ANALYSIS OF RIPPLING IN INCOMMENSURATE ONE-DIMENSIONAL COUPLED CHAINS

被引:9
|
作者
Cazeaux, Paul [1 ]
Luskin, Mitchell [1 ]
Tadmor, Ellad B. [2 ]
机构
[1] Univ Minnesota, Sch Math, Minneapolis, MN 55455 USA
[2] Univ Minnesota, Dept Aerosp Engn & Mech, Minneapolis, MN 55455 USA
来源
MULTISCALE MODELING & SIMULATION | 2017年 / 15卷 / 01期
关键词
two-dimensional materials; heterostructures; ripples; incommensurability; atomistic relaxation; Frenkel-Kontorova; SUSPENDED GRAPHENE; TRANSITION;
D O I
10.1137/16M1076198
中图分类号
O1 [数学];
学科分类号
0701 ; 070101 ;
摘要
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.
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页码:56 / 73
页数:18
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