Investigation on fracture of pre-cracked single-layer graphene sheets

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

16 Scopus Citations
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Author(s)

  • Zhiwu Bie
  • Jinbao Wang
  • Ligang Sun
  • Meiling Tian
  • Erkan Oterkus

Detail(s)

Original languageEnglish
Pages (from-to)365-375
Journal / PublicationComputational Materials Science
Volume159
Online published24 Dec 2018
Publication statusPublished - Mar 2019

Abstract

Peridynamics (PD) is employed to model the fracture of pre-cracked graphene sheets under mode-I loading condition to show its application at nanoscale. Then the related mechanisms at atomic scale are revealed by using molecular dynamics (MD) simulation, with which the mechanical properties and fracture mechanisms of full atomistic pre-cracked single-layer graphene sheets (SLGSs) with different types of crack tip micro-structures are investigated. The results such as the fracture forms obtained from the PD and MD simulations show good consistency. The MD results show that different crack tip structures have distinct effect on the mechanical properties of graphene sheets. The pre-cracked SLGSs with ω-type crack tip show higher fracture strength and strain than the ones with u-type crack tip. For the pre-cracked SLGSs with u-type crack tip, the fracture strength and strain of the armchair sheet are higher than the zigzag one. However, there are almost no differences for the armchair and zigzag sheets with ω-type crack tip. Due to the difference between armchair and zigzag structures, carbon polygon ring can form in armchair sheets and its formation is related to the crack tip structures and the crack width. In addition, the crack propagation can be characterized by the local stress state, which for crack initiation is different from steady crack propagation.

Research Area(s)

  • Crack tip, Fracture mechanism, Molecular dynamics, Peridynamics, Single-layer graphene sheet

Citation Format(s)

Investigation on fracture of pre-cracked single-layer graphene sheets. / Liu, Xuefeng; Bie, Zhiwu; Wang, Jinbao et al.
In: Computational Materials Science, Vol. 159, 03.2019, p. 365-375.

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review