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DOE OSTI2022

Atomic structure considerations for the low-temperature opacity of Xenon

Here, we have begun a preliminary investigation into the opacity of Xe at low temperatures (<50 eV). The emissivity and opacity of Xe is a crucial factor in determining the utility of Xe in EUV lithography, with numerous industrial applications. To this end, we have been exploring the accuracy of some approximations used in opacity models for the relevant ion stages of Xe (6 times ionized through 20 times ionized). Due to the complexity of Xe atomic structure, one needs to use full configuration-interaction to properly describe the strong mixing in the various n=4 sub-shells that give rise to the Δn=0 and Δn=1 transitions that dominate the opacity spectrum at low temperatures. Since calculations that include full configuration-interaction for large numbers of configurations quickly become computationally prohibitive, we have explored hybrid calculations, in which full configuration-interaction is retained for the most important transitions, while intermediate coupling is employed for all other transitions. After verifying atomic structure properties, local-thermodynamic-equilibrium (LTE) opacities are generated using the ATOMIC code at selected temperatures and densities and compared to various experimental results.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Overview of oxygen opacity experiments at the National Ignition Facility and investigation of potential systematic errors

Experiments to measure oxygen opacity at stellar interior conditions have been performed at the National Ignition Facility in a Discovery Science campaign. These experiments utilize the Opacity-on-NIF platform with a sample comprised of O, Mg, and Si. The spectral data from the Opacity Spectrometer cover the 1000–2000 eV photon energy range showing bound-free continuum absorption from O and line absorption from Mg and Si. DANTE and the Gated X-ray Detector are employed to measure the sample plasma’s temperature and density, respectively. Initial data show lower transmission than expected by theoretical models, raising questions of whether potential background or data uniformity concerns could produce systematic errors in the inferred transmission. Here, we investigate three concerns thought to be important for the oxygen opacity data, including instrumental scattered background, sample self-emission non-uniformity, and backlight continuum non-uniformity. Additionally, we show the effect of a recently developed method to account for 2nd order crystal reflection. The total effect of these concerns on one experiment is found to be small compared to the observed difference between the inferred transmission and a model calculation at the inferred temperature and density. Thus, we conclude that these potential sources of systematic error cannot account for the observed difference, increasing the likelihood of a real effect due to the high temperature and density conditions. However, because this is only a single experiment, we cannot make a firm conclusion. More experiments measuring the opacity and necessary calibrations are needed to assess the reproducibility and uncertainty of this result.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Sub-keV design for the National Ignition Facility’s soft x-ray Opacity Spectrometer (OpSpec) and expansion plans for time-resolved measurements

When compared with the National Ignition Facility’s (NIF) original soft x-ray opacity spectrometer, which used a convex cylindrical design, an elliptically shaped design has helped to increase the signal-to-noise ratio and eliminated nearly all reflections from alternate crystal planes. The success of the elliptical geometry in the opacity experiments has driven a new elliptical geometry crystal with a spectral range covering 520–1100 eV. When coupled with the primary elliptical geometry, which spans 1000–2100 eV, the new sub-keV elliptical geometry helps to cover the full iron L-shell and major oxygen transitions important to solar opacity experimentation. The new design has been built and tested by using a Henke x-ray source and shows the desired spectral coverage. Additional plans are underway to expand these opacity measurements into a mode of time-resolved detection, ~1 ns gated, but considerations for the detector size and photometrics mean a crystal geometry redesign. Here, the new low-energy geometry, including preliminary results from the NIF opacity experiments, is presented along with the expansion plans into a time-resolved platform.

47 OTHER INSTRUMENTATION↗

DOE OSTI2019

First systematic study of L-shell opacity at stellar interior temperatures

The first systematic study of opacity dependence on atomic number at stellar interior temperatures is used to evaluate discrepancies between measured and modeled iron opacity [J. E. Bailey et al., Nature (London) 517, 56 (2015)]. High-temperature ( > 180 eV) chromium and nickel opacities are measured with ± 6-10% uncertainty, using the same methods employed in the previous iron experiments. The 10%-20% experiment reproducibility demonstrates experiment reliability. The overall model-data disagreements are smaller than for iron. However, the systematic study reveals shortcomings in models for density effects, excited states, and open L-shell configurations. The 30%-45% underestimate in the modeled quasicontinuum opacity at short wavelengths was observed only from iron and only at temperature above 180 eV. Thus, either opacity theories are missing physics that has nonmonotonic dependence on the number of bound electrons or there is an experimental flaw unique to the iron measurement at temperatures above 180 eV.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2025

First Measurement of Z Opacity Sample Evolution near Solar Interior Conditions Using Time-Resolved Spectroscopy

Opacity model differences with Fe opacity measurements at high temperature (T>1⁢8⁢0 eV ) and high electron density (𝑛 𝑒 >3×10 22 cm −3 ) at nearly solar interior conditions have remained unresolved [Bailey et al., Nature 517, 56 (2015) and Nagayama et al., Phys. Rev. Lett. 122, 235001 (2019)]. Systematic errors from temporal gradients are one hypothesis for the discrepancy. Past data recorded on x-ray film provided spectral measurements over a time determined by the 2.8-ns backlighter duration. Here, we present the first measurements of opacity sample temporal evolution using novel hCMOS ultrafast x-ray camera technology. The measured conditions, measured backlighter time history, and modeled opacities are used to show that temporal gradients do not resolve the model-data discrepancy. The methods demonstrated provide potential advantages, including opacities at more extreme conditions, spectral line shift measurements, and improved measurements at other facilities.

atomic spectra↗

DOE OSTI2021

Tungsten disulfide nanotubes enhance flow-induced crystallization and radio-opacity of polylactide without adversely affecting in vitro toxicity

Treatment of vascular disease, from peripheral ischemia to coronary heart disease (CHD), is poised for transformation with the introduction of transient implants designed to “scaffold” regeneration of blood vessels and ultimately leave nothing behind. Improved materials could expand the use of these devices. Here, we examine one of the leading polymers for bioresorbable scaffolds (BRS), polylactide (PLA), as the matrix of nanocomposites with tungsten disulfide (WS 2 ) nanotubes (WSNT), which may provide mechanical reinforcement and enhance radio-opacity. We evaluate in vitro cytotoxicity using vascular cells, flow-induced crystallization and radio-opacity of PLA-WSNT nanocomposites at low WSNT concentration. A small amount of WSNT (0.1 wt%) can effectively promote oriented crystallization of PLA without compromising molecular weight. And radio-opacity improves significantly: as little as 0.5 to 1 wt% WSNT doubles the radio-opacity of PLA-WSNT relative to PLA at 17 keV. The results suggest that a single component, WSNT, has the potential to increase the strength of BRS to enable thinner devices and increase radio-opacity to improve intraoperative visualization. Here, the in vitro toxicity results indicate that PLA-WSNT nanocomposites are worthy of investigation in vivo. Although substantial further preclinical studies are needed, PLA-WSNT nanocomposites may provide a complement of material properties that may improve BRS and expand the range of lesions that can be treated using transient implants.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Parameterizing hot electron energy distributions for tabular emissivities and opacities

Cold Kα and Kβ emission spectroscopy is a powerful diagnostic for plasma conditions and distributions of energetic electrons produced in short pulse laser experiments. SPECT3D post-processes hydrodynamics code output and simulates high-resolution spectra and images for plasmas containing arbitrary distributions of hot electrons, however these calculations can become prohibitively expensive for plasmas requiring complex atomic data and detailed computational grids. To significantly increase calculation speed, it is desirable to use pre-configured opacity tables that include information about hot electrons, rather than calculating emissivity and opacity for every grid point by solving collisional-radiative atomic kinetic rate equations. However, to tabulate such opacities, a general parameter-based description of hot electron energy distributions must be found. To be practical, hot electrons should be represented with an analytic function of just a few parameters which, in addition to temperature and density, can be used to define parameter space for opacity tables. In this paper, we present a method that allows for describing a set of arbitrary binned hot electron distributions with a simple analytic function, with only a modest impact on the accuracy of the simulations. Increased calculation speeds of 50–100x are demonstrated. In conclusion, we also discuss details of opacity calculations and present synthetic spectroscopy data based on post-processing of detailed particle-in-cell simulations relevant to the ongoing experimental campaign at the Omega EP laser facility.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2024

In-depth analysis of solar models with high-metallicity abundances and updated opacity tables

Context. As a result of the high-quality constraints available for the Sun, we are able to carry out detailed combined analyses using neutrino, spectroscopic, and helioseismic observations. These studies lay the ground for future improvements of the key physical components of solar and stellar models because ingredients such as the equation of state, the radiative opacities, or the prescriptions for macroscopic transport processes of chemicals are then used to study other stars in the Universe. Aims. We study the existing degeneracies in solar models using the recent high-metallicity spectroscopic abundances by comparing them to helioseismic and neutrino data and discuss the effect on their properties of changes in the micro and macro physical ingredients. Methods. We carried out a detailed study of solar models computed with a high-metallicity composition from the literature based on averaged 3D models that were claimed to resolve the solar modelling problem. We compared these models to helioseismic and neutrino constraints. Results. The properties of the solar models are significantly affected by the use of the recent OPLIB opacity tables and the inclusion of macroscopic transport. The properties of the standard solar models computed using the OPAL opacities are similar to those for which the OP opacities were used. We show that a modification of the temperature gradient just below the base of the convective zone is required to remove the discrepancies in solar models, particularly in the presence of macroscopic mixing. This can be simulated by a localised increase in the opacity of a few percent. Conclusions. We conclude that the existing degeneracies and issues in solar modelling are not removed by using an increase in the solar metallicity, in contradiction to what has been suggested in the recent literature. Therefore, standard solar models cannot be used as an argument for a high-metallicity composition. While further work is required to improve solar models, we note that direct helioseismic inversions indicate a low metallicity in the convective envelope, in agreement with spectroscopic analyses based on full 3D models.

74 ATOMIC AND MOLECULAR PHYSICS↗

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 OSTI2024

R-matrix calculations for opacities: I. Methodology and computations

Abstract An extended version of the R -matrix methodology is presented for calculation of radiative parameters for improved plasma opacities. Contrast and comparisons with existing methods primarily relying on the distorted wave approximation are discussed to verify accuracy and resolve outstanding issues, particularly with reference to the opacity project (OP). Among the improvements incorporated are: (i) large-scale Breit–Pauli R -matrix calculations for complex atomic systems including fine structure, (ii) convergent close coupling wave function expansions for the ( e + ion) system to compute oscillator strengths and photoionization cross sections, (iii) open and closed shell iron ions of interest in astrophysics and experiments, (iv) a treatment for plasma broadening of autoionizing resonances as function of energy-temperature-density dependent cross sections, (v) a ‘top-up’ procedure to compare convergence with R -matrix calculations for highly excited levels, and (vi) spectroscopic identification of resonances and bound ( e + ion) levels. The present R -matrix monochromatic opacity spectra are fundamentally different from OP and lead to enhanced Rosseland and Planck mean opacities. An outline of the work reported in other papers in this series and those in progress is presented. Based on the present re-examination of the OP work, opacities of heavy elements might require revisions in high temperature-density plasma sources.

Pradhan, A. K. (ORCID:0000000187753643)↗

DOE OSTI2021

Time-dependent density functional theory applied to average atom opacity

We focus on studying the opacity of iron, chromium, and nickel plasmas at conditions relevant to experiments carried out at Sandia National Laboratories. In this work, we calculate the photoabsorption cross sections and subsequent opacity for plasmas using linear-response time-dependent density functional theory (TD-DFT). Our results indicate that the physics of channel mixing accounted for in linear-response TD-DFT leads to an increase in the opacity in the bound-free quasicontinuum, where the Sandia experiments indicate that models underpredict iron opacity. However, the increase seen in our calculations is only in the range of 5%–10%. Further, we do not see any change in this trend for chromium and nickel. This behavior indicates that channel mixing effects do not explain the trends in opacity observed in the Sandia experiments.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2020

Opacity on NIF: Anchor 2 Iron (Level 2 Milestone 7118 Report)

In FY2020 we fulfilled the exit criteria of milestone 7118. We fielded iron opacity experiments at higher densities and temperatures approaching anchor 2 conditions and made good progress on overcoming the problems that we found. This report describes in detail the progress that has been made. We presented the results in a LANL seminar on August 10 and we gave two talks on our results to the National Opacity Workshop Series, one on July 9 and the other on September 14. Before discussing the anchor 2 measurements, we present an update of the NIF anchor 1 data. We did a new analysis of the anchor 1 data and compared the results to a series of calculations using the LANL ATOMIC code. Figures 1 and 2 compare the data with the best-fit to calculations. This result is significantly improved over the result published in Atoms. The differences are small for the iron quasi-continuum between 8-9.5 Å and for the Mg Heα and Lyα lines. The opacities near the centers of the iron bound-bound features also match fairly well in the 9.5-12.5 Å range. However, the opacity windows between the large iron bound-bound features are deeper in the Atomic predictions than the measurement. Furthermore, large discrepancies exist for the Mg He β, γ, and δ lines and for the short-wavelength quasicontinuum. The experiment and analysis refinements described below have set the stage for unraveling these discrepancies. Specifically, we can repeat the Anchor 1 experiments using improved backlighter, hohlraum, and spectrometers to obtain reduced backgrounds and better spectral resolution. Exploiting the AlMg calibration experiments and repeating the Anchor 1 measurements multiple times will enable formal and rigorous uncertainty determination. This well-defined path gives us confidence that high quality opacity data can be obtained on NIF.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

New Conductive Opacities for White Dwarf Envelopes

Thanks to their continuous cooling and relative simplicity, white dwarf stars are routinely used to measure the ages of stellar populations. The usefulness of white dwarfs as cosmochronometers depends on the availability of accurate cooling models. A key ingredient of those models is conductive opacities, which largely govern the cooling rate. In this work, we present improved conductive opacities for the regime of moderate coupling and moderate degeneracy that characterizes an important portion of the envelopes of DA and DB white dwarfs. Here, we find differences of up to a factor of 3 between our calculations and the commonly used opacities of Cassisi et al., which we attribute to an improved account of electron–electron scattering. The cooling models are strongly affected by those changes in the conductive opacities: the age of a 4000 K white dwarf can be reduced by as much as 2 Gyr. We provide analytical fits to our new opacities to facilitate the implementation of this important effect in white dwarf evolution codes.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1976

Treatment of atomic and molecular line blanketing by opacity sampling

A sampling technique for treating the radiative opacity of large numbers of atomic and molecular lines in cool stellar atmospheres is subjected to several tests. In this opacity sampling (OS) technique, the global opacity is sampled at only a selected set of frequencies, and at each of these frequencies the total monochromatic opacity is obtained by summing the contribution of every relevant atomic and molecular line. In accord with previous results, we find that the structure of atmospheric models is accurately fixed by the use of 1000 frequency points, and 100 frequency points are adequate for many purposes. The effects of atomic and molecular lines are separately studied. A test model computed using the OS method agrees very well with a model having identical atmospheric parameters, but computed with the giant line (opacity distribution function) method.

Johnson, H. R.↗

NASA NTRS1983

The microwave opacity of Saturn's rings at wavelengths of 3.6 and 13 cm from Voyager 1 radio occultation

Information obtained about Saturn's rings through radio occultation observations with Voyager 1 is discussed. The experimental aspects are addressed, including the positional relationships and relative motions of the spacecraft, rings, and earth, the radio system, observables, microwave opacity, and diffraction. The data characteristics, reduction procedures, calibrations, and corrections are described, and results are presented for the opacity, complex extinction, and diffraction. Ring C is found to exhibit a gently undulating structure of normal opacity, except for several narrow imbedded ringlets. The normalized differential opacity indicates a substantial fraction of centimeter-size particles. In the Cassini division, the opacity appears to be nearly independent of wavelength. Ring A appears to be nearly homogeneous over much of its width, but with considerable thickening near its inner boundary with the Cassini division.

Tyler, G. L.↗

NASA NTRS1989

An opacity-sampled treatment of water vapor

Although the bands of H2O are strong in the spectra of cool stars and calculations have repeatedly demonstrated their significance as opacity sources, only approximate opacities are currently available, due both to the difficulty of accounting for the millions of lines involved and to the inadequacy of laboratory and theoretical data. To overcome these obstacles, a new treatment is presented, based upon a statistical representation of the water vapor spectrum derived from available laboratory data. This statistical spectrum of water vapor employs an exponential distribution of line strengths and random positions of lines whose overall properties are forced to reproduce the mean opacities observed in the laboratory. The resultant data set is then treated by the opacity-sampling method exactly as are all other lines, both molecular and atomic. Significant differences are found between the results of this improved treatment and the results obtained with previous treatments of water-vapor opacity.

Alexander, David R.↗

NASA NTRS1999

Research on Spectroscopy, Opacity, and Atmospheres

To make my calculations more readily accessible I have set up a web site cfaku5.harvard.edu that can also be accessed by FTP. it has 5 9GB disks that hold all of my atomic and diatomic molecular data, my tables of distribution function opacities, my grids of model atmospheres, colors, fluxes, etc, my program that are ready for distribution, most of my recent papers. Atlases and computed spectra will be added as they are completed. New atomic and molecular calculations will be added as they are completed. I got my atomic programs that had been running on a Cray at the San Diego Supercomputer Center to run on my Vaxes and Alpha. I started with Ni and Co because there were new laboratory analyses that included isotopic and hyperfine splitting. Those calculations are described in the appended abstract for the 6th Atomic Spectroscopy and oscillator Strengths meeting in Victoria last summer. A surprising finding is that quadrupole transitions have been grossly in error because mixing with higher levels has not been included. I now have enough memory in my Alpha to treat 3000 x 3000 matrices. I now include all levels up through n=9 for Fe I and 11, the spectra for which the most information is available. I am finishing those calculations right now. After Fe I and Fe 11, all other spectra are "easy", and I will be in mass production. ATL;LS12, my opacity sampling program for computing models with arbitrary abundances, has been put on the web server. I wrote a new distribution function opacity program for workstations that replaces the one I used on the Cray at the San Diego Supercomputer Center. Each set of abundances would take 100 Cray hours costing $100,000. 1 ran 25 cases. Each of my opacity CDs contains three abundances. I have a new program -iinning on the Alpha that takes about a week. I am going to have to get a faster processor or I will have to dedicate a whole workstation just to opacities.

Kurucz, Robert L.↗

NASA NTRS2006

Night and Day: The Opacity of Clouds Measured by the Mars Orbiter Laser Altimeter (MOLA)

The Mars Orbiter Laser Altimeter (MOLA) [l] on the Mars Global Surveyor spacecraft ranged to clouds over the course of nearly two Mars years [2] using an active laser ranging system. While ranging to the surface, the instrument was also able to measure the product of the surface reflectivity with the two-way atmospheric transmission at 1064 nm. Furthermore, the reflectivity has now been mapped over seasonal cycles using the passive radiometric capability built into MOLA [3]. Combining these measurements, the column opacity may be inferred. MOLA uniquely provides these measurements both night and day. This study examines the pronounced nighttime opacity of the aphelion season tropical water ice clouds, and the indiscernibly low opacity of the southern polar winter clouds. The water ice clouds (Figure 1) do not themselves trigger the altimeter but have measured opacities tau > 1.5 and are temporally and spatially correlated with temperature anomalies predicted by a Mars Global Circulation Model (MGCM) that incorporates cloud radiative effects [4]. The south polar CO2 ice clouds trigger the altimeter with a very high backscatter cross-section over a thickness of 3-9 m and are vertically dispersed over several km, but their total column opacities lie well below the MOLA measurement limit of tau = 0.7. These clouds correspond to regions of supercooled atmosphere that may form either very large specularly reflecting particles [2] or very compact, dense concentrations (>5x10(exp 6)/cu m) of 100-p particles

Neumann, G. A.↗