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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 55 records · Page 3

SALSAA: a statistical approach to line shapes from an average atom

Ion-Stark line broadening is a key density diagnostic for hot dense plasmas relevant to inertial fusion and astrophysics. It is caused by interactions of a radiating ion with nearby perturbing ions, whose electric microfields lead to changes in bound-bound transition energies. Ion-Stark broadening becomes increasingly difficult to compute for complex, many-electron ions with myriad transitions. In this paper, we propose a simplified approach to ion-Stark broadening based on self-consistent ion distributions and electronic structure from an average-atom model. We find that this approach reproduces the line shape predictions of one traditional method for high-n K-shell emission lines in aluminum ions with accuracy sufficient for density diagnostics in thermal plasmas with equal ion and electron temperatures. We expect that this approach can be extended to provide a reasonable picture of ion-Stark broadening in many-electron ions, enabling rapid calculations of line profiles in complex spectra.

average-atom↗

Time-Resolved Line Shapes of Single Quantum Emitters via Machine Learned Photon Correlations

Solid-state single-photon emitters (SPEs) are quantum light sources that combine atomlike optical properties with solid-state integration and fabrication capabilities. SPEs are hindered by spectral diffusion, where the emitter’s surrounding environment induces random energy fluctuations. Timescales of spectral diffusion span nanoseconds to minutes and require probing single emitters to remove ensemble averaging. Photon correlation Fourier spectroscopy (PCFS) can be used to measure time-resolved single emitter line shapes, but is hindered by poor signal-to-noise ratio in the measured correlation functions at early times due to low photon counts. Here, we develop a framework to simulate PCFS correlation functions directly from diffusing spectra that match well with experimental data for single colloidal quantum dots. We use these simulated datasets to train a deep ensemble autoencoder machine learning model that outputs accurate, noiseless, and probabilistic reconstructions of the noisy correlations. Using this model, we obtain reconstructed time-resolved single dot emission line shapes at timescales as low as 10 ns, which are otherwise completely obscured by noise. This enables PCFS to extract optical coherence times on the same timescales as Hong-Ou-Mandel two-photon interference, but with the advantage of providing spectral information in addition to estimates of photon indistinguishability. Further, our machine learning approach is broadly applicable to different photon correlation spectroscopy techniques and SPE systems, offering an enhanced tool for probing single emitter line shapes on previously inaccessible timescales.

74 ATOMIC AND MOLECULAR PHYSICS↗

The influence of line shape and band structure on temperatures in planetary atmospheres

Numerical experiments are performed to examine the effects of line shape and band structure on the radiative equilibrium temperature profile in planetary atmospheres. In order to accurately determine these effects, a method for calculating radiative terms is developed which avoids the usual approximations. It differs from the more commonly used methods in that it allows arbitrary dependence of the absorption coefficient on wave number, without requiring tedious line by line integration and without the constraints of band models. The present formulation is restricted to homogeneous atmospheres but the concept can be extended to the more general case. The numerical experiments reveal that the line shape and band structure of the absorbing gases have a large effect on temperatures in the higher layers of the atmosphere (corresponding to the stratosphere and mesosphere). The more nongrey the spectrum (that is, the higher the peaks and the deeper the troughs in the spectrum), the lower the temperature.

Arking, A.↗

Line shape parameters of PH3 transitions: Theoretical studies of self-broadened widths and line mixing effects

Line mixing effects have been calculated in various parallel and perpendicular bands of self-broadened PH3 lines and compared with recent experimental data. The theoretical approach is an extension to symmetric tops with high inversion barrier of the formalism previously developed for NH3 [Q. Ma and C. Boulet, J. Chem. Phys. 144, 224303 (2016)]. The model takes into account the non-diagonality of the scattering operator within the line space as well as, in a correct way, the double degeneracy of the j, k levels when k ≠ 0. Transitions between such levels should be considered as doublets whose components may be coupled by the line mixing process. It has been shown that, at low pressure, the inversion of the experimental data will strongly depend on the splitting between the two components of a doublet. When it is significant, one can measure independently both the width of one component and the intra-doublet coupling matrix element. Otherwise, one can only measure the sum of these two elements. Comparisons with measurements show that the present formalism leads to accurate predictions of the experimental line shapes.

Remote sensing↗

Pulsed Airborne Lidar Measurements of Atmospheric CO2 Column Absorption and Line Shapes from 3-13 km Altitudes

We have developed a pulsed lidar technique for measuring the tropospheric CO2 concentrations as a candidate for NASA's planned ASCENDS space mission. Our technique uses two pulsed laser transmitters allowing simultaneous measurement of a CO2 absorption line in the 1570 nm band, O2 extinction in the Oxygen A-band and surface height and backscatter. The lidar measures the energy and time of flight of the laser echoes reflected from the atmosphere and surface. The lasers are rapidly and precisely stepped in wavelength across the CO2 line and an O2 line region during the measurement. The direct detection receiver uses a telescope and photon counting detectors, and measures the background light and energies of the laser echoes from the surface along with scattering from any aerosols in the path. The gas extinction and column densities for the CO2 and O2 gases are estimated from the ratio of the on- and off- line signals via the DIAL technique. Time gating is used to isolate the laser echo signals from the surface, and to reject laser photons scattered in the atmosphere. The time of flight of the laser pulses are also used to estimate the height of the scattering surface and to identify cases of mixed cloud and ground scattering. We have developed an airborne lidar to demonstrate the CO2 measurement from the NASA Glenn Lear-25 aircraft. The airborne lidar steps the pulsed laser's wavelength across the selected CO2 line with 20 steps per scan. The line scan rate is 450 Hz, the laser pulse widths are 1 usec, and laser pulse energy is 24 uJ. The time resolved laser backscatter is collected by a 20 cm telescope, detected by a photomultiplier and is recorded by a photon counting system. We made initial airborne measurements on flights during fall 2008. Laser backscatter and absorption measurements were made over a variety of land and water surfaces and through thin clouds. The atmospheric CO2 column measurements using the 1572.33 nm CO2 lines. Two flights were made above the US Department of Energy's (DOE) SGP ARM site at altitudes from 3-8 km. These flights were coordinated with DOE investigators who flew an in-situ CO2 sensor on a Cessna aircraft under the path. The increasing CO2 line absorptions with altitudes were evident and comparison with in-situ measurements showed agreements to 6 ppm. In spring 2009 we improved the aircraft's nadir window and during July and August we made 9 additional 2 hour long flights and measured the atmospheric CO2 absorption and line shapes using the 1572.33 nm CO2 line. Measurements were made at stepped altitudes from 3-13 km over a variety of surface types in Nebraska, Illinois, the SGP ARM site, and near and over the Chesapeake Bay in North Carolina and eastern Virginia. Strong laser signals and clear CO2 line shapes were observed at all altitudes, and some measurements were made through thin clouds. The flights over the ARM site were underflown with in-situ measurements made from the DOE Cessna. Analysis shows that the average signal levels follow predicted values, the altimetry measurements had an uncertainty of about 4 m, and that the average optical line depths follow the number density calculated from in-situ sensor readings. The Oklahoma and east coast flights were coordinated with a LaRC/ITT CO2 lidar on the LaRC UC-12 aircraft, a LaRC in-situ CO2 sensor, and the Oklahoma flights also included a JPL CO2 lidar on a Twin Otter aircraft. More details of the flights, measurements, analysis and scaling to space will be described in the presentation.

Abshire, James↗

Pulsed Airborne Lidar Measurements of Atmospheric CO2 Column Absorption and Line Shapes from 3-13 km Altitudes

We have developed a lidar technique for measuring the tropospheric C02 concentrations as a candidate for NASA's planned ASCENDS mission. Our technique uses two pulsed laser transmitters allowing simultaneous measurement of a C02 absorption line in the 1570 nm band, 02 extinction in the Oxygen A-band and surface height and backscatter. The lidar measures the energy and time of flight of the laser echoes reflected from the atmosphere and surface. The lasers are stepped in wavelength across the C02 line and an 02 line region during the measurement. The receiver uses a telescope and photon counting detectors, and measures the background light and energies of the laser echoes from the surface along with scattering from any aerosols in the path. The gas extinction and column densities for the C02 and 02 gases are estimated from the ratio of the on- and off- line signals via the DIAL technique. Time gating is used to isolate the laser echo signals from the surface, and to reject laser photons scattered in the atmosphere. We have developed an airborne lidar to demonstrate the C02 measurement from the NASA Glenn Lear 25 aircraft. The airborne lidar steps the pulsed laser's wavelength across a selected C02 line with 20 steps per scan. The line scan rate is 450 Hz and laser pulse widths are I usec. The time resolved laser backscatter is collected by a 20 cm telescope, detected by a photomultiplier and is recorded by a photon counting system. We made initial airborne measurements on flights during October and December 2008. Laser backscatter and absorption measurements were made over a variety of land and water surfaces and through thin and broken clouds. Atmospheric C02 column measurements using the 1571.4, 1572.02 and 1572.33 nm C02 lines. Two flights were made above the DOE SGP ARM site at altitudes from 3-8 km. These nights were coordinated with DOE investigators who Hew an in-situ C02 sensor on a Cessna aircraft under the path. The increasing C02 line absorptions with altitudes were evident and comparison with in-situ measurements showed agreements to 6 ppm. This spring we improved the aircraft's nadir window. During July and August 2009 we made 9 additional 2 hour long flights and measured the atmospheric C02 absorption and line shapes using the 1572.33 nm C02 line. Measurements were made at stepped altitudes from 3-13 km over a variety of surface types in Nebraska, Illinois, the SGP ARM site, and near and over the Chesapeake Bay in North Carolina and Virginia. Strong laser signals and clear line shapes were observed at all altitudes, and some measurements were made through thin clouds. The flights over the ARM site were underflown with in-situ measurements made from the DOE Cessna. The Oklahoma and east coast t1ights were coordinated with a LaRC/ITT C02 lidar on the LaRC UC-12 aircraft, a LaRC in~situ C02 sensor, and the Oklahoma flights also included a JPL C02 lidar on a Twin Otter aircraft. Ed Browell and Gary Spiers led the LaRC and JPL teams. More details of the t1ights, measurements and analysis will be described in the presentation.

Abshire, J. B.↗

Practical guide to understanding goodness-of-fit metrics used in chemical state modeling of x-ray photoelectron spectroscopy data by synthetic line shapes using nylon as an example

Chemical state analysis of a sample surface through fitting bell-shaped curves to x-ray photoelectron spectroscopic polymer data is reviewed using nylon to introduce and discuss aspects of data analysis. Different strategies for modeling chemistry in nylon spectra are presented and in so doing, a case is made to include in published science the design logic and implementation in terms of line shapes and optimization parameter constraints between components in a peak model. Imperfections in line shape relative to the true shape for photoemission lines, when compensated for using constraints to optimization parameters, are shown to provide chemical state information about a sample that justify, for peak models constructed with these limitations, metrics for goodness-of-fit different from those expected for pulse-counted data.

Materials Science↗

Absorption and emission line shapes in the O2 atmospheric bands - Theoretical model and limb viewing simulations

A multiple scattering radiative transfer model has been developed to carry out a line-by-line calculation of the absorption and emission limb measurements that will be made by the High Resolution Doppler Imager to be flown on the Upper Atmosphere Research Satellite. The multiple scattering model uses the doubling and adding methods to solve the radiative transfer equation, modified to take into account a spherical inhomogeneous atmosphere. Representative absorption and emission line shapes in the O2 1Sigma(+)g - 3Sigma(-)g atmospheric bands (A,B, and gamma) and their variation with altitude are presented. The effects of solar zenith angle, aerosol loading, surface albedo, and cloud height on the line shapes are also discussed.

Abreu, Vincent J.↗

Line shape of the non-thermal 6300 A O/1D/ emission

The two-population model of Schmitt, Abreu and Hays (1981) is used to calculate the line shape of the atomic oxygen metastable state, nonthermal O(1D) 6300 A emission, in order to simulate observations made from a space platform at different zenith angles and altitudes. The Addition theorem, for spherical harmonics of a Legendre polynomial expansion of the nonthermal population distribution function, is used to obtain nonthermal line shapes observed at zenith angles other than the local vertical one.

Schmitt, G. A.↗

Solar flare gamma-ray line shapes

A computer code has been developed which is used to calculate ab initio the laboratory shapes and energy shifts of gamma-ray lines from (C-12)(p, gamma/4.438/)p-prime(C-12) and (O-16)(p, gamma/6.129/)p-prime(O-16) reactions and to calculate the expected shapes of these lines from solar flares. The sensitivity of observable solar flare gamma-ray line shapes to the directionality of the incident particles is investigated for several projectile angular distributions. Shapes of the carbon and oxygen lines are calculated assuming realistic proton energy spectra for particles in circular orbits at the mirror points of magnetic loops, for particle beams directed downward into the photosphere, and for isotropic particle distributions. Line shapes for flare sites near the center of the sun and on the limb are shown for both thin-target and thick-target interaction models.

Werntz, C.↗

From pole parameters to line shapes and branching ratios

Abstract Resonances are uniquely characterized by their complex pole locations and the corresponding residues. In practice, however, resonances are typically identified experimentally as structures in invariant mass distributions, with branching fractions of resonances determined as ratios of count rates. To make contact between these quantities it is necessary to connect line shapes and resonance parameters. In this work we propose such a connection and illustrate the formalism with detailed studies of the $$\rho (770)$$ ρ ( 770 ) and $$f_0(500)$$ f 0 ( 500 ) resonances. Based on the line shapes inferred from the resonance parameters along these lines, expressions for partial widths and branching ratios are derived and compared to other approaches in the literature.

Physics↗

High resolution gamma-ray astronomy - Observations and predictions of line shapes

The shapes of gamma-ray lines carry unique information about the physical processes and conditions in astrophysical sites. Galactic center and SN 1987A lines have been observationally resolved allowing their shapes to be studied. There are also significant new theoretical results concerning line shapes from Type I supernovae, supernova remnants and the interstellar medium. New work is presented on a simple treatment of line profiles for rotating disks and spherical shells.

Bhattacharya, Dipen↗

Raman Q-branch line shapes as a test of the H2-Ar intermolecular potential

The line-shape cross sections of vibrational Raman Q-branch spectra are determined theoretically for D2 and H2 in Ar. The calculations are based on accurate close-coupling matrices and the intermolecular potential obtained by Le Roy and Hutson (1987) from spectra of van der Waals complexes. The calculation techniques applied are explained, and the results are presented in tables and graphs and discussed in detail with reference to published experimental data. Agreement to within about 25 percent is obtained for the line widths, but the line shifts are found to be a factor of two smaller than the measured values, and a temperature dependence of line-width cross sections is predicted which is not observed experimentally.

Green, Sheldon↗

Spectral line shapes in spherically symmetric radially moving clouds

We present a method for the analysis of spectral line shapes arising in homogeneous, moving gas clouds in which velocity and molecular line excitation have power-law dependences on radial distance from the center. Analytical expressions are obtained for radial flows, for both optically thick and optically thin lines. The additional case of an optically thick line from a differentially rotating cloud is considered qualitatively. The method is applied to the interpretation of the C(12)O line observed in the direction of the Kleinmann-Low infrared nebula in Orion. While gravitational collapse and accelerated outflows would produce lines qualitatively similar to the observed profile, it does not appear to be possible to fit either model to the observations in detail.

Kuiper, T. B. H.↗

Surface analysis insight note: Synthetic line shapes, integration regions and relative sensitivity factors

Here, methods for estimating photoemission intensity from X-ray photoelectron spectroscopy data are examined. The role played by “synthetic” bell-shaped curves, integration intervals, background curves, and the use of relative sensitivity factors (RSFs) in reporting percentage atomic concentration for a sample is presented. In particular, photoemission lines with differing energy distributions obtained from the NaCl sample surface are used to demonstrate how a comparison of photoemission intensities is dependent on the line shapes, background curves, and appropriate use of RSFs.

42 ENGINEERING↗

Dispersion studies of the 22 GHz water vapor line shape. II - Instrumental correction.

Anomalies in the resonance dispersion of the pressure-broadened water vapor line at a frequency of 22.235 GHz are resolved. The pressure-scanning differential-refraction spectrometer gives rise to a signal enhancement as the line center moves within the width of the dispersion discriminator. Resonance absorption prevents the frequency of peak transmitted power from coinciding with the resonance condition of zero phase. The results reported for the 23.6 GHz rotational line of ethylene oxide show a Lorentzian molecular line shape.

Dillon, T. A.↗