• 文献标题:   The chirality-dependent fracture properties of single-layer graphene sheets: Molecular dynamics simulations and finite element method
  • 文献类型:   Article
  • 作  者:   JIANG ZHY, LIN R, YU PS, LIU Y, WEI N, ZHAO JH
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF APPLIED PHYSICS
  • ISSN:   0021-8979 EI 1089-7550
  • 通讯作者地址:   Jiangnan Univ
  • 被引频次:   3
  • DOI:   10.1063/1.4993176
  • 出版年:   2017

▎ 摘  要

The chirality-dependent mixed-mode I-II fracture toughness and crack growth angles of single-layer graphene sheets are determined using molecular dynamics (MD) simulations and the finite element (FE) method based on the boundary layer model, respectively. The carbon-carbon bond in the FE method is equivalent to a nonlinear Timoshenko beam based on the Tersoff-Brenner potential. All the results of the present FE method agree well with those of our MD simulations performed using the REBO potential. The chiral crack angles of alpha = 0 degrees (zigzag), 15 degrees, 30 degrees (or 90 degrees, armchair), and 45 degrees at different loading angles from 0 degrees ]