Molecular dynamics simulation of the self-retracting motion of a graphene flake

Abstract

The self-retracting motion of a graphene flake on a stack of graphene flakes is studied using molecular dynamics simulations. It is shown that in the case when the extended flake is initially rotated to an incommensurate state, there is no barrier to the self-retracting motion of the flake and the flake retracts as fast as possible. If the extended flake is initially commensurate with the other flakes, the self-retracting motion is hindered by potential energy barriers. However, in this case, rotation of the flake to incommensurate states is often observed. Such a rotation is found to be induced by the torque acting on the flake on hills of the potential relief of interaction energy between the flakes. Contrary to carbon nanotubes, telescopic oscillations of the graphene flake are suppressed because of high dynamic friction related to the excitation of flexural vibrations of the flake. This makes graphene promising for the use in fast-responding electromechanical memory cells.