Multiphase tin equation of state using density functional theory

We discuss a new five-phase equation of state of tin, referred to as SESAME 2162. Density functional theory (DFT) calculations of the solid phases and liquid phase are performed, including calculations of the cold curves of the solid phases, phonon calculations in the quasi-harmonic approximation over a range of volumes for each solid phase, and DFT-based molecular dynamics (DFT-MD) calculations of the liquid phase. Using the DFT results and existing experimental data, we construct a multiphase SESAME equation of state for tin. Comparisons to experiments show an overall high level of agreement in isobaric, isothermal, shock, and phase boundary data, including measurements of the melt curve.