• 文献标题:   The effect of Stone-Wales defects on the mechanical behavior of graphene nano-ribbons
  • 文献类型:   Article
  • 作  者:   FU Y, RAGAB T, BASARAN C
  • 作者关键词:   graphene nanoribbon, stonewales defect, damage mechanics of gnr, armchair gnr, zigzag gnr, molecular dynamics simulation
  • 出版物名称:   COMPUTATIONAL MATERIALS SCIENCE
  • ISSN:   0927-0256 EI 1879-0801
  • 通讯作者地址:   SUNY Buffalo
  • 被引频次:   12
  • DOI:   10.1016/j.commatsci.2016.07.022
  • 出版年:   2016

▎ 摘  要

Molecular dynamics simulations were performed on graphene nano-ribbons (GNR) with Stone-Wales defects to study their influence on the mechanical response of GNR under uniaxial tension. Simulations were performed on armchair and zigzag nano-ribbons with Stone-Wales defects with different orientations with widths ranging from 5 nm to 15 nm. Stress-strain response of these GNRs were computed and compared to better understand how Stone-Wales defect influence the mechanical behavior of GNRs. It is shown that a single Stone-Wales defect can change the mechanical performance of GNR. Moreover, the single defect reduces the ultimate strength of the GNR. (C) 2016 Elsevier B.V. All rights reserved.