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Time-dependent density functional theory applied to average atom opacity.

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Summary
This summary is machine-generated.

This study investigated plasma opacity for iron, chromium, and nickel using time-dependent density functional theory. Results show channel mixing effects do not fully explain experimental opacity trends observed in Sandia National Laboratories experiments.

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Area of Science:

  • Plasma physics
  • Computational materials science
  • Quantum chemistry

Background:

  • Sandia National Laboratories experiments revealed underpredictions in iron plasma opacity models.
  • Accurate opacity calculations are crucial for understanding astrophysical phenomena and inertial confinement fusion.

Purpose of the Study:

  • To investigate the opacity of iron, chromium, and nickel plasmas under conditions relevant to Sandia National Laboratories experiments.
  • To assess the role of channel mixing physics in explaining discrepancies between theoretical models and experimental opacity data.

Main Methods:

  • Calculated photoabsorption cross sections and plasma opacity using linear-response time-dependent density functional theory (TD-DFT).
  • Focused on conditions relevant to high-energy-density plasma experiments.

Main Results:

  • Linear-response TD-DFT predicts a 5%-10% increase in opacity due to channel mixing in the bound-free quasicontinuum.
  • This predicted increase is insufficient to explain the underpredictions observed in iron opacity experiments.
  • No significant change in opacity trends was observed for chromium and nickel plasmas.

Conclusions:

  • Channel mixing effects, as modeled by linear-response TD-DFT, do not fully account for the opacity trends observed in Sandia experiments.
  • Further theoretical developments or alternative physical mechanisms are needed to reconcile models with experimental opacity data for iron, chromium, and nickel plasmas.