title: Diffusivity in asymmetric Yukawa ionic mixtures in dense plasmas.
abstract: In this paper we present molecular dynamics (MD) calculations of the interdiffusion coefficient for asymmetric mixed plasma for thermodynamic conditions relevant to astrophysical and inertial confinement fusion plasmas. Specifically, we consider mixtures of deuterium and argon at temperatures of 100-500 eV and a number density ∼10(25) ions/cm(3). The motion of 30,000-120,000 ions is simulated in which the ions interact via the Yukawa (screened Coulomb) potential. The electric field of the electrons is included in this effective interaction; the electrons are not simulated explicitly. The species diffusivity is then calculated using the Green-Kubo approach using an integral of the interdiffusion current autocorrelation function, a quantity calculated in the equilibrium MD simulations. Our MD simulation results show that a widely used expression relating the interdiffusion coefficient with the concentration-weighted sum of self-diffusion coefficients overestimates the interdiffusion coefficient. We argue that this effect due to cross-correlation terms in velocities is characteristic of asymmetric mixed plasmas. Comparison of the MD results with predictions of kinetic theories also shows a discrepancy with MD giving effectively a larger Coulomb logarithm.
authors.affiliation: Lawrence Livermore National Laboratory, Livermore, California 94550, USA.
authors.forename: Tomorr
authors.initials: T
authors.lastname: Haxhimali
authors.affiliation: Lawrence Livermore National Laboratory, Livermore, California 94550, USA.
authors.forename: Robert E
authors.initials: RE
authors.lastname: Rudd
authors.affiliation: Lawrence Livermore National Laboratory, Livermore, California 94550, USA.
authors.forename: William H
authors.initials: WH
authors.lastname: Cabot
authors.affiliation: Lawrence Livermore National Laboratory, Livermore, California 94550, USA.
authors.forename: Frank R
authors.initials: FR
authors.lastname: Graziani
mesh_terms: D001128:Argon / Q000737:chemistry*; D003903:Deuterium / Q000737:chemistry*; D004058:Diffusion; D004560:Electricity; D004583:Electrons; D057446:Hydrodynamics; D007477:Ions / Q000737:chemistry*; D007700:Kinetics; D056004:Molecular Dynamics Simulation; D013816:Thermodynamics
chemical_list: D007477:Ions; D001128:Argon; D003903:Deuterium