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Inverse pseudo Hall-Petch relation in polycrystalline graphene.

Z D Sha1, S S Quek2, Q X Pei2

  • 1International Center for Applied Mechanics, State Key Laboratory for Strength and Vibration of Mechanical Structures, Xi'an Jiaotong University, Xi'an 710049, China.

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Polycrystalline graphene exhibits brittle failure, with cracks initiating at grain boundaries. Its strength is inversely related to grain size, following a pseudo Hall-Petch relationship, crucial for device applications.

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Area of Science:

  • Materials Science
  • Nanotechnology
  • Solid Mechanics

Background:

  • Graphene's unique properties make it promising for advanced applications.
  • Understanding the mechanical behavior of polycrystalline graphene is key to its practical use.
  • Grain size significantly influences material properties.

Purpose of the Study:

  • To investigate the failure mechanisms of polycrystalline graphene.
  • To analyze the relationship between grain size and mechanical strength.
  • To provide insights for optimizing graphene-based devices.

Main Methods:

  • Molecular dynamics simulations were employed.
  • Polycrystalline graphene models with varying grain sizes and distributions were simulated.
  • Failure behavior under stress was analyzed.

Main Results:

  • Polycrystalline graphene demonstrates brittle failure.
  • Grain boundary junctions act as primary sites for crack initiation.
  • A pseudo Hall-Petch relationship was observed between breaking strength and average grain size.
  • The weakest-link model effectively explains the observed failure behavior.

Conclusions:

  • The study elucidates the brittle failure mode of polycrystalline graphene.
  • Findings support the weakest-link model for predicting material strength.
  • Results offer guidance for tailoring mechanical properties of graphene for flexible electronics and nano-electromechanical systems.