Ab initio calculated dynamic structure factor and optical properties of beryllium along the Hugoniot

Abstract

Beryllium is an ablator material in the inertial-confinement fusion and hypervelocity impact studies. The thermoelastic properties, structure factors, and optical properties of beryllium are important in the study. In this paper, the static structure factors, ion-ion dynamic structure factors, adiabatic velocity, and optical properties of beryllium along the Hugoniot are calculated by ab initio simulations concurrently. The dynamic structure factor via the intermediate scattering function extracts the dispersion relation for the collective excitations. The static structure factors show that beryllium atoms are randomly distributed. By collecting the peak position of dynamic structure factors, the dispersion relation and adiabatic sound velocity are derived. By the calculated equation of state, the thermoelastic properties and adiabatic sound velocity are derived. The two calculated methods about adiabatic sound velocity are verified to be equivalent