Interface Tribology Via Nonequilibrium Molecular Dynamics

Abstract

AbstractBy borrowing ideas from control theory, Nonequilibrium Molecular Dynamics incorporates temperature, stress, and heat flux directly into atomistic, time-reversible, deterministic equations of motion. We are applying this technique to studies of surface indentation, surface cutting, friction, ablation, and condensation. Here we describe simulations of the indentation and cutting processes using two-dimensional crystals composed of a few thousand particles.