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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
NASA NTRS1990

LIF and emission studies of copper and nitrogen

A technique is developed to determine the rotational temperature of nitrogen molecular ion, N2(+), from the emission spectra of B-X transition, when P and R branches are not resolved. Its validity is tested on simulated spectra of the 0-1 band of N2(+) produced under low resolution. The method is applied to experimental spectra of N2(+) taken in the shock layer of a blunt body at distances of 1.91, 2.54, and 3.18 cm from the body. The laser induced fluorescence (LIF) spectra of copper atoms is analyzed to obtain the free stream velocities and temperatures. The only broadening mechanism considered is Doppler broadening. The temperatures are obtained by manual curve fitting, and the results are compared with least square fits. The agreement on the average is within 10 percent.

Akundi, Murty A.↗
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 NTRS1995

High-resolution measurements of the K-alpha spectra of low-ionizationm species of iron: A new spectral signature of nonequilibrium ionization conditions in young supernova remnants

We present the first systematic laboratory measurements of high-resolution K-alpha spectra of intermediate ions of iron, Fe X-XVII. These lines are not produced in collisional equilibrium plasmas because of the relevant charge states cannot exist at the high electron temperatures required for appreciable excitation of the K-alpha transitions. However, they can provide excellent spectral diagnostics for nonequilibrium ionization conditions, such the ionizing plasmas of young supernova remnants. To facilitate the line identifications, we compare our spectra with theoretical atomic calculations performed using multiconfiguration parametric potential and Dirac-Fock atomic codes. Our measurements also allow direct comparison with time-dependent ionization balance calculations for ionizing plasmas, and good agreement is found.

Decaux, V.↗
DOE OSTI2021

Computational optimal transport for molecular spectra: The fully discrete case

In this study, the use of computational optimal transport is investigated as a tool for comparing two molecular spectra. Unlike other techniques for comparing molecular spectra in a pattern-recognition framework, transport distances simultaneously encode information about line positions and intensities. In addition, it is shown that transport distances are a useful alternative to Euclidean distances as Euclidean distances are based on line-by-line comparisons, while transport distances reflect broader features of molecular spectra and adequately compare spectra with different resolutions. This paper includes a tutorial on the use of optimal transport and investigates several well-chosen examples to illustrate the utility of computational optimal transport for comparing molecular spectra.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Hamiltonian parameter inference from resonant inelastic x-ray scattering with active learning

Identifying model Hamiltonians is a vital step toward creating predictive models of materials. Here, in this study, we combine Bayesian optimization with the EDRIXS numerical package to infer Hamiltonian parameters from resonant inelastic x-ray scattering (RIXS) spectra within the single atom approximation. To evaluate the efficacy of our method, we test it on experimental RIXS spectra of NiPS 3 , NiCl 2 , Ca 3 ⁢LiOsO 6 , and Fe 2⁢ O 3 , and demonstrate that it can reproduce results obtained from hand-fitted parameters to a precision similar to expert human analysis while providing a more systematic mapping of parameter space. Our work provides a key first step toward solving the inverse scattering problem to extract effective multi-orbital models from information-dense RIXS measurements, which can be applied to a host of quantum materials. We also propose atomic model parameter sets for two materials, Ca 3⁢ LiOsO 6 and Fe 2⁢ O 3 , that were previously missing from the literature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1980

Emission line shapes produced by dissociative excitation of atmospheric gases

The spectral line shapes of the radiation emitted from O atoms produced by the dissociative excitation of O2, CO, CO2 and NO are investigated. Doppler line shapes are derived from time-of-flight spectra of O (5S0) atoms decaying by the emission of 1356-A radiation after being produced in electron impact experiments at incident electron energies from 25 to 300 eV. It is shown that the effective line width of the radiation is large compared with the Doppler absorption widths of ambient O atoms in both photoelectron and auroral excitation, and thus the dissociatively excited component of the O I 1304-A airglow will behave as though it were optically thin, exhibiting pronounced limb brightening effects and a scale height characteristic of the initial, local source function. It is found that the average kinetic energy of the dissociation fragments inferred from O I (5S) time-of-flight spectra is in good agreement with that of O I (3S) atoms in the electron impact dissociation of CO2, although not for O2. Finally, it is suggested that although electron impact dissociation of CO and CO2 contributes to the 1304-A emission in the upper atmosphere of Venus, it cannot be the dominant source of this radiation since the absolute cross sections for the reaction are too small.

Zipf, E. C.↗
DOE OSTI2020

Effect of Impurity Atoms on Thermonuclear Yield

The presence of impurity atoms in an inertial confinement fusion (ICF) implosion can greatly affect the burning of the thermonuclear fuel. This is a serious concern for attaining ignition as high atomic number atoms, such as carbon, can mix into the hot spot and reach the deuterium–tritium (DT) fuel, absorb energy from the implosion, and radiate away that energy. The temperature of the DT fuel drops and reduces the reactivity of the fuel resulting in lower thermonuclear yield. Fuel impurities can also be a useful diagnostic as when higher-Z atoms, such as Ar, Kr, and Xe, are purposefully mixed into the fuel. From the spectra emitted by these atoms, the temperature and density of the fuel can be deduced. The long history of using such tracer atoms by the national ICF program shows the great advances in experimental technique, diagnostic instruments, and atomic-physics modeling over the past 50 years. A particular set of experiments, the “High-Z” campaign, is reviewed in depth as this was the most systematic study of tracer element composition and quantity ever reported. Difficulties in interpreting the results of those experiments due to the limited code capabilities at that time are discussed. A main concern for the High-Z campaign was the then current state of non-Local Thermodynamic Equilibrium (nLTE) atomic physics models. The present state of nLTE modeling and its implementation in Los Alamos’s multi-physics codes is discussed in this report. To further the understanding of the complex interaction of high-Z atoms in the gas, a survey of relevant existing experimental platforms at the National Ignition Facility (NIF) and the Omega Laser Facility are presented along with the current state of pertinent diagnostics at NIF and Omega. This review concludes with a discussion of the trade-off available between temperature and volume of the imploded ICF capsule with the goal of maximizing the total yield.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Elucidating the Atomic Structures of the Gel Layer Formed during Aluminoborosilicate Glass Dissolution: An Integrated Experimental and Simulation Study

The altered glasses produced during aqueous dissolution of silicate and borosilicate glasses are among the most complex structures to understand at the atomic level due to their amorphous nature, random porosity and various levels of hydration. In this study, we gained insights of the complex atomic structures of altered aluminoborosilicate glasses by combining a range of experimental and computational approaches. The altered glasses were prepared by dissolution of three glasses with varying level of alumina in acid for 7 days. A comprehensive set of experimental [elemental analysis, high-energy X-ray diffraction, 29 Si and 27 Al solid-state nuclear magnetic resonance (NMR), and O 1s X-ray photoelectron spectroscopy (XPS)] and modeling (molecular dynamics (MD) simulations using non-reactive and reactive force fields) were used to study the atomic structures of these altered glasses. Elemental analysis showed that most of the B in the pristine glasses was leached into the solution and was not contained in the altered glass. The 29 Si and 27 Al solid-state NMR spectra revealed that the altered glasses have more polymerized silicate network as compared to those in the pristine glasses due to the reformation of linkages among Si and Al oxygen polyhedral in the altered glasses. The bridging and non-bridging (or hydroxyl O) atoms in the altered glasses were also quantified from their O 1s XPS spectra. Atomic structure models of the altered glasses were constructed by using MD simulations using the reactive force field based on the compositional information obtained from experiments. Various pore structures were generated using the charge-scaling (CS) method by using different initial densities and CS temperatures; the best CS parameters of each alternated glass were then determined by comparing with the experimental structure factors obtained from high energy X-ray diffraction. Pore and the atomic structures and vibrational properties around these pore surfaces were analyzed. Furthermore, these results from this comprehensive study thus provides a realistic insight into the pore morphology, atomic structure, and vibrational properties of altered glasses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1988

Cosmic-ray energy spectra between 10 and several hundred GeV per atomic mass unit for elements from Ar-18 to Ni-28 - Results from HEAO 3

Results from the Heavy Nuclei experiment on HEAO 3 are used to determine the primary abundances of Ni and Fe. Ni and Fe are found to have nearly constant relative abundances over the interval of 10 to about 500 GeV per amu. Individual secondary elements derived principally from interactions of primary Fe nuclei are shown to display a power-law decrease in relative abundance up to about 150 GeV per amu. Ar/Fe and Ca/Fe ratios of 2.6 + or - 0.7 percent and 8.8 + or - 0.7 percent, respectively, are found, confirming a fractionation of source abundances in which elements with high values of the first ionization potential are depleted relative to those with low first ionization potential.

Binns, W. R.↗
NASA NTRS2020

X-ray Spectra of the Fe-L Complex II: Atomic Data Constraints from the EBIT Experiment and X-Ray Grating Observations of Capella

The Hitomi results for the Perseus cluster have shown that accurate atomic models are essential to the success of X-ray spectroscopic missions and just as important as the store of knowledge on instrumental calibration and astrophysical modeling. Preparing the models requires a multifaceted approach, including theoretical calculations, laboratory measurements, and calibration using real observations. In a previous paper, we presented a calculation of the electron impact cross sections on the transitions forming the Fe-L complex. In the present work, we systematically tested the calculation against cross-sections of ions measured in an electron beam ion trap experiment. A two-dimensional analysis in the electron beam energies and X-ray photon energies was utilized to disentangle radiative channels following dielectronic recombination, direct electron-impact excitation, and resonant excitation processes in the experimental data. The data calibrated through laboratory measurements were further fed into a global modeling of the Chandra grating spectrum of Capella. We investigated and compared the fit quality, as well as the sensitivity of the derived physical parameters to the underlying atomic data and the astrophysical plasma modeling. We further list the potential areas of disagreement between the observations and the present calculations, which, in turn, calls for renewed efforts with regard to theoretical calculations and targeted laboratory measurements.

Liyi Gu↗
NASA NTRS1996

Spectroscopy Made Easy: A New Tool for Fitting Observations with Synthetic Spectra

We describe a new software package that may be used to determine stellar and atomic parameters by matching observed spectra with synthetic spectra generated from parameterized atmospheres. A nonlinear least squares algorithm is used to solve for any subset of allowed parameters, which include atomic data (log gf and van der Waals damping constants), model atmosphere specifications (T(sub eff, log g), elemental abundances, and radial, turbulent, and rotational velocities. LTE synthesis software handles discontiguous spectral intervals and complex atomic blends. As a demonstration, we fit 26 Fe I lines in the NSO Solar Atlas (Kurucz et al.), determining various solar and atomic parameters.

Valenti, J. A.↗
NASA NTRS1999

The Conductor-Dielectric Junctions in a Low Density Plasma

A conductor-dielectric junction exposed to the space environment is a frequent spacecraft design feature. Due to spacecraft charging and/or solar array operation, the conductor can acquire a high potential with respect to the surrounding plasma. If this potential is positive the insulators adjacent to exposed conductors can collect current as if they were conductors themselves. This phenomenon, called snapover, results in a substantial increase in current collection, and may even result in a glow discharge if the potential is high enough. If a conductor has a negative potential, arcing can occur at the site of a junction. Both of these phenomena negatively affect spacecraft operation. To prevent negative consequences, the physical mechanisms of snapover and arc inception require investigation. In this paper, results are presented of an experimental and theoretical study of snapover, glow discharge, and arc phenomena for different materials immersed in argon or xenon plasmas. The effect of snapover is investigated for several metal-dielectric junctions: copper-teflon, copper-Kapton, copper-glass, aluminum-teflon, aluminum-Kapton, steel-teflon, anodized aluminum with pinholes, and copper-ceramics. I-V curves are measured and snapover inception voltages, essential parameters (increase in current and collection area due to secondary electrons), and glow discharge inception thresholds are determined. Optical spectra are obtained for glow discharges in both argon and xenon plasmas. These spectra provide information regarding atomic species entrapped in the glow region. Some spectral lines can be used to estimate plasma parameters in the discharge area. A video-camera and linear array were used to confirm that snapover inception is accompanied by very low intensity visible light emission. This result seems to be important for the estimate of the light pollution around spacecraft. Optical spectra (wavelengths 380-650 nm) of arcs are also obtained on a negatively biased chromic acid anodized aluminum plate immersed in low density argon and xenon plasmas. Analysis of these spectra confirms our earlier findings that aluminum atoms are ejected from the arc site. Moreover, it is found that chromium atoms are also quite abundant in the arc plasma. It is believed that the latter results contribute considerably to the understanding of processes of plasma contamination caused by arcing.

Vayner, Boris↗
NASA NTRS2006

Calculation of Atomic Data for NASA Missions

The interpretation of cosmic spectra relies on a vast sea of atomic data which are not readily obtainable from analytic expressions or simple calculations. Rather, their evaluation typically requires state-of-the-art atomic physics calculations, with the inclusion of weaker effects (spin-orbit and configuration interactions, relaxation, Auger broadening, etc.), to achieve the level of accuracy needed for use by astrophysicists. Our NASA-supported research program is focused on calculating data for three important atomic processes, 1) dielectronic recombination (DR), 2) inner-shell photoabsorption, and 3) fluorescence and Auger decay of inner-shell vacancy states. Some additional details and examples of our recent findings are given.

Gorczyca, T. W.↗
NASA NTRS1994

Measured and calculated spectral radiation from a blunt body shock layer in an arc-jet wind tunnel

Spectra of the shock layer radiation incident on the stagnation point of a blunt body placed in an arc-jet wind tunnel were measured over the wavelength range from 600 nm to 880 nm. The test gas was a mixture of 80 percent air and 20 percent argon by mass, and the run was made in a highly nonequilibrium environment. The observed spectra contained contributions from atomic lines of nitrogen, oxygen, and argon, of bound-free and free-free continua, and band systems of N2 and N2(+). The measured spectra were compared with the synthetic spectra, which were obtained through four steps: the calculation of the arc-heater characteristics, of the nozzle flow, of the blunt-body flow, and the nonequilibrium radiation processes. The results show that the atomic lines are predicted approximately correctly, but all other sources are underpredicted by orders of magnitude. A possible explanation for the discrepancy is presented.

Babikian, Dikran S.↗
NASA NTRS1980

Unresolved mossbauer hyperfine spectra

Program analyzes unresolved Mossbauer hyperfine spectra resulting from existence of several local environments in dilute binary iron alloys. It has proven useful in studying effects of imputity atoms on iron Mossbauer spectra.

Schiess, J. R.↗
NASA NTRS1999

Coronal Structure: Legacy of EUVE

During this past school year, the Smithsonian Predoctoral student, Jorge Sanz-Forcada, began work on this Ph.D. thesis research which will focus on the coronal structure of active cool binary stars. He developed a semi-automatic algorithm to derive the emission measure distribution from EUVE spectra using the latest atomic parameters. To date, he has modeled our long EUVE pointing on lambda And that occurred in the fall of 1998, and has reduced and modeled spectra from EUVE pointings on AR Lac and UX Ari. Some of these observations were made simultaneous with the Advanced Satellite for Cosmology and Physics (ASCA) satellite, and the results reported at the HEAD meeting in Spring 1999.

Dupree, Andrea K,↗