Multiphase equations of state for magnesium oxide, silicon dioxide, and forsterite

ORAL

Abstract

We detail new extended range multiphase equations of state for MgO, SiO$_2$, and Mg$_2$SiO$_4$. Particular attention is paid to the warm dense liquid regime where we have performed density functional theory (DFT) based quantum molecular dynamics for densities up to 3 times ambient density and temperatures up to 100 eV. Additionally we make use of DFT results to constrain the EOS for thermally excited solids phases and the melt curve. Significant comparisons are made with experimental data and distinction is made between the accuracies of the simulation and experimental data.

Authors

  • Travis Sjostrom

    LANL, Los Alamos National Laboratory