Pseudo-atom molecular dynamics for warm dense plasma mixtures

ORAL

Abstract

We have developed a new method for calculating the thermodynamics of warm dense mixtures. It combines an average atom-like approach to calculate the electronic structure of one ``pseudo-atom'' with classical molecular dynamics (MD) for the ionic structure. The result is a model in which both electronic and ionic structures of a plasma can be calculated rapidly and the resulting thermodynamics agree excellently with the much more expensive {\it ab initio} DFT-MD methods. We will present an outline of the new method and comparisons with DFT-MD for the ion-ion structure and the thermodynamics.

Authors

  • Charles Starrett

    Los Alamos National Laboratory

  • Jerome Daligault

    Los Alamos National Laboratory

  • Didier Saumon

    Los Alamos National Laboratory