Dynamical properties of densely packed confined hard-sphere fluids

Phys Rev E. 2020 Jul;102(1-1):012612. doi: 10.1103/PhysRevE.102.012612.

Abstract

Numerical solutions of the mode-coupling theory (MCT) equations for a hard-sphere fluid confined between two parallel hard walls are elaborated. The governing equations feature multiple parallel relaxation channels which significantly complicate their numerical integration. We investigate the intermediate scattering functions and the susceptibility spectra close to structural arrest and compare to an asymptotic analysis of the MCT equations. We corroborate that the data converge in the β-scaling regime to two asymptotic power laws, viz. the critical decay and the von Schweidler law. The numerical results reveal a nonmonotonic dependence of the power-law exponents on the slab width and a nontrivial kink in the low-frequency susceptibility spectra. We also find qualitative agreement of these theoretical results to event-driven molecular dynamics simulations of polydisperse hard-sphere systems. In particular, the nontrivial dependence of the dynamical properties on the slab width is well reproduced.