Equation of state of CH1.36: First-principles molecular dynamics simulations and shock-and-release wave speed measurements

摘要: We report the computation and measurement of equation state a plastic with composition CH${}_{1.36}$. The computational scheme employed is density functional theory based molecular dynamics, at conditions: 1.8 g/cm${}^{3}$ $l\ensuremath{\rho}l10$ g/cm${}^{3}$, 4000 K $lTl$ 100 000 K. Experimental measurements are shock speeds in geometry which directly abutting different material, liquid deuterium, from release wave behavior can be deduced. After fitting our computed pressure internal energy Mie-Gr\"uneisen free model, we predict principal Hugoniot various shock-and-release paths show that they agree both recently published laser-shock data new regarding on release. also establish that, least particular $(\ensuremath{\rho},T)$ range considered, this complex two-component material well described by an equal temperature mixture pure C H equations composition-weighted additive-volume assumption. This observation, together fit to limited-range simulation data, form basis for construction accurate wide-range model plastic. Implications its use as ablator inertial confinement fusion capsules discussed.