Equations of state and transport properties of warm dense beryllium: A quantum molecular dynamics study
Cong Wang, Yao Long, Ming-Feng Tian, Xian-Tu He, and Ping Zhang
Accepted
We have calculated the equation of states, the viscosity and self-diffusion coefficients, and electronic transport coefficients of beryllium in the warm dense regime for densities from 4.0 to 6.0 g/cm3 and temperatures from 1.0 to 10.0 eV by using quantum molecular dynamics simulations. The principal Hugoniot is in agreement with underground nuclear explosive and high power laser experimental results up to ~ 20 Mbar. The calculated viscosity and self-diffusion coefficients are compared with the one-component plasma model, using effective charges given by the average-atom model. The Stokes-Einstein relationship which connects viscosity and self-diffusion coefficients, is found to hold fairly well in the strong coupling regime. The Lorenz number, which is the ratio between thermal and electrical conductivities, is computed via Kubo-Greenwood formula and compared to the well-known Wiedemann-Franz law in the warm dense region.