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

Tools

Liu, Xuefeng and Bie, Zhiwu and Wang, Jinbao and Sun, Ligang and Tian, Meiling and Oterkus, Erkan and He, Xiaoqiao (2019) Investigation on fracture of pre-cracked single-layer graphene sheets. Computational Materials Science, 159. pp. 365-375. ISSN 0927-0256 (https://doi.org/10.1016/j.commatsci.2018.12.014)

[thumbnail of Liu-etal-CMS-2018-Investigation-on-fracture-of-pre-cracked-single-layer-graphene-sheets]
Preview
 Text. Filename: Liu_etal_CMS_2018_Investigation_on_fracture_of_pre_cracked_single_layer_graphene_sheets.pdf
Accepted Author Manuscript
License: Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 logo
Download (3MB)| Preview

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.

ORCID iDs

Liu, Xuefeng, Bie, Zhiwu, Wang, Jinbao, Sun, Ligang, Tian, Meiling, Oterkus, Erkan ORCID logoORCID: https://orcid.org/0000-0002-4614-7214 and He, Xiaoqiao;
  • Item type:Article
    ID code:66394
    Dates:
    Date
    Event
    1 March 2019
    Published
    24 December 2018
    Published Online
    7 December 2018
    Accepted
    27 October 2018
    Submitted
    Notes:© 2018 Elsevier B.V. All rights reserved. Xuefeng Liu, Zhiwu Bie, Jinbao Wang, Ligang Sun, Meiling Tian, Erkan Oterkus, Xiaoqiao He, Investigation on fracture of pre-cracked single-layer graphene sheets, Computational Materials Science, Volume 159, 2019, Pages 365-375, https://doi.org/10.1016/j.commatsci.2018.12.014
    Subjects:Technology > Hydraulic engineering. Ocean engineering
    Department:Faculty of Engineering > Naval Architecture, Ocean & Marine Engineering
    Depositing user: Pure Administrator
    Date deposited:17 Dec 2018 13:12
    Last modified:11 Nov 2024 12:10
    Related URLs:
    URI:https://strathprints.strath.ac.uk/id/eprint/66394
CORE (COnnecting REpositories)