Thermophysical properties for shock compressed polystyrene

TL;DR

This study uses quantum molecular dynamics to investigate the thermophysical properties of polystyrene under shock compression, revealing ionization effects, electrical conductivity, and a nonmetal-to-metal transition consistent with experimental data.

Contribution

It provides detailed simulations of warm dense polystyrene at high pressures, including ionization effects and optical properties, advancing understanding of its behavior under shock compression.

Findings

Good agreement with experimental data

Identification of nonmetal-to-metal transition

Calculation of optical and electrical properties

Abstract

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.