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14 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Pseudoatom molecular dynamics plasma microfields

Spectral lines are powerful diagnostic tools for both laboratory and astrophysical plasmas, as their shape is sensitive to the plasma environment. The low-frequency component of the electric microfield is an important input for semi-analytic line broadening codes. Here, in this paper, we detail a new method of calculating plasma microfields using configuration-resolved pseudoatom molecular dynamics. This approach accounts for both quantum atomic structure and N-body effects, similar to density functional theory molecular dynamics, but with less computational cost. We present pseudoatom microfields at plasma conditions relevant for recent high energy density laboratory astrophysics experiments conducted at the Sandia Z-Machine, National Ignition Facility, and Linac Coherent Light Source. Compared to established microfield codes we find moderate deviations at solid density conditions and strong agreement at lower plasma densities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1975

Effects of plasma microfields on radiative transitions from atomic levels above the ionization threshold

The effects of plasma electric microfields on line-like optical features arising from atomic levels above the ionization threshold are investigated within the framework of the quasi-static and single-frequency dynamic-field theories of spectral-line broadening. The 2p(23)P to 1s2p(3)P and 2s2p(3)P to 1s2s(3)S transitions in helium and helium-like ions are treated as examples. The mixing of the doubly excited levels in the perturbing microfields produces Stark broadening of the emission lines and induces autoionization of the 2p(23)P level, which, unlike the 2s2p(3)P level, is metastable against autoionization in the field-free environment. Determination of the complete Stark-broadening profiles in thermal plasmas is complicated by the need to include the effects of both the (quasi-static) ion and the (dynamic) electron fields. Under nonequilibrium conditions, where electric fields from either electron or ion plasma waves can far exceed nearby particle fields, the calculation and interpretation of the line shapes may be simplified and could provide a diagnostic probe of the wave-field properties.

Davis, J.↗
NASA NTRS1976

Enhancement of dielectronic recombination by plasma electric microfields

A description is presented of an application of techniques from Stark-broadening theory considered by Griem (1974) to the computation of dielectronic recombination rated for multiply charged Fe ions under the influence of plasma electric microfields. Attention is given to a dielectronic recombination process for which the effects of surrounding charged particles have been found to be important at surprisingly low densities.

Jacobs, V. L.↗
DOE OSTI2026

Quantum fluctuations in dense plasma simulations

Molecular dynamics (MD) simulations are a powerful tool for modeling warm and hot dense matter. Density functional theory (DFT) MD simulations are often preferred in dense plasmas in order to accurately model quantum electronic structure. However, DFT-MD simulations neglect interaction effects due to fluctuations in excited states. In this work, we present an MD approach that uses excited state method pseudoatoms to run dense plasma simulations with many different core-electron configurations at classical MD speeds. We also allow for transitions between different configurations in our simulations and find that these fluctuations are especially important for highly excited states. Our results suggest that finite configuration lifetimes that are comparable to the inverse ion plasma frequency need to be accounted for in order to accurately model ion distributions in dense plasma simulations. We also demonstrate that excited state fluctuations have a direct impact on ion plasma microfields, generate different plasma microfields for different excitation levels, and thereby induce absorption–emission line shape asymmetries even in steady-state plasmas.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Partial redistribution in high-density, highly ionized plasmas

The conditions for which partial redistribution functions must be used for radiation transport in high-Z, high-density, laser-produced plasmas are examined. A previously developed two-photon formalism based on the model microfield method is used to calculate redistribution functions including electron and ion Stark broadening with ion dynamic effects. The competition between the relaxation rates and spontaneous emission is shown to determine the conditions for partial redistribution. The discussion makes use of microfield fluctuation rates and broadening coefficients which can be determined from simulation calculations. The redistribution function for the Ly-alpha transition of Ar XVIII is presented for typical plasma conditions.

Talin, B.↗
DOE OSTI2026

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↗
NASA NTRS1977

Stark shift in ionized boron

Stark shift of the B II line at 3451 A due to plasma microfields was measured in a luminous shock tube. Line profiles, photographically recorded in second order, were compared with closeby wavelength fiduciaries from low-pressure rare-gas lamps. Electron densities for each exposure were found by fitting H-beta profiles to theoretical line shapes. Results, estimated reliable to 25-30%, are compared with theoretical predictions.

Miller, M. H.↗
NASA NTRS1977

A shock tube study of line broadening in a temperature range of 6100 to 8300 K

Line widths of the Ca(II) 3968 A and Na(I) 5890 A resonance lines broadened by electric microfields in a plasma were measured. A pressure-driven shock tube was used as the light source. Radiation from the equilibrium region behind the reflected shock wave was studied using a rapid scanning Fabry-Perot interferometer. Electron and argon atom densities of about 8 x 10 to the 16th and 1 x 10 to the 19th/cu cm, respectively, were achieved at the relatively low temperature of around 7500 K by vaporizing a cesium powder that had been added to the shock tube as a solid aerosol in argon gas. The measured line widths were predominantly Stark broadened by the electrons and ions in the plasma, although Doppler, van der Waals, instrument function and optical depth effects had to be taken into account.

Baur, J. F.↗
NASA NTRS1992

Dielectronic recombination as a function of electric field strength

Dielectronic recombination (DR) is the dominant recombination mechanism at coronal temperatures and densities. We present a procedure for calculating DR rate coefficients as a function of electric field strength and apply this method to carbon ions. We focus on the competing effects of enhancement by plasma microfields and rate decrease through collisional excitation and ionization. We find that, in the case of C(3+), a significant rate enhancement results, leading to a reinterpretation of C IV emission-line intensities in the sun and late-type stars. We further consider how macroscopic electric fields, in particular motional electric fields, can affect DR rate coefficients, demonstrating dramatic rate increases for a number of the carbon ions.

Reisenfeld, Daniel B.↗