Computer Simulations and Mode-Coupling Theory of Glass-Forming Confined Hard-Sphere Fluids

Abstract

We present mode-coupling theory (MCT) results for densely packed hard-sphere fluids confined between two parallel walls and compare them quantitatively to computer simulations. The numerical solution of MCT is calculated for the first time using the full system of matrix-valued integro-differential equations. We investigate several dynamical properties of supercooled liquids including scattering functions, frequency-dependent susceptibilities and mean-square displacements. Close to the glass transition, we find quantitative agreement between the coherent scattering function predicted from theory and evaluated from simulations, which enables us to make quantitative statements on caging and relaxation dynamics of the confined hard-sphere fluid.