Shock compression of vanadium at extremes: Theory and experiment

The equation of state (EOS) and shock compression of bulk vanadium were investigated using canonical ab initio molecular dynamic simulations, with experimental validation to 865 GPa from shock data collected at Sandia's Z Pulsed Power Facility. In simulations the phase space was sampled along isotherms ranging from 3000 K to $50\phantom{\rule{0.16em}{0ex}}000$ K, for densities between $\ensuremath{\rho}=3$ and $15\phantom{\rule{0.16em}{0ex}}\mathrm{g}/{\mathrm{cm}}^{3}$, with a focus on the liquid regime and the body-centered-cubic phase in the vicinity of the melting limit. The principal Hugoniot predicted from first principles is overall consistent with shock data, while it showed that current multiphase SESAME-type EOS for vanadium needed revision in the liquid regime. A more accurate SESAME EOS was developed using constraints from experiments and simulations. This work emphasizes the need to use a combined theoretical and experimental approach to develop high-fidelity EOS models for extreme conditions.