• 文献标题:   Predicting tensile properties of monolayer white graphene involving edge effect
  • 文献类型:   Article
  • 作  者:   GUO HF, ZHAO ZQ, NAN D, CAI YG, YAN JW
  • 作者关键词:   edge effect, atomic finite element method, white graphene, tensile propertie
  • 出版物名称:   JOURNAL OF THE BRAZILIAN SOCIETY OF MECHANICAL SCIENCES ENGINEERING
  • ISSN:   1678-5878 EI 1806-3691
  • 通讯作者地址:   East China Jiaotong Univ
  • 被引频次:   1
  • DOI:   10.1007/s40430-020-02532-x
  • 出版年:   2020

▎ 摘  要

Elastic properties of monolayer h-BN nanosheet, also known as white graphene, involving edge effect are systematically studied by the atomic finite element method. By carrying out a uniaxial tensile test along zigzag and armchair directions, respectively, the corresponding stress-strain curves of various types of h-BN nanosheets can be obtained by the first-order derivative of potential with respect to the strain. Consequently, zigzag and armchair Young's moduli of h-BN nanosheets can be extracted from stress to strain curves in the small strain range which mainly follows a linear relationship. The results demonstrate that zigzag edge can always bear a slightly larger stress than armchair edge. As the size increases, both zigzag and armchair Young's moduli decrease and get close to each other. This phenomenon indicates an isotropy material of h-BN nanosheets which is also verified by an analytical model. From a systemic study of various h-BN nanosheets, it is found that zigzag edge atoms have a distinctly increasing effect on elastic properties while armchair edge atom show a slight decreasing effect.