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Nano Lett. 2013 Apr 10;13(4):1829-33. doi: 10.1021/nl400542n. Epub 2013 Mar 25.

Pseudo Hall-Petch strength reduction in polycrystalline graphene.

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Department of Engineering Mechanics and Center for Nano and Micro Mechanics, Tsinghua University, Beijing 100084, China.


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.

[Indexed for MEDLINE]

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