Physics – Condensed Matter – Materials Science
Scientific paper
2011-01-25
Physics
Condensed Matter
Materials Science
4.2 pages, 3 figures
Scientific paper
We have performed quantum molecular dynamic simulations for warm dense polystyrene at high pressures. The principal Hugoniot up to 790 GPa is derived from wide range equation of states, where contributions from atomic ionizations are semiclassically determined. The optical conductivity is calculated via the Kubo-Greenwood formula, from which the dc electrical conductivity and optical reflectivity are determined. The nonmetal-to-metal transition is identified by gradual decomposition of the polymer. Our results show good agreement with recent high precision laser-driven experiments.
He Xian-Tu
Wang Cong
Zhang Ping
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