Improving dynamic collision frequencies: Impacts on dynamic structure factors and stopping powers in warm dense matter


Improving dynamic collision frequencies: Impacts on dynamic structure factors and stopping powers in warm dense matter

Hentschel, T. W.; Kononov, A.; Olmstead, A.; Cangi, A.; Baczewski, A. D.; Hansen, S. B.

Simulations and diagnostics of high-energy-density plasmas and warm dense matter rely on models of material response properties, both static and dynamic (frequency-dependent). Here, we systematically investigate variations in dynamic electron–ion collision frequencies ν(ω) in warm dense matter using data from a self-consistent-field average-atom model. We show that including the full quantum density of states, strong collisions, and inelastic collisions lead to significant changes in ν(ω) ⁠. These changes result in red shifts and broadening of the plasmon peak in the dynamic structure factor, an effect observable in x-ray Thomson scattering spectra, and modify stopping powers around the Bragg peak. These changes improve the agreement of computationally efficient average-atom models with first-principles time-dependent density functional theory in warm dense aluminum, carbon, and deuterium.

Keywords: Matter under extreme conditions; High-energy density science; Density functional theory; Time-dependent density functional theory; Average-atom models; Warm dense matter; Collision frequencies; X-ray Thomson scattering

Permalink: https://www.hzdr.de/publications/Publ-37074