Investigation of α-phase and liquid uranium by the method of quantum molecular dynamics

Abstract

The thermodynamic properties of α-phase and liquid uranium have been investigated by the method of quantum molecular dynamics. The isotherms and equilibrium properties (pressure, temperature, and internal energy) along isochores and isotherms have been calculated for densities of 16.5–41.1 g/cm³ and temperatures up to 60000 K. The dependence of the thermal pressure on temperature and internal energy is analyzed. The melting boundary of α-phase uranium is estimated. The shock adiabat is calculated for pressures up to 1.5 TPa based on the equation of state derived here. The results obtained are in good agreement with the published experimental data and the results of calculations according to different theoretical models.