Markov State Modeling of Sliding Friction

Abstract

Markov State Modeling has recently emerged as a key technique for analyzing rare events in thermal 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.