Molecular dynamics simulation of tensile properties of graphene sheets with central crack

被引：0
作者：
机构：
[1] School of Civil Engineering and Transportation, South China University of Technology, Guangzhou 510640, Guangdong
来源：
Han, Q. (emqhan@scut.edu.cn) | 1600年 / South China University of Technology卷 / 42期
关键词：
Central crack; Crack length; Graphene sheet; Molecular dynamics; Strain rate; Temperature;
D O I：
10.3969/j.issn.1000-565X.2014.04.009
中图分类号：
学科分类号：
摘要：
The destruction process of armchair single-layered graphene sheets with central crack was investigated via the molecular dynamics simulation based on Tersoff potential function, and the corresponding stress-strain curves as well as the failure mode were obtained. Then, the effects of crack length, strain rate and temperature on the tensile mechanical properties of armchair graphene sheets with central crack were explored. It is found that (1) the fracture strength, the fracture strain and the crack initiation stress all decrease with the increase of crack length and temperature; (2) with the increase of strain rate, the fracture strength and strain, the crack initiation stress and the average cracking speed increase accordingly; (3) the fracture begins around the central crack and exhibits different deformation mechanisms with the variation of crack length, strain rate and temperature; and (4) C-C bonds break in both the center and the edge of graphene sheets at higher strain rates.
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页码：52 / 58
页数：6
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