A Discrete-to-Continuum Model of Weakly Interacting Incommensurate Two-Dimensional Lattices

Abstract

In this paper we propose a continuum variational model for a two-dimensional deformable lattice of atoms interacting with a two-dimensional rigid lattice. The two lattices have slightly different lattice parameters and there is a small relative rotation between them. This is a prototypical example of a three-dimensional system consisting of a graphene sheet suspended over a substrate. The continuum model recovers both qualitatively and quantitatively the behavior observed in the corresponding discrete model. The continuum model predicts that the deformable lattice develops a network of domain walls characterized by large shearing, stretching, and bending deformation that accommodate the misalignment and/or mismatch between the deformable and rigid lattices. Two integer-valued parameters that can be identified with the components of a Burgers vector, describe the mismatch between the lattices and determine the geometry and the detail of deformation associated with the domain walls.