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Published on: August 13, 2020
Discrete-to-continuum modeling of weakly interacting incommensurate chains
Malena I Español1, Dmitry Golovaty1, J Patrick Wilber1
1Department of Mathematics, The University of Akron, Akron, Ohio 44325, USA.
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.
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