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Open AccessArticle

Numerical Investigation of the Fracture Mechanism of Defective Graphene Sheets

by Na Fan 1, Zhenzhou Ren 1, Guangyin Jing 2, Jian Guo 1,3, Bei Peng 1,4,* and Hai Jiang 1,*
1
School of Mechatronics Engineering, University of Electronic Science and Technology of China, Chengdu 611731, China
2
National Key Laboratory and Incubation Base of Photoelectric Technology and Functional Materials, School of Physics, Northwest University, Xi’an 710069, China
3
School of Materials Science and Engineering, Xiangtan University, Xiangtan 411105, China
4
Center for Robotics, University of Electronic Science and Technology of China, Chengdu 611731, China
*
Authors to whom correspondence should be addressed.
Academic Editor: Martin O. Steinhauser
Materials 2017, 10(2), 164; https://doi.org/10.3390/ma10020164
Received: 23 December 2016 / Revised: 26 January 2017 / Accepted: 8 February 2017 / Published: 11 February 2017
(This article belongs to the Special Issue Computational Multiscale Modeling and Simulation in Materials Science)
Despite the unique occurrences of structural defects in graphene synthesis, the fracture mechanism of a defective graphene sheet has not been fully understood due to the complexities of the defects. In this study, the fracture mechanism of the monolayer graphene with four common types of defects (single vacancy defect, divacancy defect, Stone–Wales defect and line vacancy defect) were investigated systematically for mechanical loading along armchair and zigzag directions, by using the finite element method. The results demonstrated that all four types of defects could cause significant fracture strength loss in graphene sheet compared with the pristine one. In addition, the results revealed that the stress concentration occurred at the carbon–carbon bonds along the same direction as the displacement loading due to the deficiency or twist of carbon–carbon bonds, resulting in the breaking of the initial crack point in the graphene sheet. The fracture of the graphene sheet was developed following the direction of the breaking of carbon–carbon bonds, which was opposite to that of the displacement loading. View Full-Text
Keywords: graphene; defect; dynamic fracture; finite element method; stress concentration graphene; defect; dynamic fracture; finite element method; stress concentration
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MDPI and ACS Style

Fan, N.; Ren, Z.; Jing, G.; Guo, J.; Peng, B.; Jiang, H. Numerical Investigation of the Fracture Mechanism of Defective Graphene Sheets. Materials 2017, 10, 164.

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