Dynamics of a metastable liquid: comparison of results from two different approaches

Abstract

One component Lennard-Jones fluid in the supercooled state has been recently studied by Angelani et al. [1] using the master equation approach to model the dynamics in the configuration space. Here we consider these results in the context of the extended mode coupling model (MCT). The crucial parameter related to the ergodicity restoring processes in the theoretical model is chosen such that transport coefficients calculated from the two approaches match. This parameter follows an activated behavior in order to produce the Arrhenius-type temperature dependence for the viscosity, as found in the master equation approach. Using the corresponding parameter values, we compute other dynamical properties of the supercooled LJ system.