Dynamics in the Metabasin Space of a Lennard-Jones Glass Former: Connectivity and Transition Rates

Abstract

Using simulations, we construct the effective dynamics in metabasin space for a Lennard-Jones glass-former. Metabasins are identified via a scheme that measures transition rates between inherent structures, and generates clusters of inherent structures by drawing in branches that have the largest transition rates. The effective dynamics is shown to be Markovian but differs significantly from the simplest trap models. We specifically show that retaining information about the connectivity in metabasin space is crucial for reproducing the slow dynamics observed in this system.

8 pages, 10 figures. References add. A typo corrected

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• Changes of graph structure of transition probability matrices indicate the slowest kinetic relaxations
• Mean first passage times reconstruct the slowest relaxations in potential energy landscapes of nanoclusters