paint and Kapton are presented. Erosion yields for carbon and Kapton targets with low energy (approx. 10 eV) nitrogen and oxygen beams were measured. The reaction rates and surface morphology for the erosion of Kapton are similar to those measured in experiments on STS-5.

Langer, W. D.↗
NASA NTRS1991

Polycyclic aromatic hydrocarbon optical properties and contribution to the acceleration of stellar outflows

The optical constants of four polycyclic aromatic hydrocarbon (PAH) molecules (benzene, pyrene, pentacene, and coronene) are determined from their measured laboratory absorption spectra. The Planck mean of the radiation pressure cross section is computed for each molecule and for amorphous carbon (AC) grains, and semiempirically estimated for large PAH molecules up to 400 carbon atoms. Assuming that PAHs are present in carbon-rich stellar outflows, the radiation pressure forces acting on them are calculated and compared with the radiation forces on AC particles. The results show that PAHs possess very different optical properties from AC grains. Small PAHs may experience an 'inverse greenhouse' effect in the inner part of the envelope, as they decouple from the gas close to the photosphere. The radiation pressure force on PAHs is always much less than the force at work on AC grains, and PAH molecules do not affect significantly the dynamics of the outflow.

Cherchneff, Isabelle↗
DOE OSTI2021

Simulating Reflected Light Exoplanet Spectra of the Promising Direct Imaging Target, υ Andromedae d, with a New, Fast Sampling Method Using the Planetary Spectrum Generator

Simulations of exoplanet albedo profiles are key to planning and interpreting future direct imaging observations. In this paper we demonstrate the use of the Planetary Spectrum Generator (PSG) to produce simulations of reflected light exoplanet spectra. We use PSG to examine multiple issues relevant to all models of directly imaged exoplanet spectra and to produce sample spectra of the bright, nearby exoplanet υ Andromedae d (υ And d), a potential direct imaging target for next-generation facilities. We introduce a new, fast, and accurate subsampling technique that enables calculations of disk-integrated spectra one order of magnitude faster than Chebyshev–Gauss sampling for moderate- to high-resolution sampling. Using this method and a first-principles-derived atmosphere for υ And d, we simulate phase-dependent spectra for a variety of different potential atmospheric configurations. The simulated spectra for υ And d include versions with different haze and cloud properties. Based on our combined analysis of this planet’s orbital parameters, phase- and illumination-appropriate model spectra, and realistic instrument noise parameters, we find that υ And d is a potentially favorable direct imaging and spectroscopy target for the Coronagraph Instrument (CGI) on the Nancy Grace Roman Space Telescope. When a noise model corresponding to the Roman CGI SPC spectroscopy mode is included, PSG predicts the time required to reach a signal-to-noise ratio of 10 of the simulated spectra in both the central wavelength bin of the Roman CGI SPC spectroscopy mode (R = 50 spectrum) and of the Band 1 HLC imaging mode is approximately 400 and less than 40 hr, respectively. We also discuss potential pathways to extricating information about the planet and its atmosphere with future observations and find that Roman observations may be able to bound the interior temperature of the planet.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Pulse radiolysis and transient absorption spectra of aqueous solutions of sodium sulfamate

Chemical kinetics for the reactions of sulfamate ions (NH 2 SO 3 − ) with the primary products of water and nitric acid radiolysis were measured in aqueous solutions at ambient temperature. Using time-resolved electron pulse radiolysis techniques with a custom multichannel detection system, we examined the reactivity of NH 2 SO 3 − with the hydroxyl radical ( • OH), hydrogen atom (H • ), and nitrate radical (NO 3 • ). The sulfamate ion was found to react with • OH and H • with second-order rate coefficients of k • OH = (5.60 ± 0.04) × 10 6 M −1 s −1 and k H • = (7.96 ± 0.10) × 10 6 M −1 s −1 , respectively, and with NO 3 • with a rate coefficient of k NO 3 • = (1.67 ± 0.06) × 10 7 M −1 s −1 . The reactions of NH 2 SO 3 − with • OH and H • resulted in the formation of two transient radical species, one with maximum absorbance at 300 nm and a second with maxima at both 300 nm and 600 nm. These spectra are tentatively assigned to • NH 2 SO 3 and • NHSO 3 − , respectively. By measuring the absorbance of these radicals as a function of pH, the radical pK a was determined to be 9.5 ± 0.1. Overall, this work has implications for the longevity and performance of ferrous sulfamate, Fe(NH 2 SO 3 ) 2 , as a plutonium reductant in the reprocessing of used nuclear fuel.

Conrad, Jacy K. [Idaho National Laboratory (INL), ↗
DOE OSTI2024

Structural Studies of Alloyed and Nanoparticle Transition Metal Dichalcogenides by Selenium-77 Solid-State Nuclear Magnetic Resonance Spectroscopy

Layered transition metal dichalcogenides (TMDCs) such as MoS 2 , MoSe 2 , and WSe 2 are under intense investigation because they are atomically thin semiconductors with photophysical properties that can be tuned by changing their composition or morphology. Mechanochemical processing has been proposed as a method to obtain alloyed TMDCs in the series Mo 1–x W x S y Se 2–y (x = 0–1; y = 0–2). However, elucidating the chemical transformations occurring at the atomic scale following mechanochemical processing can be challenging because the products are often amorphous or microcrystalline. To address this challenge, we probe TMDC mixing and alloying by using a combination of powder X-ray diffraction, Raman spectroscopy, diffuse reflectance spectroscopy, 77 Se solid-state nuclear magnetic resonance (SSNMR) spectroscopy, and planewave density functional theory (DFT) calculations. The nature of the milling material and reaction atmosphere are shown to be essential factors in limiting the formation of undesired oxide byproducts. We demonstrate acquisition of 77 Se SSNMR spectra using different combinations of Carr-Purcell Meiboom-Gill acquisition (CPMG) pulse sequences, magic angle spinning (MAS), and MAS dynamic nuclear polarization. Further, the combination of SSNMR with the other characterization methods clearly demonstrates that high energy impact ball milling induces molecular level alloying of Mo, W and chalcogen atoms in the family Mo 1–x W x S y Se 2–y . Gauge including projector augmented wave DFT calculations yield accurate 77 Se chemical shift (CS) tensor components. 77 Se SSNMR spectroscopy was also applied to study the structure of WSe 2 nanocrystals intercalated with ethylenediamine. The intercalated WSe 2 nanocrystals exhibit a more positive isotropic 77 Se CS as compared to bulk WSe 2 , however, the 77 Se CS anisotropy is the same, confirming the WSe 2 layers have a similar structure as in their bulk counterparts.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Optical spectroscopy and modeling of uranium gas-phase oxidation: Progress and perspectives

We report that studies related to U gas-phase oxidation through plasma- and thermo-chemistry are important for many fields, including environmental monitoring, forensic analysis, debris analysis in a weapon detonation event, and nucleation physics. Recently, significant efforts have been made to understand the chemical pathways involved in the progression from U atoms to diatoms (UO) and polyatomic molecules (UxOy), employing optical spectroscopy tools and computational modeling. In many studies, laser ablation of U or a U-containing flow reactor are used as a highly resource-efficient, repeatable, tunable, and lab-scale testbed for studying gas-phase oxidation in U plasmas. The spectroscopic analysis of high-temperature gas-phase oxidation of U is challenging due to the congested U spectra, resolution limitations of instrumentation, and the numerous chemical reaction pathways possible. This article focuses on the current understanding and challenges related to studying U plasma chemistry, specifically U gas-phase oxidation and molecular formation, via optical spectroscopy of plasmas and associated computational and spectral modeling. The physical and chemical processes involved in the evolution from U atoms to U oxide molecules to nanoparticles and agglomerates (i.e., debris) are discussed in the context of optical spectroscopic studies. The article concludes by highlighting opportunities for future research efforts based on existing knowledge published in the literature.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2025

First-principles electron-phonon interactions and polarons in the parent cuprate La 2 CuO 4

Understanding electronic interactions in high-temperature superconductors is an outstanding challenge. In the widely studied cuprate materials, experimental evidence points to strong electron-phonon ( e -ph) coupling and broad photoemission spectra. Yet, the microscopic origin of this behavior is not fully understood. Here, we study e -ph interactions and polarons in a prototypical parent (undoped) cuprate, La 2 CuO 4 (LCO), by means of first-principles calculations. Leveraging parameter-free Hubbard-corrected density functional theory, we obtain a ground state with the band gap and Cu magnetic moment in nearly exact agreement with experiments. This enables a quantitative characterization of e -ph interactions. Our calculations reveal two classes of longitudinal optical (LO) phonons with strong e -ph coupling to hole states. These modes consist of bond stretching and bond bending in the Cu-O plane as well as vibrations of apical O atoms. The hole spectral functions, obtained with a cumulant method that can capture strong e -ph coupling, exhibit broad quasiparticle peaks with a small spectral weight ( Z ≈ 0.25 ) and pronounced LO-phonon sidebands characteristic of polaron effects. Our calculations predict features observed in photoemission spectra, including a 40-meV peak in the e -ph coupling distribution function not explained by existing models. These results show that the universal strong e -ph coupling found experimentally in doped lanthanum cuprates is also present in the parent compound, and elucidate its microscopic origin. Published by the American Physical Society 2025

Chang, Benjamin K. (ORCID:0000000313049324)↗
DOE OSTI2021

Contamination of argon x-ray spectra by tungsten and other elements commonly found in tokamaks

Here, emission lines which appear in the spectral ranges of ground state transitions from n> = 2 levels in He- and H-like argon ions are discussed. X-ray transitions from elements commonly found in tokamaks (tungsten, molybdenum, iron and sulphur) which radiate in the wavelength range from 3700–4000 mÅ are identified by comparison with atomic structure calculations. Individual lines from tungsten charge states in the vicinity of Zn-like W 44+ are documented, along with B-like Mo 37+ . The behaviour of line ratios as a function of electron temperature is examined, in support of the identifications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Direct Experimental Observation of the Tetrabromine Cluster Br 4 by Synchrotron Photoionization Mass Spectrometry

We present a first spectroscopic characterization of the homoatomic polyhalogen tetrabromine, Br 4 , in the gas phase. Photolysis of CHBr 3 at 248 nm is used to generate atomic bromine radicals in a flow tube reactor. Resulting combination products are detected by photoionization mass spectrometry at the Advanced Light Source of the Lawrence Berkeley National Laboratory. Interpretation of the experimental mass spectra is informed by calculated adiabatic ionization energies carried out at the CCSD(T)/aug-cc-pVTZ//M06-2X/aug-cc-pVTZ and CCSD(T)/aug-cc-pVTZ//cam-B3LYP/6-311++g** levels of theory. Tunable VUV synchrotron radiation enables the collection of the mass-selected photoionization spectra by which Br 4 is assigned using Franck-Condon simulations of a Br 2 dimer with a stretched tetrahedral geometry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1973

A spectroscopic study of CW chemical lasers.

A subsonic transverse-flow chemical laser has been instrumented to permit measurements of vibration-rotation state populations and laser output spectra under flow conditions typical of present CW hydrogen halide laser operation. Measurements are presented for the F + HI, F + HBr, F + CH4, F + HCl, F + H2, Cl + HI, and Cl + HBr atom-exchange reaction systems. CW operation was found to be characterized by relatively modest departures from Maxwell-Boltzmann vibrational energy distributions at all stages of reaction in contrast to pulsed operation based on similar reactions.

Rosen, D. I.↗
NASA NTRS1982

Identification of Fe I lines in the ultraviolet solar spectrum

High-resolution ultraviolet echelle spectrograms of the sun obtained from a rocket-borne spectrograph have been used for the identification of Fe I absorption lines in the wavelength range 1770-2020 A. Wavelength measurements, with a precision of about 15 mA, are tabulated for 425 Fe I features, along with available laboratory wavelenghs or predicted wavelengths calculated from atomic energy level data. The classification system of Moore has been extended to include possible additional multiplets with 126 newly classified lines; 234 unclassified lines were observed and identified with laboratory Fe I spectra

Mccabe, M. K.↗
NASA NTRS1984

Far-infrared spectroscopy of neutral interstellar clouds

A summary is presented of airborne observations of the far-infrared fine structure lines of neutral atomic oxygen and singly-ionized carbon, and of the far-infrared rotational lines of CO, OH, NH3 and HD, together with a brief description of the analysis and interpretation of the spectra. The 'state of the art' in instrument performance and the prospects for improved sensitivity and resolution are also surveyed.

Watson, D. M.↗
NASA NTRS1993

An XPS study of space-exposed polyimide film

X-ray photoelectron spectroscopy was used to assess changes induced in the surface chemistry of Kapton H (Du Pont Trademark) polyimide strips exposed to the low Earth orbit environment at the space-end of the LDEF satellite on Experiment A0133. Results from flight specimens are compared to material cut from the same lot and stored at room temperature under standard atmospheric conditions. One notable difference was a nearly two-fold increase in surface oxygen (atom-percent composition) for specimens exposed to the direct space environment as compared to controls. In addition, space exposed specimens contained distinct silicon peaks (2p 103.2 eV and 2s 154.2 eV) in their spectra. These peaks were absent in control spectra. It is likely that the increase in oxygen is associated with the silicon. This is in agreement with reports of widespread silicon contamination throughout the LDEF satellite.

Lee, Myung↗
NASA NTRS2021

Emission Spectroscopy Characterization of Electrodes Species in the Freestream Flow at the NASA Ames Miniature Arc Jet II Facility

The second generation miniature Arc Jet (mARC II) is a subscale arc jet at NASA Ames Research Center that is undergoing initial characterization. During its operation, the electrodes used to produce continuous plasma flows deteriorate and the flow purity decreases. The present work reports the use of optical emission spectroscopy as a characterization tool for impurities in the plasma flow. The discussion is focused on the interpretation of spectroscopic measurements and their evolution under different testing conditions. Special emphasis is given to copper and silver, the main atomic elements of the electrodes. The highest rate of anode deterioration is found to occur during the arc jet ignition, while cathode deterioration is constant throughout the entire run. Based on the experimental spectra, a preliminary numerical characterization of the plasma temperature, enthalpy and number density is conducted.

facility↗
NASA NTRS1985

Interstellar Medium Absorption Profile Spectrograph (IMAPS)

The design and fabrication of an objective-grating echelle spectrograph to fly on sounding rockets and record spectra of stars from approximately 920 to 1120A with a resolving power lambda/delta lambda = 200,000 is discussed. The scientific purpose of the program is to observe, with ten times better velocity resolution than before, the plentiful absorption lines in this spectral region produced by atoms, ions and molecules in the interstellar medium. In addition, an important technical goal is to develop and flight-quality a new ultraviolet, photon-counting image sensor which has a windowless, opaque photocathode and a CCD bombarded directly by the accelerated photoelectrons. Except for some initial difficulties with the performance of CCDs, the development of the payload instrument is relatively straightforward and our overall design goals are satisfied. The first flight occurred in late 1984, but no data were obtained because of an inrush of air degraded the instrument's vacuum and caused the detector's high voltage to arc. A second flight in early 1985 was a complete success and obtained a spectrum of pi Sco. Data from this mission are currently being reduced; quick-look versions of the spectra indicate that excellent results will be obtained. Currently, the payload is being reconfigured to fly on a Spartan mission in 1988.

Jenkins, E. B.↗
DOE OSTI2020

Exciton energy transfer reveals spectral signatures of excited states in clusters

Electronic excitation and concomitant energy transfer leading to Penning ionization in argon–acetylene clusters generated in a supersonic expansion are investigated with synchrotron-based photoionization mass spectrometry and electronic structure calculations. Spectral features in the photoionization efficiency of the mixed argon–acetylene clusters reveal a blue shift from the 2 P 1/2 and 2 P 3/2 excited states of atomic argon. Analysis of this feature suggests that excited states of argon clusters transfer energy to acetylene, resulting in its ionization and successive evaporation of argon. Theoretically calculated Ar n (n = 2–6) cluster spectra are in excellent agreement with experimental observations, and provide insight into the structure and ionization dynamics of the clusters. A comparison between argon–acetylene and argon–water clusters reveals that argon solvates water better, allowing for higher-order excitons and Rydberg states to be populated. Furthermore, these results are explained by theoretical calculations of respective binding energies and structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Temperature and density dependence of Kr L-shell spectrum in hot dense plasmas

Kr L-shell spectroscopy modeling results are discussed in this paper, focusing on the n = 4 to n = 2 line transitions of Be- and Li-like Kr ions. Collisional radiative atomic kinetic and Stark-broadened spectral line shape calculations show electron temperature Te and density ne sensitivity in the spectrum. The combination of the Te dependence due to the relative intensity of Be-like to Li-like line emissions in the range from 1.5 to 3 keV and the ne sensitivity from the Stark broadening effect on the line shapes in the range from 5×1023 to 2×1024/ cc results in a spectrum that can be employed to diagnose Te and ne. Two different collisional radiative atomic kinetic models i.e., Prismspect [J. J. MacFarlane, et al., Int. Fusion Sci. Appl. Conf. Proc. 457 (2003)] and ABAKO [Florido, et al., PRE, 80, 056402 (2009)] produce similar results in level populations and spectra. In x-ray spectroscopy of implosion cores, this Kr L-shell spectrum may prove useful in an intermediate Te range in which Ar is too ionized for its K-shell to be of diagnostic value and Kr is not ionized enough for its K-shell emission to be useful.

Physics↗