中国物理B ›› 2016, Vol. 25 ›› Issue (6): 66104-066104.doi: 10.1088/1674-1056/25/6/066104

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇    下一篇

Finite temperature effect on mechanical properties of graphene sheets with various grain boundaries

Yong Ge(葛勇), Hong-Xiang Sun(孙宏祥), Yi-Jun Guan(管义钧), Gan-He Zeng(曾赣鹤)   

  1. Faculty of Science, Jiangsu University, Zhenjiang 212013, China
  • 收稿日期:2015-12-10 修回日期:2016-02-25 出版日期:2016-06-05 发布日期:2016-06-05
  • 通讯作者: Yong Ge E-mail:geyong@mail.ujs.edu.cn
  • 基金资助:

    Project supported by the Nation Natural Science Foundation of China (Grant Nos. 11347219 and 11404147), the Natural Science Foundation of Jiangsu Province, China (Grant No. BK20140519), the Training Project of Young Backbone Teacher of Jiangsu University, the Advanced Talents of Jiangsu University, China (Grant No. 11JDG118), the Practice Innovation Training Program Projects for Industrial Center of Jiangsu University, China, and the State Key Laboratory of Acoustics, Chinese Academy of Sciences (Grant No. SKLOA201308).

Finite temperature effect on mechanical properties of graphene sheets with various grain boundaries

Yong Ge(葛勇), Hong-Xiang Sun(孙宏祥), Yi-Jun Guan(管义钧), Gan-He Zeng(曾赣鹤)   

  1. Faculty of Science, Jiangsu University, Zhenjiang 212013, China
  • Received:2015-12-10 Revised:2016-02-25 Online:2016-06-05 Published:2016-06-05
  • Contact: Yong Ge E-mail:geyong@mail.ujs.edu.cn
  • Supported by:

    Project supported by the Nation Natural Science Foundation of China (Grant Nos. 11347219 and 11404147), the Natural Science Foundation of Jiangsu Province, China (Grant No. BK20140519), the Training Project of Young Backbone Teacher of Jiangsu University, the Advanced Talents of Jiangsu University, China (Grant No. 11JDG118), the Practice Innovation Training Program Projects for Industrial Center of Jiangsu University, China, and the State Key Laboratory of Acoustics, Chinese Academy of Sciences (Grant No. SKLOA201308).

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摘要：

The mechanical properties of graphene sheets with various grain boundaries are studied by molecular dynamics method at finite temperatures. The finite temperature reduces the ultimate strengths of the graphenes with different types of grain boundaries. More interestingly, at high temperatures, the ultimate strengths of the graphene with the zigzag-orientation grain boundaries at low tilt angles exhibit different behaviors from those at lower temperatures, which is determined by inner initial stress in grain boundaries. The results indicate that the finite temperature, especially the high one, has a significant effect on the ultimate strength of graphene with grain boundaries, which gives a more in-depth understanding of their mechanical properties and could be useful for potential graphene applications.

关键词: graphene, grain boundary, temperature, molecular dynamics

Abstract:

The mechanical properties of graphene sheets with various grain boundaries are studied by molecular dynamics method at finite temperatures. The finite temperature reduces the ultimate strengths of the graphenes with different types of grain boundaries. More interestingly, at high temperatures, the ultimate strengths of the graphene with the zigzag-orientation grain boundaries at low tilt angles exhibit different behaviors from those at lower temperatures, which is determined by inner initial stress in grain boundaries. The results indicate that the finite temperature, especially the high one, has a significant effect on the ultimate strength of graphene with grain boundaries, which gives a more in-depth understanding of their mechanical properties and could be useful for potential graphene applications.

Key words: graphene, grain boundary, temperature, molecular dynamics

中图分类号:  (Structure of graphene)

  • 61.48.Gh
61.72.Mm (Grain and twin boundaries) 62.20.mt (Cracks) 31.15.xv (Molecular dynamics and other numerical methods)