4.7 Article

Time-dependent density functional theory applied to average atom opacity

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PHYSICAL REVIEW E
卷 103, 期 4, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevE.103.043206

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  1. United States Department of Energy [DEAC52-06NA25396]

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The study focused on the opacity of iron, chromium, and nickel plasmas under experimental conditions at Sandia National Laboratories. Calculations showed that channel mixing effects slightly increased opacity in iron plasmas, but did not affect chromium and nickel plasmas. This indicates that channel mixing effects do not explain the opacity trends observed in the experiments.
We focus on studying the opacity of iron, chromium, and nickel plasmas at conditions relevant to experiments carried out at Sandia National Laboratories [J. E. Bailey et al., Nature (London) 517, 56 (2015)]. 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.

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