• 文献标题:   Influence of vacancy defects on the damage mechanics of graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   ZHANG J, RAGAB T, BASARAN C
  • 作者关键词:   graphene nanoribbon, damage mechanic, molecular dynamics simulation, nanomaterial, uniaxial tension
  • 出版物名称:   INTERNATIONAL JOURNAL OF DAMAGE MECHANICS
  • ISSN:   1056-7895 EI 1530-7921
  • 通讯作者地址:   SUNY Buffalo
  • 被引频次:   11
  • DOI:   10.1177/1056789516645645
  • 出版年:   2017

▎ 摘  要

Using molecular dynamics simulations, graphene nanoribbons with armchair chirality were subjected to displacement-controlled uniaxial tension until complete fracture at 300K in order to understand their damage mechanics. Graphene nanoribbons with and without a vacancy defect were simulated to compare the effect of the defect on the fracture behavior. Simulations were performed for graphene nanoribbons with lengths ranging from 2.5 to 15nm. The stress-strain curve of each case is reported, and the influence of defect on the material properties is discussed. For each sample, damage mechanics types were observed and discussed. Results show a negligible effect of the single vacancy defect on the ultimate strength of the graphene nanoribbon. However, having a single vacancy defect does influence the failure strain, as well as the damage mechanics past the ultimate stress point.