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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Solid-Density Ion Temperature from Redshifted and Double-Peaked Stark Line Shapes

Heβ spectral line shapes are important for diagnosing temperature and density in many dense plasmas. This work presents Heβ line shapes measured with high spectral resolution from solid-density plasmas with minimized gradients. The line shapes show hallmark features of Stark broadening, including quantifiable redshifts and double-peaked structure with a significant dip between the peaks; these features are compared to models through a Markov chain Monte Carlo framework. Line shape theory using the dipole approximation can fit the width and peak separation of measured line shapes, but it cannot resolve an ambiguity between electron density n e and ion temperature T i , since both parameters influence the strength of quasistatic ion microfields. Here a line shape model employing a full Coulomb interaction for the electron broadening computes self-consistent line widths and redshifts through the monopole term; redshifts have different dependence on plasma parameters and thus resolve the n e – T i ambiguity. The measured line shapes indicate densities that are 80–100% of solid, identifying a regime of highly ionized but well-tamped plasma. This analysis also provides the first strong evidence that dense ions and electrons are not in thermal equilibrium, despite equilibration times much shorter than the duration of x-ray emission; cooler ions may arise from nonclassical thermalization rates or anomalous energy transport. Furthermore, the experimental platform and diagnostic technique constitute a promising new approach for studying ion-electron equilibration in dense plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1972

Comparison of experimental and theoretical pressure-broadened atomic line shapes.

Line-structure calculations of the longer wavelength resonance line of cesium pressurized by argon are compared with experimental values over a range of perturber relative densities from 0.5 to 61. The main features of the line shapes are reproduced by the general pressures method using Lennard-Jones potentials. The calculations indicate that results are very sensitive to the potential parameters employed, but are not sensitive to changes in the temperature. The data are also compared with the method that makes the quasi-static approximation and with the high-pressure limit that leads to a Gaussian line profile. The former technique yields good agreement over the range of pressures where the approximation is warranted, and the latter appears to have several disadvantages.

Atakan, A. K.↗
NASA NTRS1991

Line-shape asymmetry of water vapor absorption lines in the 720-nm wavelength region

Spectral line-shape analyses were performed for water vapor lines broadened by argon, oxygen, and xenon in the 720-nm wavelength region. A line-shape asymmetry was observed, which is attributed to statistical dependence or correlation between velocity- and state-changing collisions. The generalized (asymmetric) Galatry profile, which results from the soft-collision profile and includes correlation between velocity- and state-changing collisions, was fitted to the observed line shapes and was found to compare favorably with the observed data. The most prominent asymmetries were observed with xenon as the buffer gas.

Grossmann, Benoist E.↗
NASA NTRS2021

Theoretical Study of CH3Cl-N2 Line Shapes in the ν1 Band. Line Mixing Effects in QR Doublets and QQk Sub-Branches

Line coupling and line mixing effects of CH3Cl lines in the ν1 band perturbed by N2 have been investigated. We have taken into account the non-diagonality of the exp(−S2) operator within specified line spaces as well as the k-degeneracy of the transitions (due to the double degeneracy of the j,k levels with k ≠ 0). These transitions should be considered as doublets coupled by the line mixing process. A new problem appears in the calculation when the atom-atom potential model is introduced. In order to overcome this difficulty, a pragmatic approach is proposed. Comparisons of theoretically calculated matrix elements of W with measurements of QR(j,k) doublets as well as some QQk sub-branches, which are strongly affected by line mixing, have been made. The results show that the formalism improved in this way leads to rather accurate predictions.

Methyl chloride↗
DOE OSTI2022

Introduction to spectral line shape theory

Spectral line-shape models are an important part of understanding high-energy-density (HED) plasmas. Models are needed for calculating opacity of materials and can serve as diagnostics for astrophysical and laboratory plasmas. However, much of the literature on line shapes is directed toward specialists. This perspective makes it difficult for non-specialists to enter the field. We have two broad goals with this topical review. First, we aim to give information so that others in HED physics may better understand the current field. Additionally, this first goal may help guide future experiments to test different aspects of the theory. Second, we provide an introduction for those who might be interested in line-shape theory, and enough materials to be able to navigate the field and the literature. We give a high-level overview of line broadening process, as well as dive into the formalism, available methods, and approximations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1972

Computation of pressure effects of inert-gas mixtures on atomic line shapes.

Recent line-shape experiments on the absorption series of cesium pressurized by various concentration ratios of argon and helium provide an opportunity to study the additivity of perturber interactions. Calculations which assume additivity and which assume additive adiabatic collisions agree well with the reported data. The results suggest that a systematic study of such experiments using accurate digitized data can furnish criteria for the valid applications of the additivity approximation.

Jacobson, H. C.↗
NASA NTRS1999

The Density Matrix of H20 - N2 In the Coordinate Representation: A Monte Carlo Calculation of the Far-Wing Line Shape

The far-wing line shape theory within the binary collision and quasistatic framework has been developed using the coordinate representation. Within this formalism, the main computational task is the evaluation of multidimensional integrals whose variables are the orientational angles needed to specify the initial and final positions of the system during transition processes. Using standard methods, one is able to evaluate the 7-dimensional integrations required for linear molecular systems, or the 7-dimensional integrations for more complicated asymmetric-top (or symmetric-top) molecular systems whose interaction potential contains cyclic coordinates. In order to obviate this latter restriction on the form of the interaction potential, a Monte Carlo method is used to evaluate the 9-dimensional integrations required for systems consisting of one asymmetric-top (or symmetric-top) and one linear molecule, such as H20-N2. Combined with techniques developed previously to deal with sophisticated potential models, one is able to implement realistic potentials for these systems and derive accurate, converged results for the far-wing line shapes and the corresponding absorption coefficients. Conversely, comparison of the far-wing absorption with experimental data can serve as a sensitive diagnostic tool in order to obtain detailed information on the short-range anisotropic dependence of interaction potentials.

Ma, Q.↗
NASA NTRS1978

Approximate line shapes for hydrogen

Two independent methods are presented for calculating radiative transport within hydrogen lines. In Method 1, a simple equation is proposed for calculating the line shape. In Method 2, the line shape is assumed to be a dispersion profile and an equation is presented for calculating the half half-width. The results obtained for the line shapes and curves of growth by the two approximate methods are compared with similar results using the detailed line shapes by Vidal et al.

Sutton, K.↗
DOE OSTI2021

Theoretical study of CH 3 Cl-N 2 line shapes in the ν 1 band. Line mixing effects in QR doublets and QQ k sub-branches

Line coupling and line mixing effects of CH 3 Cl lines in the ν 1 band perturbed by N 2 have been investigated. We have taken into account the non-diagonality of the exp(–S 2 ) operator within specified line spaces as well as the k-degeneracy of the transitions (due to the double degeneracy of the j,k levels with k ≠ 0). These transitions should be considered as doublets coupled by the line mixing process. A new problem appears in the calculation when the atom-atom potential model is introduced. In order to overcome this difficulty, a pragmatic approach is proposed. Comparisons of theoretically calculated matrix elements of W with measurements of QR(j,k) doublets as well as some QQ k sub-branches, which are strongly affected by line mixing, have been made. Finally, the results show that the formalism improved in this way leads to rather accurate predictions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1993

Anomalous optogalvanic line shapes of argon metastable transitions in a hollow cathode lamp

Anomalous optogalvanic line shapes were observed in a commercial hollow cathode lamp containing argon buffer gas. Deviations from Gaussian line shapes were particularly strong for transitions originating from the 3P2 metastable level of argon. The anomalous line shapes can be described reasonably well by the assumption that two regions in the discharge are excited simultaneously, each giving rise to a purely Gaussian line shape, but with different polarities, amplitudes, and linewidths.

Ruyten, W. M.↗
NASA NTRS1984

Study of the Auger line shape of polyethylene and diamond

The KVV Auger electron line shapes of carbon in polyethylene and diamond have been studied. The spectra were obtained in derivative form by electron beam excitation. They were treated by background subtraction, integration and deconvolution to produce the intrinsic Auger line shape. Electron energy loss spectra provided the response function in the deconvolution procedure. The line shape from polyethylene is compared with spectra from linear alkanes and with a previous spectrum of Kelber et al. Both spectra are compared with the self-convolution of their full valence band densities of states and of their p-projected densities. The experimental spectra could not be understood in terms of existing theories. This is so even when correlation effects are qualitatively taken into account account to the theories of Cini and Sawatzky and Lenselink.

Dayan, M.↗
NASA NTRS1986

Sensitivity of the curve-to-growth technique utilized in rocket experiments to determine the line shape of solar He I resonance lines

The sensitivity of the curve-of-growth (COG) technique utilized in rocket measurements to determine the line profiles of the solar He I resonance emissions is theoretically examined with attention to the possibility of determining the line core shape using this technique. The line at 584.334 A is chosen as an illustration. Various possible source functions of the solar line have been assumed in the computation of the integrated transmitted intensity. A recent observational data set obtained by the present researchers is used as the constraint of the computation. It is confirmed that the COG technique can indeed provide a good measurement of the solar line width. However, to obtain detailed knowledge of the solar profile at line center and in the core region, (1) it is necessary to be able to carry out relative solar flux measurements with a 1-percent or better precision, and (2) it must be possible to measure the He gas pressure in the absorption cell to lower than 0.1 mtorr. While these numbers apply specifically to the present geometry, the results are readily scaled to other COG measurements using other experimental parameters.

Wu, C. Y. R.↗
DOE OSTI2024

Coupled-Channel Analysis of the χ c 1 ( 3872 ) Line Shape with BESIII Data

We perform a study of the χ c 1 ( 3872 ) line shape using the data samples of e + e − → γ χ c 1 ( 3872 ) , χ c 1 ( 3872 ) → D 0 D ¯ 0 π 0 , and π + π − J / ψ collected with the BESIII detector. The effects of the coupled channels and the off-shell D * 0 are included in the parametrization of the line shape. The line shape mass parameter is obtained to be M X = ( 3871.63 ± 0.1 3 − 0.05 + 0.06 ) MeV . Two poles are found on the first and second Riemann sheets corresponding to the D * 0 D ¯ 0 branch cut. The pole location on the first sheet is much closer to the D * 0 D ¯ 0 threshold than the other, and is determined to be 7.04 ± 0.1 5 − 0.08 + 0.07 MeV above the D 0 D ¯ 0 π 0 threshold with an imaginary part − 0.19 ± 0.0 8 − 0.19 + 0.14 MeV . Published by the American Physical Society 2024

Physics↗
DOE OSTI2022

The effects of advanced spectral line shapes on atmospheric carbon dioxide retrievals

Line shape effects such as speed-dependence and collisional (Dicke) narrowing are manifest in high signal-to-noise ratio laboratory spectra for a wide range of molecular species and sample conditions. However, these effects are usually neglected in spectroscopic models used in remote sensing of atmospheric greenhouse gases. Here, in this study, we examine the effects of line profile choice on laboratory spectra and XCO 2 values retrieved from Total Carbon Column Observing Network (TCCON) spectra. To this end, we utilize limiting cases of the Hartmann-Tran profile (HTP) with shape parameters recently measured by cavity ring-down spectroscopy. Significant differences highlighting the importance of including speed-dependence effects in forward models were observed both in scaling retrievals as well as profile retrievals. However, because of uncertainties associated with the atmospheric temperature gradient, it was not possible to extract accurate carbon column profiles even with inclusion of these new line shape parameters and advanced line profiles.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Impact of substrates and quantum effects on exciton line shapes of 2D semiconductors at room temperature

Exciton resonances in monolayer transition-metal dichalcogenides (TMDs) provide exceptionally strong light–matter interaction at room temperature. Their spectral line shape is critical in the design of a myriad of optoelectronic devices, ranging from solar cells to quantum information processing. However, disorder resulting from static inhomogeneities and dynamical fluctuations can significantly impact the line shape. Many recent works experimentally evaluate the optical properties of TMD monolayers placed on a substrate and the line shape is typically linked directly to the material’s quality. Here, we highlight that the interference of the substrate and TMD reflections can strongly influence the line shape. We further show how basic, room-temperature reflection measurements allow investigation of the quantum mechanical exciton dynamics by systematically controlling the substrate reflection with index-matching oils. By removing the substrate contribution with properly chosen oil, we can extract the excitonic decay rates including the quantum mechanical dephasing rate. The results provide valuable guidance for the engineering of exciton line shapes in layered nanophotonic systems.

2D semiconductor↗
DOE OSTI2022

Stochastic exciton-scattering theory of optical line shapes: Renormalized many-body contributions

Spectral line shapes provide a window into the local environment coupled to a quantum transition in the condensed phase. In this paper, we build upon a stochastic model to account for non-stationary background processes produced by broad-band pulsed laser stimulation, as distinguished from those for stationary phonon bath. In particular, we consider the contribution of pair-fluctuations arising from the full bosonic many-body Hamiltonian within a mean-field approximation, treating the coupling to the system as a stochastic noise term. Herein, using the Itô transformation, we consider two limiting cases for our model, which lead to a connection between the observed spectral fluctuations and the spectral density of the environment. In the first case, we consider a Brownian environment and show that this produces spectral dynamics that relax to form dressed excitonic states and recover an Anderson–Kubo-like form for the spectral correlations. In the second case, we assume that the spectrum is Anderson–Kubo like and invert to determine the corresponding background. Using the Jensen inequality, we obtain an upper limit for the spectral density for the background. The results presented here provide the technical tools for applying the stochastic model to a broad range of problems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗