Transport properties of a high Z, low Z mixtures with varying concentration

ORAL

Abstract

Large-scale molecular dynamics (MD) simulations in an orbital-free (OF) density-functional theory (DFT) formulation have been performed for pure and mixed species over a broad range of temperatures and densities that includes the warm, dense matter and high-energy density physics regimes. A finite-temperature Thomas-Fermi-Dirac form with a local-density exchange-correlation potential and a regularized electron-ion interaction represents the quantum nature of the electrons. We examine the mass transport (diffusion, shear viscosity) properties of a mixture of light and heavy elements. We focus on Hydrogen-Silver mixtures with varying concentration at fixed pressure and temperature. These results will be fitted to simple functions of mass density and temperature, functions suitable for use in large-scale hydrodynamics simulation codes.

Authors

  • Christopher Ticknor

    Los Alamos Natl Lab, Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM87545 USA

  • Lee Collins

    Los Alamos Natl Lab, Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM87545 USA

  • Joel Kress

    Los Alamos Natl Lab, Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM87545 USA

  • jean Clerouin

    CEA, DAM, DIF, F-91297 Arpajon, France, CEA,DAM,DIF 91297 Arpajon France

  • Gregory Robert

    CEA, DAM, DIF, F-91297 Arpajon, France

  • Philippe Arnault

    CEA, DAM, DIF, F-91297 Arpajon, France, CEA,DAM,DIF 91297 Arpajon France