Effect of Stone-Thrower-Wales defect on structural stability of graphene at zero and finite temperatures

被引：37
作者：
Baimova, J. A. [1 ]
Bo, Liu [1 ]
Dmitriev, S. V. [2 ]
Zhou, K. [1 ]
Nazarov, A. A. [2 ]
机构：
[1] Nanyang Technol Univ, Sch Mech & Aerosp Engn, Singapore 639798, Singapore
[2] Russian Acad Sci, Inst Met Superplast Problems, Ufa 450001, Russia
来源：
EPL | 2013年 / 103卷 / 04期
基金：
俄罗斯基础研究基金会;
关键词：
DISCRETE DISLOCATIONS; MECHANICAL-PROPERTIES; TOPOLOGICAL DEFECTS; PHONON STATES; STRENGTH; CARBON; FRACTURE; MONOLAYER; STRAIN; HYDROCARBONS;
D O I：
10.1209/0295-5075/103/46001
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Classical molecular dynamics with the AIREBO potential is used to investigate the effect of two types of the Stone-Thrower-Wales (STW) defects in an infinite graphene sheet on structural stability of graphene. The borders of the structural stability of graphene in the two-dimensional space of the strain components (epsilon(xx), epsilon(yy)) are found for the two types of defects at 0K. It is shown that the STW defects practically do not affect critical strain of graphene when tension is applied along the zigzag direction, while for tension along the armchair direction the defects reduce the graphene strength noticeably. The effect of temperature on the time until fracture for the defected graphene is studied for different values of strains. Copyright (C) EPLA, 2013
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页数：6
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