Mechanics of a Graphene Flake Driven by the Stiffness Jump on a Graphene Substrate

Abstract

Intrinsic driving mechanism is of particular significance to nanoscale mass delivery and device design. Stiffness gradient-driven directional motion, i.e., nanodurotaxis, provides an intrinsic driving mechanism, but an in-depth understanding of the driving force is still required. Based on molecular dynamics (MD) simulations, here we investigate the motion behavior of a graphene flake on a graphene substrate with a stiffness jump. The effects of the temperature and the stiffness configuration on the driving force are discussed in detail. We show that the driving force is almost totally contributed by the unbalanced edge force and increases with the temperature and the stiffness difference but decreases with the stiffness level. We demonstrate in particular that the shuttle behavior of the flake between two stiffness jumps on the substrate can be controlled by the working temperature and stiffness configuration of the system, and the shuttle frequency can be well predicted by an analytical model. These findings may have general implications for the design of nanodevices driven by stiffness jumps.