Investigation of the relation between local diffusivity and local inherent structures in the Kob-Andersen Lennard-Jones model

Abstract

We analyze one thousand independent equilibrium trajectories of a system of 155 Lennard Jones particles to separate in a model-free approach the role of temperature and the role of the explored potential energy landscape basin depth in the particle dynamics. We show that the diffusion coefficient $D$ can be estimated as a sum over over contributions of the sampled basins, establishing a connection between thermodynamics and dynamics in the potential energy landscape framework. We provide evidence that the observed non-linearity in the relation between local diffusion and basin depth is responsible for the peculiar dynamic behavior observed in supercooled states and provide an interpretation for the presence of dynamic heterogeneities.

minor text changes, references added

References in corpus (12)

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• Potential Energy Landscape of TIP4P/2005 water
• Length scale dependence of the Stokes-Einstein and Adam-Gibbs relations in model glass formers
• Glass Polymorphism in TIP4P/2005 Water: A Description Based on the Potential Energy Landscape Formalism
• Connecting short and long time dynamics in hard-sphere-like colloidal glasses
• Understanding Stokes-Einstein Relation in Supercooled Liquids using Random Pinning
• Deformation of inherent structures to detect long-range correlations in supercooled liquids
• Life and Death of a Thin Liquid Film
• "Swarm relaxation": Equilibrating a large ensemble of computer simulations
• Starting from the amorphous ground state: linking landscape thermodynamics to slow dynamics and crossover
• MD Simulations of Charged Binary Mixtures Reveal a Generic Relation Between High- and Low-Temperature Behavior