Structural and Dynamical Anomalies of a Gaussian Core Fluid: a Mode Coupling Theory Study (1004.0012v1)

Abstract: We present a theoretical study of transport properties of a liquid comprised of particles uist1:/home/sokrates/egorov/oldhome/Pap41/Submit > m abs.tex We present a theoretical study of transport properties of a liquid comprised of particles interacting via Gaussian Core pair potential. Shear viscosity and self-diffusion coefficient are computed on the basis of the mode-coupling theory, with required structural input obtained from integral equation theory. Both self-diffusion coefficient and viscosity display anomalous density dependence, with diffusivity increasing and viscosity decreasing with density within a particular density range along several isotherms below a certain temperature. Our theoretical results for both transport coefficients are in good agreement with the simulation data.