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Polymers 2014, 6(9), 2404-2432;

Atomistic Studies of Mechanical Properties of Graphene

Key Laboratory of High Energy Density Physics Simulation (HEDPS), Center for Applied Physics and Technology, Department of Mechanics and Engineering Science, College of Engineering, Peking University, Beijing 100871, China
Received: 30 June 2014 / Revised: 4 September 2014 / Accepted: 5 September 2014 / Published: 22 September 2014
(This article belongs to the Special Issue Computational Chemistry)
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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 ν, the intrinsic strength σint and the corresponding strain εint as well as the ultimate strain εmax (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. View Full-Text
Keywords: graphene; atomistic simulation; mechanical property graphene; atomistic simulation; mechanical property

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This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

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Cao, G. Atomistic Studies of Mechanical Properties of Graphene. Polymers 2014, 6, 2404-2432.

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