Thermophysical properties for shock compressed polystyrene
arXiv:1101.4793 · doi:10.1063/1.3625273
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.
4.2 pages, 3 figures
References in corpus (1)
Cited by in corpus (7)
- First-principles Equation of State and Shock Compression Predictions of Warm Dense Hydrocarbons
- Path integral Monte Carlo simulations of dense carbon-hydrogen plasmas
- Finite-temperature coupled cluster: Efficient implementation and application to prototypical systems
- Ab initio calculation of thermodynamic, transport, and optical properties of CH plastics
- Ethane-xenon mixtures under shock conditions
- Plane-Wave-Based Stochastic-Deterministic Density Functional Theory for Extended Systems
- Structural, thermodynamic, and transport properties of CH plasma in the two-temperature regime