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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Impact of penetrating collisions of plasma ions on spectral line shapes

Spectral-line-broadening models have been moving towards including full Coulomb interactions between the atom and plasma, replacing the commonly used dipole approximation. The effects of the full Coulomb interaction have been thoroughly explored for plasma electrons, resulting in redshifts of spectral lines in high-energy-density plasmas. We explore the impact of a full Coulomb treatment on ion broadening. Penetrating collisions due to ions do not significantly impact the linewidths. The most significant aspect is the appearance of quasimolecular resonances in the far line wings, such as those previously observed in white-dwarf spectra. We identify several problems with the existing models. The most direct implementation causes the quasimolecular features to appear at the wrong photon energies. It is possible to include the detailed molecular structure, but this currently requires the Anderson-Talman approximation, which ignores the N-body properties of the plasma. We find that N-body effects can substantially broaden these quasimolecular features and even shift them, depending on the plasma conditions. We conclude that penetration of ions into the spatial extent of the radiator wave function does not strongly affect the usual diagnostics and may have a moderate to weak effect on opacity. Furthermore, the Rosseland mean opacity is weighted towards low-opacity regions of a spectrum, where these quasimolecular features are found.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Full radiator-perturber interaction in computer simulations of hydrogenic spectral line broadening by plasmas

Spectral line broadening by plasmas can be computed by solving the equation of motion for the dipole of the radiating system perturbed by a fluctuating potential obtained from computer simulations. Such calculations have relied on the multipole expansion of the radiator-plasma interaction often keeping only the dipole term. With increasing density, however, higher multipoles as well as plasma perturbers overlapping the bound electron wave functions are expected to become important. For hydrogenic systems, the atomic matrix elements of the full Coulomb and screened Coulomb interactions are given by analytical formulas. Using these results, a computer simulation approach that accounts for the full radiator-plasma interaction is developed. One benefit is the removal of inherent strong collision divergences in the multipole expansion approximation. Furthermore, it yields the plasma polarization shift produced by perturbers penetrating the wave function of the radiator bound electrons. Here, the model was applied to hydrogenic argon Ly-α , Ly- β , and Ly-$\gamma$ spectral lines in a dense argon plasma at free electron densities of 10 24 or 10 25 cm ⁻3 and temperature of $800$ $eV$ relevant to plasma diagnostic techniques for inertial confinement fusion implosions.

74 ATOMIC AND MOLECULAR PHYSICS↗
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↗
DOE OSTI2024

Second-order spectral line shift comparisons

The second-order spectral line width formulae from the projection operator and kinetic theory methods were recently compared. It was shown that a systematic expansion of the projection operator width expression including initial correlations formally agrees with the second-order kinetic theory result. It is now shown that the second-order dynamic shifts are also formally the same. The static shifts, however, differ due to an ad hoc treatment of electron-electron correlations in the projection operator method. The approximation is necessary in order to screen the radiator-electron interactions. The differences, however, are expected to be small. Finally, the results suggest using the rigorous and more compact second-order width and shift expressions from the kinetic theory method as the starting point for spectral line shape calculations. At line center, however, the projection operator second-order expression for the width and shift simplifies and reduces to the kinetic theory result.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Comparison of second-order spectral line widths formulae

Frequently used second-order spectral line width formulae from the projector operator and kinetic theory methods have not been formally compared previously. Here it is shown that a systematic second-order expansion of the projection operator expression including initial correlations agrees with the second-order kinetic theory result. The agreement assumes a common approximation in the projector operator method that introduces a screened radiator–perturber interaction to account for neglected electron–electron correlations. On the other hand, it is shown that the usual width expression from the projection operator approach neglecting initial correlations differs from kinetic theory. The differences, however, are at least third order in the radiator–perturber interaction. The comparisons suggest using the more compact width expression from kinetic theory, which includes initial correlations and a systematic screening of the radiator–perturber interactions, as the starting point for second-order width calculations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Multipole interaction in spectral line broadening by plasmas

A long-standing ambiguity in spectral line broadening theory related to the electric field divergence in the quadrupole term of the screened Coulomb radiator-plasma interaction is examined. This is accomplished with multipole expansions from a Taylor series as well as a partial wave analysis of the screened Coulomb interaction. Here, it is explicitly shown that the two approaches agree up to the octupole term for an effective radiator size small compared to the plasma screening length. Furthermore, the ambigous corrections are confirmed appearing naturally in both methods. For higher multipoles the agreement is demonstrated numerically with a computer program using exact arithmetic.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Sequential spectral line analysis for accurate density and temperature diagnosis of laboratory opacity measurements

The accuracy of iron opacity calculated in stellar interiors has been questioned since the discovery of the “solar problem” and the discrepancies between the measured and modeled iron opacity reported in 2015. Experimental opacity benchmarks require accurate temperature and density measurements, which were inferred by analyzing tracer magnesium spectra in those experiments. Could the observed discrepancy be explained by insufficient accuracy in the inferred temperature, density, and their uncertainties? Previous analyses may have yielded biased results due to three limitations: (1) simultaneous multi-line fitting, (2) approximations in line-shape models, and (3) exclusion of certain spectral lines due to insufficient background characterization. Notably, the first issue is a common concern for many inversion methods, including Bayesian inferences. We present a refined analysis method that overcomes these limitations, applied to three categories of iron opacity experiments (Anchor 1, 2, and 3). In particular, the sequential fitting method yields unbiased results with more realistic uncertainties by accounting for line inconsistencies in the parameter uncertainties. The average electron temperature and density values are 162 ± 6 eV and (7.0 ± 1.9) × 10 21 cm −3 for six Anchor 1 experiments, 189 ± 7 eV and (3.4 ± 0.3) × 10 22 cm −3 for 21 Anchor 2 experiments, and 201 ± 6 eV and (4.8 ± 1.1) × 10 22 cm −3 for nine Anchor 3 experiments. These results show ∼4% temperature and ∼20% density reproducibility over a decade, which also aligns with the inferred parameter uncertainties. In conclusion, the resulting temperature and density uncertainties lead to a quasi-continuum iron opacity variation of ±4%–7% for wavelengths below 9.5 Å, which is insufficient to explain the significant model-data discrepancies reported in 2015.

Absorption spectroscopy↗
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↗
DOE OSTI2023

Theory of Photoluminescence Spectral Line Shapes of Semiconductor Nanocrystals

Single-molecule photoluminescence (PL) spectroscopy of semiconductor nanocrystals (NCs) reveals the nature of exciton–phonon interactions in NCs. Understanding the homogeneous spectral line shapes and their temperature dependence remains an open problem. Here, we develop an atomistic model to describe the PL spectrum of NCs, accounting for excitonic effects, phonon dispersion relations, and exciton–phonon couplings. We validate our model using single-NC measurements on CdSe/CdS NCs from T = 4 to 290 K, and we find that the slightly asymmetric main peak at low temperatures is comprised of a narrow zero-phonon line (ZPL) and acoustic phonon sidebands. Furthermore, we identify the specific phonon modes that give rise to the optical phonon sidebands. At temperatures above 200 K, the spectral line width shows a stronger dependence upon the temperature, which we demonstrate to be correlated with higher order exciton–phonon couplings. We also identify the line width dependence upon reorganization energy, NC core sizes, and shell thicknesses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Effect of Electron Capture on Spectral Line Broadening in Hot Dense Plasmas

Accurate calculation of spectral line broadening is important for many hot, dense plasma applications. However, calculated line widths have significantly underestimated measured widths for Δn = 0 lines of Li-like ions, which is known as the isolated-line problem. In this Letter, scrutinization of the line-width derivation reveals that the commonly used expression neglects a potentially important contribution from electron-capture. Line-width calculations including this process are performed with two independent codes, both of which removed the discrepancies at temperatures below 10 eV. In conclusion, the revised calculations also suggest the remaining discrepancy scales more strongly with electron temperature than the atomic number as was previously suggested.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Effects of screening and pressure ionization on the electron broadening of spectral lines in dense plasmas

Collisions between electrons and radiating atoms broaden spectral absorption and emission lines in dense plasmas. High densities also introduce screening and pressure ionization effects that distort the wave functions of both bound and free electrons. In order to study how dense plasma effects influence the electron broadening of spectral lines, this paper incorporates electron wave functions from an average-atom (AA) model to calculate the linewidth of the B III 2⁢𝑝−2⁢𝑠 transition at 𝑇 = 10 eV for mass densities ranging from 𝜌 = 10 −4 to 0.4⁢ g⁡/cc. The calculation method uses the impact approximation, allowing the linewidth to be written in terms of electron-collision cross sections and an interference term. Compared to an otherwise identical calculation that uses Coulomb free wave functions, the AA method is found to modify both the cross sections and the resulting linewidth at sufficiently high density by introducing screening and pressure-ionized bound states. Screening lowers the cross sections at low energies and near electron excitation thresholds, while pressure-ionized bound states introduce resonances into the continuum. Thus, as the density increases, the relative linewidth between the AA and Coulomb calculations follows a general decrease because of screening, with sharp increases at various intervals due to pressure ionization. Finally, the AA results are also compared with a common approach to introduce screening through the interaction potential and reduced models that use the Bethe formula for the inelastic electron-collision cross sections.

electronic excitation & ionization↗
DOE OSTI2021

Analysis of Spectral Lines in Large Databases of Synthetic Spectra for Massive Stars

In this paper, we describe a program that identifies in the optical spectrum the main parameters of a spectral line, namely the initial and final wavelengths, and the line depth. Moreover, using numerical calculations, it identifies and removes adjacent lines. Next, the program calculates the equivalent width and the FWHM. The software was tested in a sample of 300 lines in two databases of synthetic spectra generated by the CMFGEN and PoWR codes, and 300 lines in observed spectra from the IACOB database, showing a Gaussian distribution of relative errors, from which it is inferred that 80% of the measured lines have errors less than 17% and only 5% of the lines have errors greater than 26%. The program was also run on the entire database of 45,000 CMFGEN and 202 POWR synthetic spectra, generating a library of H i, He i, and He ii lines necessary to feed the FITspec code for the derivation of stellar parameters: effective temperature, surface gravity, and luminosity.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Tunnel-FET Switching Is Governed by Non-Lorentzian Spectral Line Shape

In tunnel field-effect transistors (tFETs), the preferred mechanism for switching occurs by alignment (on) or misalignment (off) of two energy levels or band edges. Unfortunately, energy levels are never perfectly sharp. When a quantum dot interacts with a wire, its energy is broadened. Its actual spectral shape controls the current/voltage response of such transistor switches, from on (aligned) to off (misaligned). The most common model of spectral line shape is the Lorentzian, which falls off as reciprocal energy offset squared. Unfortunately, this is too slow a turnoff, algebraically, to be useful as a transistor switch. Electronic switches generally demand an on/off ratio of at least a million. Steep exponentially falling spectral tails would be needed for rapid off-state switching. This requires a new electronic feature, not previously recognized: narrowband, heavy-effective mass, quantum wire electrical contacts, to the tunneling quantum states. These are a necessity for spectrally sharp switching.

42 ENGINEERING↗
DOE OSTI2020

Detection of young (≤20 Myr) stellar populations in apparently quenched low-mass galaxies using red spectral line indices

ABSTRACT We report on the detection of a small contribution (around and below 1 per cent in mass) from young stellar components with ages ≤20 Myr in low-mass galaxies purposely selected from the MaNGA survey to be already-quenched systems. Among the sample of 28 galaxies, 8 of them show signatures of having suffered a very recent burst of star formation. The detection has been done through the analysis of line-strength indices in the red spectral range [5700,8800] Å. The increasing contribution of red supergiants to this red regime is responsible for a deviation of the index measurements with respect to their position within the model grids in the standard spectral range [3600,5700] Å. We demonstrate that a combination of red indices, as well as a qualitative assessment of the mean luminosity-weighted underlying stellar population, is required in order to distinguish between a true superyoung population and other possible causes of this deviation, such as abundance ratio variations. Our result implies that many presumably quenched low-mass galaxies actually contain gas that is triggering some level of star formation. They have, therefore, either accreted external gas, internally recycled enough gas from stellar evolution to trigger new star formation, or they kept a gas reservoir after the harassment or stripping process that quenched them in the first place. Internal processes are favoured since we find no particular trends between our non-quenched galaxies and their environment, although more work is needed to fully discard an external influence.

de Lorenzo-Cáceres, A.↗
DOE OSTI2021

Experimental methods for laboratory measurements of helium spectral line broadening in white dwarf photospheres

White Dwarf (WD) stars are the most common stellar remnant in the universe. WDs usually have a hydrogen or helium atmosphere, and helium WD (called DB) spectra can be used to solve outstanding problems in stellar and galactic evolution. DB origins, which are still a mystery, must be known to solve these problems. DB masses are crucial for discriminating between different proposed DB evolutionary hypotheses. Current DB mass determination methods deliver conflicting results. The spectroscopic mass determination method relies on line broadening models that have not been validated at DB atmosphere conditions. We performed helium benchmark experiments using the White Dwarf Photosphere Experiment (WDPE) platform at Sandia National Laboratories' Z-machine that aims to study He line broadening at DB conditions. Using hydrogen/helium mixture plasmas allows investigating the importance of He Stark and van der Waals broadening simultaneously. Accurate experimental data reduction methods are essential to test these line-broadening theories. In this paper, we present data calibration methods for these benchmark He line shape experiments. We give a detailed account of data processing, spectral power calibrations, and instrument broadening measurements. Uncertainties for each data calibration step are also derived. We demonstrate that our experiments meet all benchmark experiment accuracy requirements: WDPE wavelength uncertainties are <1 Å, spectral powers can be determined to within 15%, densities are accurate at the 20% level, and instrumental broadening can be measured with 20% accuracy. Fulfilling these stringent requirements enables WDPE experimental data to provide physically meaningful conclusions about line broadening at DB conditions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Spectral line identification from a photoionised silicon plasma in emission

Next-generation X-ray satellite telescopes such as XRISM, NewAthena and Lynx will enable observations of exotic astrophysical sources at unprecedented spectral and spatial resolution. Proper interpretation of these data demands that the accuracy of the models is at least within the uncertainty of the observations. One set of quantities that might not currently meet this requirement is transition energies of various astrophysically relevant ions. Current databases are populated with many untested theoretical calculations. Accurate laboratory benchmarks are required to better understand the coming data. We obtained laboratory spectra of X-ray lines from a silicon plasma at an average spectral resolving power of ∼7500 with a spherically bent crystal spectrometer on the Z facility at Sandia National Laboratories. Many of the lines in the data are measured here for the first time. We report measurements of 53 transitions originating from the K-shells of He-like to B-like silicon in the energy range between ∼1795 and 1880 eV (6.6–6.9 Å). The lines were identified by qualitative comparison against a full synthetic spectrum calculated with ATOMIC. The average fractional uncertainty (uncertainty/energy) for all reported lines is ∼5.4 × 10 −5 . We compare the measured quantities against transition energies calculated with RATS and FAC as well as those reported in the NIST ASD and XSTAR’s uaDB. Average absolute differences relative to experimentally measured values are 0.20, 0.32, 0.17 and 0.38 eV, respectively. All calculations/databases show good agreement with the experimental values; NIST ASD shows the closest match overall.

astrophysical plasmas↗
DOE OSTI2020

Control of the optical properties of gum and dentin tissue of a human tooth at laser spectral lines in the range of 200 – 800 nm

A change in the optical properties of the tissue of the gums and dentin of a human tooth is experimentally investigated in vitro with the application of a 99.5 % glycerol solution. The kinetics of the total transmittance in the spectral range of 200 – 800 nm on characteristic laser lines is studied. It is shown that the effectiveness of optical clearing, expressed as a relative increase in the total transmittance, for gum tissue in the laser radiation range of 200 – 800 nm can vary significantly (by an order of magnitude). In this case, the absolute values of optical transmittance in the UV region are relatively small due to the strong absorption by the endogenous chromophores of the studied tissues, and in the visible and NIR regions, on the contrary, they are significant, which is due to the absence of strongly absorbing chromophores. The effectiveness of dentin clearing in the entire visible and NIR spectral regions is on average 25 % for 300 minutes of immersion of the sample in a 99.5 % glycerol solution. The presented results are necessary for increasing the efficiency of laser therapy and methods for optical monitoring of morphological changes in biological tissues for the purpose of early diagnosis of diseases. (paper)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗