Abstract
Graphene and other recently developed two-dimensional materials exhibit exceptionally strong in-plane stiffness. Relaxation of few-layer structures, either freestanding or on slightly mismatched substrates, occurs mostly through out-of-plane bending and the creation of large-scale ripples. In this work, we present a novel double chain model, where we allow relaxation to occur by bending of the incommensurate coupled system of chains. As we will see, this model can be seen as a new application of the well-known Frenkel-Kontorova model for a one-dimensional atomic chain lying in a periodic potential. We focus in particular on modeling and analyzing ripples occurring in ground state configurations, as well as their numerical simulation.
Original language | English (US) |
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Pages (from-to) | 56-73 |
Number of pages | 18 |
Journal | Multiscale Modeling and Simulation |
Volume | 15 |
Issue number | 1 |
DOIs | |
State | Published - 2017 |
Bibliographical note
Publisher Copyright:© 2017 Society for Industrial and Applied Mathematics.
Keywords
- Atomistic relaxation
- Frenkel-Kontorova
- Heterostructures
- Incommensurability
- Ripples
- Two-dimensional materials