A survey of interlayer interaction models for graphene and other 2D materials

Abstract

This work presents a survey of mechanical models describing van der Waals interactions between 2D materials, encompassing both continuous elastomer-like materials and discrete (crystalline) 2D materials such as graphene. These interactions give rise to a range of physical phenomena, including contact instabilities, Moiré patterns, surface reconstructions, and superlubricity. The underlying contact forces follow from the variation of an interfacial interaction potential. The presentation first discusses normal contact models, and then tangential contact models. Both atomistic and continuum approaches are considered. In addition, the influence of external loading and changes in length scale on the ground state configuration and frictional contact behavior are analyzed. A particular emphasis is placed on discussing strategies that reduce computational cost in multiscale modeling.