Practical Molecular Dynamic Simulation of Monolayer Graphene with Consideration of Structural Defects

被引：6
作者：
Ranjbartoreh, Ali Reza [1 ,2 ]
Wang, Guoxiu [1 ]
机构：
[1] Univ Technol Sydney, Dept Chem & Forens Sci, Sydney, NSW 2007, Australia
[2] Univ Technol Sydney, Dept Mech Engn, Sydney, NSW 2007, Australia
来源：
JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY | 2012年 / 12卷 / 02期
关键词：
Graphene; Defect; Tension; Compression; WALLED CARBON NANOTUBES; MECHANICAL-PROPERTIES; LOADING CONDITIONS; OXIDE; FILMS; TRANSPARENT; ARMCHAIR; SHEETS; ZIGZAG; PAPER;
D O I：
10.1166/jnn.2012.4639
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Molecular dynamic simulation method has been employed to consider the mechanical properties of pristine and defeated armchair and zigzag monolayer graphene sheets under tension and compression. Effects of Stone Wales (SW), Cell deformed (CD) and cell vacancy (CV) defects on ultimate stress and strain of graphene sheets have been considered. Obtained results indicate that zigzag graphene sheet has higher elastic modulus and stiffness than armchair type. Three SW defects have the highest destructive effect on ultimate stress and strain of zigzag graphene sheet while CV defect reveals the highest reducing effect on those of armchair type.
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收藏
页码：1398 / 1401
页数：4
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