Abstract
In this paper, we extend the discrete-to-continuum procedure we developed in Español et al. (2018) to derive a continuum variational model for a hexagonal twisted bilayer material in which one layer is fixed. We use a discrete energy containing elastic terms and a weak interaction term that could utilize either a Lennard-Jones potential or a Kolmogorov–Crespi potential. To validate our modeling, we perform numerical simulations to compare the predictions of the original discrete model and the proposed continuum model, which also show an agreement with experimental findings for, e.g., twisted bilayer graphene.
Original language | English (US) |
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Article number | 105229 |
Journal | Journal of the Mechanics and Physics of Solids |
Volume | 173 |
DOIs | |
State | Published - Apr 2023 |
Keywords
- Bilayer graphene
- Discrete-to-continuum modeling
- Domain wall
- Heterostructure
- Moiré pattern
ASJC Scopus subject areas
- Condensed Matter Physics
- Mechanics of Materials
- Mechanical Engineering