Discrete-to-continuum modeling of weakly interacting incommensurate chains.

Español, Malena I; Golovaty, Dmitry; Wilber, J Patrick · Phys Rev E · 2017

basic_science · Level V

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Abstract

In this paper we use a formal discrete-to-continuum procedure to derive a continuum variational model for two chains of atoms with slightly incommensurate lattices. The chains represent a cross section 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 numerical solutions for both models demonstrate the presence of large commensurate regions separated by localized incommensurate domain walls.