APS Logo

First-Principles Equation of State Database for Warm Dense Matter Computation

ORAL

Abstract

We put together an equation of state database for matter at extreme conditions by combining results from path integral Monte Carlo and density functional molecular dynamics simulations of eleven elements and ten compounds. For all these materials, we provide the pressure and internal energy over a wide density-temperature range from 0.5 to 50 g/cc and from 105 to 109 K, which are based on 5000 first-principles simulations. We compute isobars, adiabats and shock Hugoniot curves in the regime of L and K shell ionization. Invoking the linear mixing approximation, we study the properties of mixtures at high density and temperature. We derive the Hugoniot curves for water and alumina as well as for various carbon-oxygen, helium-neon, and CH-silicon mixtures and predict their maximal shock compression ratio. Finally we employ the database to determine the points of maximum shock compression for all possible binary mixtures. We identify mixtures that have a higher shock compression than their endmembers. We discuss trends common to all mixtures in pressure-temperature and particle-shock velocity spaces.

–

Presenters

  • Burkhard Militzer

    Department of Earth and Planetary Science, University of California, Berkeley, California 94720, USA, University of California, Berkeley, Department of Earth and Planetary Science, University of California, Berkeley, University of California, Berkeley, Earth and Planetary Science, University of California Berkeley

Authors

  • Burkhard Militzer

    Department of Earth and Planetary Science, University of California, Berkeley, California 94720, USA, University of California, Berkeley, Department of Earth and Planetary Science, University of California, Berkeley, University of California, Berkeley, Earth and Planetary Science, University of California Berkeley

  • Felipe Gonzalez

    Department of Earth and Planetary Science, University of California, Berkeley, California 94720, USA, University of California, Berkeley, University of California, Berkeley

  • Kevin P Driver

    Lawrence Livermore National Laboratory

  • Shuai Zhang

    University of Rochester, Laboratory for Laser Energetics, University of Rochester, Laboratory of Laser Energetics, University of Rochester

  • Francois Soubiran

    CEA