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.
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Authors
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Charles Starrett
Los Alamos National Laboratory
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Jerome Daligault
Los Alamos National Laboratory
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Didier Saumon
Los Alamos National Laboratory