Markov State Modeling of Sliding Friction

TL;DR

This paper extends Markov State Modeling to analyze non-equilibrium sliding friction, successfully identifying key microscopic states in a benchmark model and outlining steps for real-world applications.

Contribution

It introduces a novel application of Markov State Modeling to non-equilibrium frictional systems, demonstrating its effectiveness in identifying metastable states.

Findings

Successfully applied to Frenkel-Kontorova model

Identified minimal basis states for sliding and dissipation

Outlined steps for applying to real systems

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.