Atomistic Studies of Mechanical Properties of Graphene

被引:166
作者
Cao, Guoxin [1 ]
机构
[1] Peking Univ, Key Lab High Energy Dens Phys Simulat HEDPS, Ctr Appl Phys & Technol, Dept Mech & Engn Sci,Coll Engn, Beijing 100871, Peoples R China
基金
美国国家科学基金会;
关键词
graphene; atomistic simulation; mechanical property; WALLED CARBON NANOTUBES; DEPENDENT ELASTIC PROPERTIES; TILT GRAIN-BOUNDARIES; YOUNGS MODULUS; BENDING RIGIDITY; AB-INITIO; INTRINSIC STRENGTH; FRACTURE STRENGTH; SINGLE; DEFECTS;
D O I
10.3390/polym6092404
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
Recent progress of simulations/modeling at the atomic level has led to a better understanding of the mechanical behaviors of graphene, which include the linear elastic modulus E, the nonlinear elastic modulus D, the Poisson's ratio , the intrinsic strength sigma(int) and the corresponding strain epsilon(int) as well as the ultimate strain epsilon(max) (the fracture strain beyond which the graphene lattice will be unstable). Due to the two-dimensional geometric characteristic, the in-plane tensile response and the free-standing indentation response of graphene are the focal points in this review. The studies are based on multiscale levels: including quantum mechanical and classical molecular dynamics simulations, and parallel continuum models. The numerical studies offer useful links between scientific research with engineering application, which may help to fulfill graphene potential applications such as nano sensors, nanotransistors, and other nanodevices.
引用
收藏
页码:2404 / 2432
页数:29
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