MOLECULAR-DYNAMICS MODELING OF THE HUGONIOT OF SHOCKED LIQUID DEUTERIUM

摘要

Using our previously-developed hydrogen tight-binding model, we performed equilibrium molecular dynamics simulations to obtain the internal energy and pressure of the deuterium fluid at 39 separate (density, temperature) points. Our simulations are thought to represent the energetics of fluid hydrogen accurately, including molecular dissociation. We fit the thermodynamically-consistent simulation data with a virial expansion, obtaining a high-quality equation of state (EOS) fit. The fitting data span the ranges 0.58 < rho(D)< 1.47 g/cm(3) and 3000 < Tau < 31 250 K, and the deduced EOS is thought to have a similar range of reliability. Our Hugoniot for shocked liquid deuterium shows a sharp rise in pressure and temperature at around 0.65-0.70 g/cm(3). We compare our theoretical Hugoniot to recent experimental and theoretical results. [References: 40]