LU Ying, QIAN Jin. Grain-Size-Dependent Elastic Moduli and Strengths of Polycrystalline Graphene: Atomistic Simulations[J]. Applied Mathematics and Mechanics, 2016, 37(9): 901-914. doi: 10.21656/1000-0887.370121
Citation: LU Ying, QIAN Jin. Grain-Size-Dependent Elastic Moduli and Strengths of Polycrystalline Graphene: Atomistic Simulations[J]. Applied Mathematics and Mechanics, 2016, 37(9): 901-914. doi: 10.21656/1000-0887.370121

Grain-Size-Dependent Elastic Moduli and Strengths of Polycrystalline Graphene: Atomistic Simulations

doi: 10.21656/1000-0887.370121
Funds:  The National Natural Science Foundation of China(11321202)
  • Received Date: 2016-04-18
  • Rev Recd Date: 2016-05-23
  • Publish Date: 2016-09-15
  • For polycrystalline graphene, the existence of grain boundaries might strongly influence the mechanical properties. There had been increasing experimental and numerical studies on the stiffness and strength of polycrystalline graphene, where 2 methods of nanoindentation and uniaxial tension had been widely employed for tests. However, significant discrepancies in the elastic moduli and breaking strengths from the 2 methods had been reported. Herein atomistic simulations of both the nanoindentation and the uniaxial tension were performed to explore the effects of grain sizes on the mechanical properties of polycrystalline graphene. In the simulations, the failure of polycrystalline graphene always occurred at grain boundary junctions, showing that the poly-graphene samples were weakened by the combination of grain boundary junctions, holes and topological defects. The results indicate that, the Young’s moduli and breaking strengths, from both the nanoindentation test and the uniaxial tension test, are strongly influenced by the grain sizes of poly-graphene.
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