Equations of state of mixtures: Density functional theory (DFT) simulations and experiments on Sandia's z machine
Abstract
Mixtures of materials are expected to behave quite differently from their isolated constituents, particularly when the constituents atomic numbers differ significantly. To investigate the mixture behavior, we performed density functional theory (DFT) calculations on xenon/hydrogen (deuterium) mixtures. Since the DFT simulations treat electrons and nuclei generically, simulations of pure and mix systems are expected to be of comparable accuracy, and we present a method to simulate mixtures at constant pressure, an approach that makes comparisons between different mix models straightforward.
 Publication:

Shock Compression of Condensed Matter  2011
 Pub Date:
 March 2012
 DOI:
 10.1063/1.3686494
 Bibcode:
 2012AIPC.1426.1195M