Structural and Dynamical Anomalies of a Gaussian Core Fluid: a Mode Coupling Theory Study

摘要

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