Entropy Scaling of Molecular Dynamics in a Prototypical Anisotropic Model near the Glass Transition

Abstract

Abstract Mysteries of dynamics and thermodynamics of molecular systems in the vicinity of the boundary between thermodynamically nonequilibrium glassy and metastable supercooled liquid states are still incompletely discovered and their theoretical and simulation models are imperfect despite many previous efforts. Among them, the role of total system entropy, configurational entropy, and excess entropy in the temperature-pressure or temperature-density dependence of global molecular dynamics timescale relevant to the glass transition is an essential topic intensively studied for over half of a century. By exploiting a well-known simple ellipsoidal model recently successfully applied to simulate the supercooled liquid state and the glass transition, we gain a new insight into the different views on the relationship between entropy and relaxation dynamics of glass formers, showing the molecular grounds for the entropy scaling of global molecular dynamics timescale.