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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

Wavelengths, f-Values, and Cross Sections in the UV Spectra of Astrophysical, Atoms, Ions, and Molecules

Data analysis for Fe III was completed in 2004. The new spectra give wavelengths and some energy levels for Fe III that are at least an order of magnitude more accurate than values in the literature. However, the data set is missing - because they are outside the wavelength range that we can study at Imperial College or with ancillary FT spectroscopy measurements at NIST - important transitions that would allow all energy levels to be determined with improved accuracy. We are assessing collaborations at other labs. We have made test runs with a number of cathodes (pure metals and alloys) in the Penning discharge source and selected four iron group (3d) elements, Cr, Mn, Co, and Ni, for further measurements. Cathodes of pure Cr and Co and an alloy of Ni were found to be best. Mn has not nm stably yet, and other cathode geometries or alloys may need to be assessed. Optimum Penning discharge (PD) lamp conditions (buffer gas, gas pressure, and current/voltage) were established for Co, and investigations are underway for Cr and Ni. Definitive measurements for Co await purchase of new mirrors and photomultiplier tubes that will improve signal to noise ratio. Our plan for the next year is to continue evaluating cathodes and operating conditions through March 05, and then to begin definitive measurements. The UV wavelength measurements made at Imperial College with the unique UV FT spectrometer will be complemented by visible and near IR range measurements at NIST in June and/or July. Approximately one year from now, we intend to visit Lund University to collaborate on lifetime measurements that will allow our branching ration data to be used to determine f-values.

Raymond, John C.↗
NASA NTRS2021

Venus' Mass Spectra Show Signs of Disequilibria in the Middle Clouds

We present a re‐examination of mass spectral data obtained from the Pioneer Venus Large Probe Neutral Mass Spectrometer. Our interpretations of differing trace chemical species are suggestive of redox disequilibria in Venus' middle clouds. Assignments to the data (at 51.3 km) include phosphine, hydrogen sulfide, nitrous acid, nitric acid, carbon monoxide, hydrochloric acid, hydrogen cyanide, ethane, and potentially ammonia, chlorous acid, and several tentative PxOy species. All parent ions were predicated upon assignment of corresponding fragmentation products, isotopologues, and atomic species. The data reveal parent ions at varying oxidation states, implying the presence of reducing power in the clouds, and illuminating the potential for chemistries yet to be discovered. When considering the hypothetical habitability of Venus' clouds, the assignments reveal a potential signature of anaerobic phosphorus metabolism (phosphine), an electron donor for anoxygenic photosynthesis (nitrite), and major constituents of the nitrogen cycle (nitrate, nitrite, ammonia, and N2).

disequilibria↗
NASA NTRS2016

Reflectivity Around the Gold M-Edges of X-ray Reflector of the Soft X-Ray Telescope Onboard ASTRO-H

The X-ray astronomy satellite ASTRO-H are equipped with two equivalent soft X-ray telescopes (SXT-I and SXT-S) which cover the energy band 0.3-12 keV. The X-ray reflectors of the SXTs are coated with a gold monolayer by means of the replication technique. A series of gold M absorption edges in the 2-4 keV band causes complex structures in the energy response of the SXTs. In the same band, there are astrophysically important emission lines from Si, Ar and S. Since the SXS has unprecedentedly high spectral resolution, we have measured the reflectivity around the gold M-edges in an extremely fine energy pitch at the synchrotron radiation facility KEK PF BL11-B, with the 2 eV pitch in 2100 eV to 4100 eV band that covers the entire series of the absorption edges (M-I through M-V) at grazing incident angles to the reflectors of 0.5, 0.8, 1.0, 1.2, 1.4 degree, and with a finer pitch of 0.25 eV in the 2200 eV to 2350 eV band where the two deepest M-IV and M-V edges are included. In the resultant reflectivity curves, we have clearly identified the fine structures associated with all the M-edges. Using these data, we calculated atomic scattering factor f1 as a function of X-ray energy, with which we have built the mirror response function which can be applied to the Suzaku spectra. As a result, we have found that discrepancy of the spectral model to the Suzaku data of 4U1630-472 (a black hole transient) and the Crab nebula around the M-edges are significantly reduced from those with the official Suzaku response.

ASTRO-H↗
NASA NTRS1984

Particle excitation, airglow and H2 vibrational disequilibrium in the atmosphere of Jupiter

The extreme ultraviolet EUV emission produced by particle excitation of the hydrogen atmospheres of Jupiter and Saturn is examined using model calculations to determine the nature of the energy deposition process and the effect of such processes on atmospheric structure. Tasks ranging from examination of phenomenologically related processes on Saturn and Titan to analysis of experimental laboratory data required to allow accurate modeling of emissions from hydrogenic atmospheres are investigated. An explanation of the hydrogen H Ly(alpha) bulge in Jupiter's emission from the equatorial region is presented. It is proposed that Saturn, rather then Titan is the major source of the extended hydrogen cloud. The atomic hydrogen detected at the rings of Saturn may originate predominantly from the same source. A cross calibration is obtained between the Pioneer 10 EUV photometer and the Voyager EUV spectrometers, thus providing a direct measure of the temporal morphology of Jupiter between a minimum and a maximum in solar activity. Atomic and molecular data required for the research program are analyzed. An extrapolation of conditions in the upper atmospheres of Jupiter and Saturn produces a predicted condition at Uranus in terms of excitation and hydrogen escape rates that may be observed at Voyager-Uranus encounter.

Shemansky, D. E.↗
NASA NTRS1995

Evaluation of Oxygen Interactions with Materials 3: Mission and induced environments

The Evaluation of Oxygen Interactions with Materials 3 (EOIM-3) flight experiment was developed to obtain benchmark atomic oxygen/material reactivity data. The experiment was conducted during Space Shuttle mission 46 (STS-46), which flew July 31 to August 7, 1992. Quantitative interpretation of the materials reactivity measurements requires a complete and accurate definition of the space environment exposure, including the thermal history of the payload, the solar ultraviolet exposure, the atomic oxygen fluence, and any spacecraft outgassing contamination effects. The thermal history of the payload was measured using twelve thermocouple sensors placed behind selected samples and on the EOIM-3 payload structure. The solar ultraviolet exposure history of the EOIM-3 payload was determined by analysis of the as-flown orbit and vehicle attitude combined with daily average solar ultraviolet and vacuum ultraviolet (UV/VUV) fluxes. The atomic oxygen fluence was assessed in three different ways. First, the O-atom fluence was calculated using a program that incorporates the MSIS-86 atmospheric model, the as-flown Space Shuttle trajectory, and solar activity parameters. Second, the oxygen atom fluence was estimated directly from Kapton film erosion. Third, ambient oxygen atom measurements were made using the quadrupole mass spectrometer on the EOIM-3 payload. Our best estimate of the oxygen atom fluence as of this writing is 2.3 +/- 0.3 x 10(exp 20) atoms/sq cm. Finally, results of post-flight X-ray photoelectron spectroscopy (XPS) surface analyses of selected samples indicate low levels of contamination on the payload surface.

Koontz, Steven L.↗
NASA NTRS1999

Laboratory Astrophysics Under the Ultraviolet, Visible, and Gravitational Astrophysics Research Program

Space-borne facilities, such as the Hubble Space Telescope, the recent ORFEUS-SPAS II Shuttle mission, and the soon-to-be launched Far Ultraviolet Spectroscopic Explorer, are providing data at ultraviolet wavelengths of unprecedented quality for spectroscopic studies of many astronomical environments. The first step in the analysis of these data involves the derivation of abundances. Obtaining accurate abundances is possible only when the correspondence between line strength and abundance is well known. The conversion of line strength to abundance relies on knowledge of transition probabilities and oscillator strengths, often obtained from mean lives branching fractions. For many ultraviolet transitions, the necessary atomic and molecular data are either relatively imprecise or not available. Our program addresses this need for accurate oscillator strengths; our focus is on transitions that probe the nature and composition of the interstellar medium.

Federman, Steven R.↗
DOE OSTI2024

ENDF/B-VIII.1: Photoatomic Reaction Sublibrary

The photo-atomic sublibrary aims to describe atomic photon cross section data, corresponding to the interaction between photons and the different atoms. For ENDF/B-VIII.1 we adopted the EPICS2023 EPDL evaluations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1995

An overview of the Evaluation of Oxygen Interactions with Materials 3 experiment: Space Shuttle Mission 46, July-August 1992

The Evaluation of Oxygen Interactions with Materials 3 (EOIM-3) flight experiment was developed to obtain benchmark atomic oxygen reactivity data and was conducted during Space Transportation System Mission 46 (STS-46), July 31 to August 7, 1992. In this paper, we present an overview of EOIM-3 and the results of the Lyndon B. Johnson Space Center (JSC) materials reactivity and mass spectrometer/carousel experiments. Mass spectrometer calibration methods are discussed briefly, as a prelude to a detailed discussion of the mass spectrometric results produced during STS-46. Mass spectrometric measurements of ambient O-atom flux and fluence are in good agreement with the values calculated using the MSIS-86 model of the thermosphere as well as estimates based on the extent of O-atom reaction with Kapton polyimide. Mass spectrometric measurements of gaseous products formed by O-atom reaction with C(13) labeled Kapton revealed CO, CO2, H2O, NO, and NO2. Finally, by operating the mass spectrometer so as to detect naturally occurring ionospheric species, we characterized the ambient ionosphere at various times during EOIM-3 and detected the gaseous reaction products formed when ambient ions interacted with the C(13) Kapton carousel sector. By direct comparison of the results of on-orbit O-atom exposures with those conducted in ground-based laboratory systems, which provide known O-atom fluences and translational energies, we have demonstrated the strong translational energy dependence of O-atom reactions with a variety of polymers. A 'line-of-centers' reactive scattering model was shown to provide a reasonably accurate description of the translational energy dependence of polymer reactions with O atoms at high atom kinetic energies while a Beckerle-Ceyer model provided an accurate description of O-atom reactivity over a three order-of-magnitude range in translational energy and a four order-of-magnitude range in reaction efficiency. Postflight studies of the polymer samples by x-ray photoelectron spectroscopy and infrared spectroscopy demonstrate that O-atom attack is confined to the near-surface region of the sample, i.e. within 50 to 100 A of the surface.

Koontz, Steven L.↗
DOE OSTI2023

Machine learning in analytical spectroscopy for nuclear diagnostics [Invited]

Analytical spectroscopy methods have shown many possible uses for nuclear material diagnostics and measurements in recent studies. In particular, the application potential for various atomic spectroscopy techniques is uniquely diverse and generates interest across a wide range of nuclear science areas. Over the last decade, techniques such as laser-induced breakdown spectroscopy, Raman spectroscopy, and x-ray fluorescence spectroscopy have yielded considerable improvements in the diagnostic analysis of nuclear materials, especially with machine learning implementations. These techniques have been applied for analytical solutions to problems concerning nuclear forensics, nuclear fuel manufacturing, nuclear fuel quality control, and general diagnostic analysis of nuclear materials. The data yielded from atomic spectroscopy methods provide innovative solutions to problems surrounding the characterization of nuclear materials, particularly for compounds with complex chemistry. Implementing these optical spectroscopy techniques can provide comprehensive new insights into the chemical analysis of nuclear materials. In particular, recent advances coupling machine learning methods to the processing of atomic emission spectra have yielded novel, robust solutions for nuclear material characterization. This review paper will provide a summation of several of these recent advances and will discuss key experimental studies that have advanced the use of analytical atomic spectroscopy techniques as active tools for nuclear diagnostic measurements.

Rao, Ashwin P. (ORCID:0000000319312568)↗
DOE OSTI2023

Real-space inversion and super-resolution of ultrafast scattering

Ultrafast scattering using x-rays or electrons is an emerging method to obtain structure dynamics at the atomic lengthscales and timescales. However, directly resolving in real-space atomic motions is inherently limited by the finite detector range and the probe energy. So, as a result, the time-resolved signal interpretation is mostly done in reciprocal space and relies on modeling and simulations of specific structures and processes. Here, we introduce a model-free approach to directly resolve scattering signals in real space, surpassing the diffraction limit, using scattering kernels and signal priors that naturally arise from the measurement constraints. We demonstrate the approach on simulated and experimental data, recover multiple atomic motions at sub-angstrom resolutions, and discuss the recovery accuracy and resolution limits versus signal fidelity. The approach offers a robust path to obtain high-resolution real-space information of atomic-scale structure dynamics using current time-resolved x-ray or electron scattering sources.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2008

Heavy Elements and Cool Stars

We report on progress in the analysis of high-resolution near-IR spectra of alpha Orionis (M2 Iab) and other cool, luminous stars. Using synthetic spectrum techniques, we search for atomic absorption lines in the stellar spectra and evaluate the available line parameter data for use in our abundance analyses. Our study concentrates on the post iron-group elements copper through zirconium as a means of investigating the slow neutron-capture process of nucleosynthesis in massive stars and the mechanisms that transport recently processed material up into the photospheric region. We discuss problems with the atomic data and model atmospheres that need to be addressed before theoretically derived elemental abundances from pre-supernova nucleosynthesis calculations can be tested by comparison with abundances determined from observations of cool, massive stars.

Wahlgren, Glenn M.↗
NASA NTRS1986

Protecting spacecraft from atomic oxygen

Findings are reported from Space Shuttle flights STS-3, 4, 5, and 8 regarding the degradation of materials exposed to atomic oxygen in low earth orbit. Atomic oxygen, a strong oxidizing agent, is present in low concentrations at such altitudes, and a spacecraft can sweep up considerable volumes of it at orbital velocities of 5 miles/s, especially if mission lifetimes are measured in years or decades. Material loss has been found to be a function of the fluence (the number of oxygen atoms striking a unit area of surface over a given period); fluence is proportional to atmospheric density, orbital velocity, surface attitude relative to velocity vector, and duration of exposure. Atmospheric density depends first on altitude and second on the phase of the 11-year solar activity cycle. Metals, in the experiments, reacted less than nonmetals. Graphs and a table are included, permitting calculation of how far a surface of various organic materials will recede on a spacecraft in low earth orbit. The limited data base on atomic oxygen interactions with materials, using both Shuttle flight experiments and ground-based facilities must be augmented. Space Station design is imminent, and the understanding of such interactions is critical to the success of that design.

Leger, L. J.↗
NASA NTRS2020

Effect of Ram and Zenith Exposure on the Optical Properties of Polymers in Space

The temperature of spacecraft is influenced by the solar absorptance and thermal emittance of the external spacecraft materials in addition to heat generated within the spacecraft. Optical and thermal properties can degrade in the low Earth orbital (LEO) space environment where spacecraft external materials are exposed to various forms of radiation, thermal cycling, and atomic oxygen. One objective of the Polymers and Zenith Polymers Experiments was to determine the effect of LEO space exposure on the optical properties of various spacecraft polymers. These experiments were flown as part of the Materials International Space Station Experiment 7 (MISSE 7) mission on the exterior of the International Space Station (ISS) for 1.5 years. Samples were flown in ram, wake and zenith directions, receiving varying amounts of atomic oxygen and solar radiation. Total and diffuse reflectance, and transmittance, of flight and corresponding control samples were obtained using a Cary 5000 UV-Vis-NIR Spectrophotometer. Integrated air mass zero solar absorptance (as) of the flight and control ram and zenith samples were computed and compared. Optical and atomic oxygen erosion data are compared with similar MISSE 2 polymers exposed to space for four years. Results show that prolonged space exposure increases the solar absorptance of some materials. Knowing which polymers remain stable will benefit future spacecraft design.

Atomic oxygen, erosion, space radiation, optical p↗
NASA NTRS1987

Rate constant for the reaction of atomic oxygen with phosphine at 298 K

The rate constant for the reaction of atomic oxygen with phosphine has been measured at 298 K using flash photolysis combined with time-resolved detection of O(3P) via resonance fluorescence. Atomic oxygen was produced by flash photolysis of N2O or NO highly diluted in argon. The results were shown to be independent of (PH3), (O), total pressure and the source of O(3P). The mean value of all the experiments is k1 = (3.6 + or -0.8) x 10 to the -11th cu cm/s (1 sigma). Two previous measurements of k1 differed by more than an order of magnitude, and the results support the higher value obtained in a discharge flow-mass spectrometry study. A comparison with rate data for other atomic and free radical reactions with phosphine is presented, and the role of these reactions in the aeronomy or photochemistry of Jupiter and Saturn is briefly considered.

Stief, L. J.↗
NASA NTRS1992

Materials And Processes Technical Information System (MAPTIS) LDEF materials database

The Materials and Processes Technical Information System (MAPTIS) is a collection of materials data which was computerized and is available to engineers in the aerospace community involved in the design and development of spacecraft and related hardware. Consisting of various database segments, MAPTIS provides the user with information such as material properties, test data derived from tests specifically conducted for qualification of materials for use in space, verification and control, project management, material information, and various administrative requirements. A recent addition to the project management segment consists of materials data derived from the LDEF flight. This tremendous quantity of data consists of both pre-flight and post-flight data in such diverse areas as optical/thermal, mechanical and electrical properties, atomic concentration surface analysis data, as well as general data such as sample placement on the satellite, A-O flux, equivalent sun hours, etc. Each data point is referenced to the primary investigator(s) and the published paper from which the data was taken. The MAPTIS system is envisioned to become the central location for all LDEF materials data. This paper consists of multiple parts, comprising a general overview of the MAPTIS System and the types of data contained within, and the specific LDEF data element and the data contained in that segment.

Davis, John M.↗
NASA NTRS1999

Research on Spectroscopy, Opacity, and Atmospheres

A web site has been set up to make the calculations accessible; (i.e., cfakus.harvard.edu) This data can also be accessed by FTP. It has all of the atomic and diatomic molecular data, tables of distribution function opacities, grids of model atmospheres, colors, fluxes, etc, programs that are ready for distribution, and most of recent papers developed during this grant. Atlases and computed spectra will be added as they are completed. New atomic and molecular calculations will be added as they are completed. The atomic programs that had been running on a Cray at the San Diego Supercomputer Center can now run on the Vaxes and Alpha. The work started with Ni and Co because there were new laboratory analyses that included isotopic and hyperfine splitting. Those calculations are described in the appended abstract for the 6th Atomic Spectroscopy and oscillator Strengths meeting in Victoria last summer. A surprising finding is that quadrupole transitions have been grossly in error because mixing with higher levels has not been included. All levels up through n=9 for Fe I and II, the spectra for which the most information is available, are now included. After Fe I and Fe II, all other spectra are "easy". ATLAS12, the opacity sampling program for computing models with arbitrary abundances, has been put on the web server. A new distribution function opacity program for workstations that replaces the one used on the Cray at the San Diego Supercomputer Center has been written. Each set of abundances would take 100 Cray hours costing $100,000.

Kurucz, Robert L.↗
DOE OSTI2025

AQuaRef: machine learning accelerated quantum refinement of protein structures

Cryo-EM and X-ray crystallography provide crucial experimental data for obtaining atomic-detail models of biomacromolecules. Refining these models relies on library-based stereochemical data, which, in addition to being limited to known chemical entities, do not include meaningful noncovalent interactions. Quantum mechanical (QM) calculations could alleviate these issues but are too expensive for large molecules. Here we present a novel AI-enabled Quantum Refinement (AQuaRef) based on AIMNet2 machine learned interatomic potential (MLIP) mimicking QM at substantially lower computational costs. By refining 41 cryo-EM and 30 X-ray structures, we show that this approach yields atomic models with superior geometric quality compared to standard techniques, while maintaining an equal or better fit to experimental data. Notably, AQuaRef aids in determining proton positions, as illustrated in the challenging case of short hydrogen bonds in the parkinsonism-associated human protein DJ-1 and its bacterial homolog YajL.

Zubatyuk, Roman [Carnegie Mellon University, Pitts↗