Markov State Modeling of Sliding Friction

F. Pellegrini, F.P. Landes, A. Laio, S. Prestipino, E. Tosatti

Abstract:

Markov State Modeling has recently emerged as a key technique for analyzing rare events in ther-
mal equilibrium molecular simulations and finding metastable states. Here we export this technique
to the study of friction, where strongly non-equilibrium events are induced by an external force. The
approach is benchmarked on the well-studied Frenkel-Kontorova model, where we demonstrate the
unprejudiced identification of the minimal basis microscopic states necessary for describing sliding,
stick-slip and dissipation. The steps necessary for the application to realistic frictional systems are
highlighted.