Pseudo Hall-Petch strength reduction in polycrystalline graphene.

Nano Lett

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

Published: April 2013

AI Article Synopsis

  • The study investigates how polycrystalline graphene fractures, using molecular dynamics simulations that focus on the effects of grain boundaries and junctions.
  • Findings indicate that the presence of boundaries significantly weakens the material, causing strength reductions of about 50% or more, with cracks commonly initiating at junctions.
  • Interestingly, larger grain sizes lead to a decrease in tensile strength and failure strain, while the elastic modulus increases; this behavior aligns with a dislocation-pileup model, similar to the Hall-Petch effect but based on different physics.

Article Abstract

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.

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Source
http://dx.doi.org/10.1021/nl400542nDOI Listing

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