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A new multiphase equation of state table for Ni

ORAL

Abstract

We present the development of a wide-range multiphase equation of state (EOS) table for Ni, which consists of a single solid (fcc) phase and a liquid phase. We constructed it by fitting to multiple types of available experimental data, including DAC isotherms, the principal Hugoniot, thermal expansion at ambient pressure, and melt data. In addition, we performed and incorporated ab initio FLPMTO calculations for Ni solids in the high-pressure regime that is deprived of experiments. The electron-thermal free energy model of the Ni EOS is based on an atom-in-jellium DFT model computed by the Lawrence Livermore National Laboratory (LLNL) code Purgatorio, which is an improvement over the Thomas Fermi model used by the current LLNL Ni EOS. In this talk we will present the details of our free energy models and discuss the performance of this new EOS against experiments.

Presenters

  • Carrie Prisbrey

    Lawrence Livermore National Laboratory

Authors

  • Carrie Prisbrey

    Lawrence Livermore National Laboratory

  • Per Soderlind

    Lawrence Livermore National Laboratory

  • Christine J Wu

    Lawrence Livermore National Laboratory, Lawrence Livermore National Lab, Lawrence Livermore Natl Lab