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NASA NTRS1974

Model atmospheres for cool stars

This report contains an extensive series of model atmospheres for cool stars having a wide range in chemical composition. Model atmospheres (temperature, pressure, density, etc.) are tabulated, along with emergent energy flux distributions, limb darkening, and information on convection for selected models. The models are calculated under the usual assumptions of hydrostatic equilibrium, constancy of total energy flux (including transport both by radiation and convection) and local thermodynamic equilibrium. Some molecular and atomic line opacity is accounted for as a straight mean. While cool star atmospheres are regimes of complicated physical conditions, and these atmospheres are necessarily approximate, they should be useful for a number of kinds of spectral and atmospheric analysis.

Johnson, H. R.↗

NASA NTRS2007

Preliminary Experimental Measurements for a Gallium Electromagnetic (GEM) Thruster

A low-energy gallium plasma source is used to perform a spatially and temporally broad spectroscopic survey in the 220-520 nm range. Neutral, singly, and doubly ionized gallium are present in a 20 J, 1.8 kA (peak) arc discharge operating with a central cathode. When the polarity of the inner electrode is reversed the discharge current and arc voltage waveforms remain similar. Utilizing a central anode configuration, multiple Ga lines are absent in the 270-340 nm range. In addition, neutral and singly ionized Fe spectral lines are present, indicating erosion of the outer electrode. With graphite present on the insulator to facilitate breakdown, line emission from the gallium species is further reduced and while emissions from singly and doubly ionized carbon atoms and molecular carbon (C2) radicals are observed. These data indicate that a significant fraction of energy is shifted from the gallium and deposited into the various carbon species.

Thomas, Robert E.↗

NASA NTRS2004

A New Look at Stellar Outflows: Spitzer Observations of the HH 46/47 System

We present the Early Release Observations of the HH 46/47 system and HH 46 IRS 1 source, taken with the three instruments aboard the Spitzer Space Telescope. The optically invisible southwest lobe, driven by the HH 47C bow shock, is revealed in full detail by the Infrared Array Camera (IRAC) images and displays a 'loop'-like morphology. Both of the mid-infrared outflow lobes are narrower than those of CO flow. We believe that the combination of emission by H2 rotational lines [S(11)-S(4)] and some atomic lines, which fall within the IRAC passbands, are responsible for the bulk of the observed emission, although contributions from the 3.3, 6.2, and 7.7 micron polycyclic aromatic hydrocarbon emission bands cannot be ruled out. Weak spectral features corresponding to these emitters are present in the Infrared Spectrograph spectrum of the HH 47A bow shock. The spectrum of HH 46 IRS 1 shows remarkable similarities to those of high-mass protostars, which include the presence of H2O, CO2, CH4, and possibly NH3, CH3OH, and ices. The high ice abundances and the lack of signs of thermal processing indicate that these ices in the envelope are well shielded from the powerful outflow and its cavity. Emission from the Bok globule at 24 micron is detected and displays a similar structure to that observed at 8 micron.

Herbig-Haro objects↗

NASA NTRS2010

High-Energy Electron-Ion and Photon-Ion Collisions: Status and Challenges

Non-LTE plasmas are ubiquitous in objects studied in the UV and X-ray energy bands. Collisional and photoionization cross sections for atoms and ions are fundamental to our ability to model such plasmas. Modeling is key in the X-ray band, where detector properties and limited spectral resolution limit the ability to measure model-independent line strengths, or other spectral features. Much of the motivation for studying such collisions and many of the tools, are not new. However, the motivation for such studies and their applications, have been affected by the advent of X-ray spectroscopy with the gratings on Chandra and XMM-Newton. In this talk I will review this motivation and describe the tools currently in use for such studies. I will also describe some current unresolved problems and the likely future needs for such data.

Kallman, Timothy R.↗

NASA NTRS2018

Characterization of CO Thermochemistry in Incident Shockwaves

Incident shock waves in pure CO have been characterized in the Electric Arc Shock Tube facility at NASA Ames Research Center. Spectrally and spatially resolved emission spectra characterize radiative signatures from CO in the VUV (Vacuum Ultra-Violet) and mid-infrared and atomic carbon and C2 in the visible. CO absorption of a single vibrational line is also measured with a tunable diode laser. The experimental data analyzed here are at a pressure of 0.25 Torr in the driven section and span a shock velocity range from 3.4-9.5 km/s. The emission and absorption signals are analyzed to extract temperature relaxation behind the shock which is used to derive the rate of CO dissociation. The emission spectra are compared to results using different kinetic parameters for CO dissociation and C2 dissociation and exchange. Different rates from the literature are found to match the data from 3.4-6.6 km/s and 6.6-9.5 km/s. Areas for improvement in CO and C2 radiation modeling are suggested on the basis of the analysis.

Entry↗

DOE OSTI2024

Statistical data analysis of x-ray spectroscopy data enabled by neural network accelerated Bayesian inference

Bayesian inference applied to x-ray spectroscopy data analysis enables uncertainty quantification necessary to rigorously test theoretical models. However, when comparing to data, detailed atomic physics and radiation transfer calculations of x-ray emission from non-uniform plasma conditions are typically too slow to be performed in line with statistical sampling methods, such as Markov Chain Monte Carlo sampling. Furthermore, differences in transition energies and x-ray opacities often make direct comparisons between simulated and measured spectra unreliable. Here, we present a spectral decomposition method that allows for corrections to line positions and bound–bound opacities to best fit experimental data, with the goal of providing quantitative feedback to improve the underlying theoretical models and guide future experiments. In this work, we use a neural network (NN) surrogate model to replace spectral calculations of isobaric hot-spots created in Kr-doped implosions at the National Ignition Facility. The NN was trained on calculations of x-ray spectra using an isobaric hot-spot model post-processed with Cretin, a multi-species atomic kinetics and radiation code. The speedup provided by the NN model to generate x-ray emission spectra enables statistical analysis of parameterized models with sufficient detail to accurately represent the physical system and extract the plasma parameters of interest.

47 OTHER INSTRUMENTATION↗

NASA NTRS2004

EIT in resonator chains: similarities and differences with atomic media

We theoretically study a parallel configuration of two interacting whispering gallery mode optical resonators and show a narrow-band modal structure as a basis for a widely tunable delay line. For the optimum coupling configuration the system can possess an unusually narrow spectral feature with a much narrower bandwidth than the loaded bandwidth of each individual resonator.

electromagnetically induced transparency↗

DOE OSTI2025

Comparison of atomized mass and crater volume in laser ablation

The extent and dynamics of laser ablation are typically studied using crater imaging or by invoking the relationship between atomic emission and the mass removed. The former is a static view of a dynamic process and requires the accumulation of multiple shots in one location. The latter is complex and not absolute without calibration of the optical system with a standard of spectral radiance. We measure the mass of the atomized plume by laser atomic-absorption spectroscopy at 2 µs without external mass calibration; mass uncertainty in laser-ablation atomic absorption spectroscopy (LA-AAS) results from uncertainties in line area fitting, tabulated oscillator strengths, and partition functions as well as a <10% underrepresentation of the mass due to treating the plasma as a single thermodynamic equilibrium. The LA-AAS-measured mass pertains to the atoms in the probed charge states and does not include condensed or molecular species. The ablation efficiency at 300 mbar of helium varies significantly between the two focusing conditions used. A comparison of crater-derived masses and LA-AAS masses suggests that more defocused ablation may result in significant redeposition of material in the crater, distorting the conclusions from drilling studies and crater imaging. More focused ablation conditions result in crater-derived masses that exceed those measured with LA-AAS and suggest melt expulsion or phase explosion.

Merten, Jonathan [Arkansas State University, Jones↗

DOE OSTI2024

The motional Stark effect diagnostic for ITER

An overview of the plans for the motional Stark effect (MSE) diagnostic installation on the International Thermonuclear Experimental Reactor (ITER) is presented. The MSE diagnostic uniquely provides spatially localized magnetic field measurements inside the plasma. These are used to constrain equilibrium reconstructions to determine q(r), the safety factor as a function of minor radius. Meeting the system requirements to deliver q-profiles and related quantities with the specified radial resolution of 20 points over the minor radius, 10 ms time resolution, and better than 10% accuracy is challenging. MSE systems observe the D/H-α emission near 656.3 nm from neutral beams. As the beam atoms traverse the magnetic field, B⃗, at high velocity, v⃗, they experience a Lorentz electric field, v⃗×B⃗, which causes the spectral emission to be split and polarized due to the Stark effect. Traditional MSE-LP (line polarization) measurements determine the direction of the magnetic field in the observation volume using polarimetric analysis of the detected light. The harsh conditions of ITER are expected to deposit thin films of contaminants on the first mirror, which would alter the polarization state of reflected light significantly. On ITER, the combination of high magnetic field strength and high energy beams makes the Stark spectrum resolution suitable for the determination of the magnetic field magnitude from the line shift, so this approach has been selected. Every aspect of the measurement system must be planned for the burning plasma environment and carefully analyzed ahead of time. Current status and plans for the system are presented.

Instruments & Instrumentation↗

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 NTRS1971

Interstellar molecules and dense clouds.

Current knowledge of the interstellar medium is discussed on the basis of recent published studies. The subjects considered include optical identification of interstellar molecules, radio molecular lines, interstellar clouds, isotopic abundances, formation and disappearance of interstellar molecules, and interstellar probing techniques. Diagrams are plotted for the distribution of galactic sources exhibiting molecular lines, for hydrogen molecule, hydrogen atom and electron abundances due to ionization, for the densities, velocities and temperature of NH3 in the direction of Sagitarius B2, for the lower rotational energy levels of H2CO, and for temporal spectral variations in masing H2O clouds of the radio source W49. Future applications of the maser and of molecular microscopy in this field are visualized.

Rank, D. M.↗

NASA NTRSDate not supplied

On Computationally Efficient Radiative Transfer Calculations for Three-dimensional Entry Problems

The current work presents an efficient simulation framework for rigorously modeling radiative fields emanating from non-equilibrium planetary entry flows in complex three-dimensional domains. Key to this endeavor is adoption of finite-volume discretization in lieu of brute-force ray tracing. This change in conjunction with mesh sweeping and Lebedev-type quadrature for angular integration allows spatial-angular resolution of radiative transfer to be performed in a computationally tractable manner. Additionally, a new methodology has been established to build standalone reduced-order spectral databases for non-equilibrium radiative properties that can be applied to a broad range of hypersonic planetary entry problems with minimal loss in accuracy. The efficacy of the new framework has been demonstrated on the atomic nitrogen radiative system. The resulting reduced-order model requires three orders-of-magnitude fewer spectral evaluations and results in a 95% decrease in memory footprint. A comparative study for representative forebody and afterbody lines-of-sight from Stardust, FIRE II, and meteor entries into the Earth atmosphere indicates that both total intensity variation and detailed spectra can be retrieved with as few as 625 reduced-order groups (contrasting with the 100,000 frequencies in the original full set model). Similarly, three-dimensional predictions of radiative heating experienced by the Orion forebody are in excellent agreement with legacy radiation solvers while requiring only a sliver (roughly 0.5%) of computing wall time.

3D radiation↗

NASA NTRSDate not supplied

On Computationally Efficient Radiative Transfer Calculations for Three-Dimensional Entry Problems

3D radiation↗

NASA NTRS1979

Line-by-line transport calculations for Jupiter entry probes

Line-by-line calculations of the radiative transport for a condition near peak heating for entry of the Galileo probe into the Jovian atmosphere are described. The discussion includes a thorough specification of the atomic and molecular input data used in the calculations that could be useful to others working in the field. The results show that the use of spectrally averaged cross sections for diatomic absorbers such as CO and C2 in the boundary layer can lead to an underestimation (by as much as 29%) of the spectral flux at the stagnation point. On the other hand, for the turbulent region near the cone frustum on the probe, the flow tends to be optically thin, and the spectrally averaged results commonly used in coupled radiative transport-flow field calculations are in good agreement with the present line-by-line results. It is recommended that these results be taken into account in sizing the final thickness of the Galileo's heat shield.

Arnold, J. O.↗

NASA NTRS2002

Measurement of Absolute Excitation Cross Sections in Highly-Charged Ions Using Electron Energy Loss and Merged Beams

There is increasing emphasis during this decade on understanding energy balance and phenomena observed in high electron temperature plasmas. The UV spectral return from FUSE, the X-ray spectral return from the HETG on Chandra and the LETGS 011 XMM-Newton are just beginning. Line emissions are almost entirely from highly-charged ions (HCIs) of C, N, 0, Ne, Mg, S, Si, Ca, and Fe. The Constellation-X mission will provide X-ray spectroscopy up to photon energies of 0.12 nm (10 keV) where primary line emitters will be HCIs. A variety of atomic parameters are required to model the stellar and solar plasma. These include cross sections for excitation, ionization, charge-exchange, X-ray emission, direct and indirect recombination, lifetimes and branching ratios, and dependences on l, m mixing by external E and B fields. In almost all cases the atomic quantities are calculated, and few comparisons to experiment have been carried out. Collision strengths and Einstein A-values are required to convert the observed spectral intensities to electron temperatures and densities in the stellar plasma. The JPL electron energy-loss and merged beam approach has been used to measure absolute collision strengths in a number of ions, with critical comparison made to the best available theories.

Chutjian, A.↗

DOE OSTI2020

Velocity-Map Imaging and Magnetic-Bottle Photoelectron Spectroscopy of [SeCCH] – : Electronic Properties and Spin–Orbit Splitting

In this work, the recently synthesized acetylide compound KSeCCH containing the main group element selenium within the novel and in crystalline form unprecedented [SeCCH] – anion was successfully investigated in the gas phase by high-resolution velocity-map imaging (VMI) and magnetic-bottle (MB) photoelectron spectroscopy coupled with an electrospray ionization source. Both VMI and MB spectra exhibited identical electron affinities (EA, 2.517 ± 0.002 eV), spin–orbit coupling (SOC) splittings (1492 ± 20 cm –1 ), and Se–C stretching frequencies (573 ± 20 cm –1 ) of the corresponding neutral tetra-atomic radical [SeCCH] • with the VMI spectrum possessing six times higher spectral resolution compared with the MB spectrum. These experimental values were well reproduced by calculations at the CCSD(T) level, in which both the isolated [SeCCH] – anion and the [SeCCH] • radical adopted linear geometries. The simulated spectra based on the calculated Franck–Condon factors, the SOC splitting, and the experimental line width matched well with the measured spectra. Furthermore, comparisons of the EA and SOC splitting values with the previously reported isolobal species [SeCN] • are also made and discussed. The decrease in the EA and SOC splitting of [SeCCH] • is ascribed to the differences in the electronegativities between C and N atoms as well as the electron density on the Se atom in its singly occupied molecular orbital (SOMO).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Modeling of transient interference phenomena in colinear laser spectroscopy

Colinear laser spectroscopy of fast atomic beams has been established as one of the main tools to perform precision experiments with atoms containing short-lived nuclei. Although highly sensitive, the spectral resolution of these techniques is typically limited to several MHz. Here, we study the use of transient interference phenomena to potentially improve the experimental resolution. Previous attempts to implement Ramsey-type measurements with fast beams were limited by the lack of understanding of the observed line shapes. Additionally, by using a simple model, we provide a satisfactory description of the previously observed line shapes and propose alternative experimental schemes to improve the resolution in fast ion-beam experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1992

X-Ray Microanalysis and Electron Energy Loss Spectrometry in the Analytical Electron Microscope: Review and Future Directions

This paper reviews and discusses future directions in analytical electron microscopy for microchemical analysis using X-ray and Electron Energy Loss Spectroscopy (EELS). The technique of X-ray microanalysis, using the ratio method and k(sub AB) factors, is outlined. The X-ray absorption correction is the major barrier to the objective of obtaining I% accuracy and precision in analysis. Spatial resolution and Minimum Detectability Limits (MDL) are considered with present limitations of spatial resolution in the 2 to 3 microns range and of MDL in the 0.1 to 0.2 wt. % range when a Field Emission Gun (FEG) system is used. Future directions of X-ray analysis include improvement in X-ray spatial resolution to the I to 2 microns range and MDL as low as 0.01 wt. %. With these improvements the detection of single atoms in the analysis volume will be possible. Other future improvements include the use of clean room techniques for thin specimen preparation, quantification available at the I% accuracy and precision level with light element analysis quantification available at better than the 10% accuracy and precision level, the incorporation of a compact wavelength dispersive spectrometer to improve X-ray spectral resolution, light element analysis and MDL, and instrument improvements including source stability, on-line probe current measurements, stage stability, and computerized stage control. The paper reviews the EELS technique, recognizing that it has been slow to develop and still remains firmly in research laboratories rather than in applications laboratories. Consideration of microanalysis with core-loss edges is given along with a discussion of the limitations such as specimen thickness. Spatial resolution and MDL are considered, recognizing that single atom detection is already possible. Plasmon loss analysis is discussed as well as fine structure analysis. New techniques for energy-loss imaging are also summarized. Future directions in the EELS technique will be the development of new spectrometers and improvements in thin specimen preparation. The microanalysis technique needs to be simplified and software developed so that the EELS technique approaches the relative simplicity of the X-ray technique. Finally, one can expect major improvements in EELS imaging as data storage and processing improvements occur.

Goldstein, J. I.↗