Atomic-scale simulations on the sliding of incommensurate surfaces: The breakdown of superlubricity

Molecular dynamics simulations of frictional sliding in an atomic force microscope (AFM) show a clear dependence of superlubricity between incommensurate surfaces on tip compliance and applied normal force. While the kinetic friction vanishes for rigid tips and low normal force, superlubric behavior breaks down for softer tips and high normal force. The simulations provide evidence that the Frenkel-Kontorova-Tomlinson (FKT) scaling applies equally to a more realistic three-dimensional (3D) incommensurate AFM model except in the limit of very low stiffness and high normal load. Unlike the FKT model in which the breakdown of superlubricity coincides with the emergence of the metastable states, in the 3D model some metastable states appear to reduce frictional force leading to nonmonotonic dependence of force on normal load and tip compliance. Metastable states vary with the slider positions and the relative stabilities of these metastable states result in varying transition mechanisms depending on sliding velocity.