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Pseudo Hall-Petch strength reduction in polycrystalline graphene

Nano letters, 2013-04, Vol.13 (4), p.1829 [Peer Reviewed Journal]

EISSN: 1530-6992 ;DOI: 10.1021/nl400542n ;PMID: 23528068

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  • Title:
    Pseudo Hall-Petch strength reduction in polycrystalline graphene
  • Author: Song, Zhigong ; Artyukhov, Vasilii I ; Yakobson, Boris I ; Xu, Zhiping
  • Subjects: Computer Simulation ; Elastic Modulus ; Graphite - chemistry ; Models, Chemical ; Molecular Dynamics Simulation ; Nanoparticles - chemistry ; Nanostructures ; Particle Size ; Surface Properties
  • Is Part Of: Nano letters, 2013-04, Vol.13 (4), p.1829
  • Description: The fracture of polycrystalline graphene is explored by performing molecular dynamics simulations with realistic finite-grain-size models, emphasizing the role of grain boundary ends and junctions. The simulations reveal a ~50% or more strength reduction due to the presence of the network of boundaries between polygonal grains, with cracks preferentially starting at the junctions. With a larger grain size, a surprising systematic decrease of tensile strength and failure strain is observed, while the elastic modulus rises. The observed crack localization and strength behavior are well-explained by a dislocation-pileup model, reminiscent of the Hall-Petch effect but coming from different underlying physics.
  • Publisher: United States
  • Language: English
  • Identifier: EISSN: 1530-6992
    DOI: 10.1021/nl400542n
    PMID: 23528068
  • Source: MEDLINE
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