Interaction Between Edge Dislocation and Single-Layered Graphene in Aluminum Matrix Investigated by Molecular Dynamics Simulation
Abstract The influence of graphene on dislocation movement and subsequent mechanical response of aluminum is investigated by the computational method of molecular dynamics simulation. A Lennard–Jones potential describing Al-C interaction was obtained through ab initio calculation. It was observed that the 2D graphene could reinforce Al matrix similar to the traditional Orowan mechanism. The Al/graphene interface first attract the gliding dislocation to reduce the system energy, which is unlike the grain boundary to repel gliding dislocations through pile-up mechanism. With the increase of stress, dislocation attracted and trapped at the front of graphene could glide along the interface and finally bypass it through climbing when graphene is orientated out of the shear plane. In addition, the strengthening ability of graphene is size dependent, showing a linear relationship between strength increment and graphene size.
