Journal of South China University of Technology (Natural Science Edition)

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A Probe into Mechanical Properties of Graphene/ SiC Composites Based on Molecular Dynamics

ZHAN Jia-ming YAO Xiao-hu LI Wang-hui   

  1. School of Civil Engineering and Transportation,South China University of Technology,Guangzhou 510640,Guangdong,China
  • Received:2017-01-16 Online:2017-05-25 Published:2017-04-01
  • Contact: 姚小虎( 1974-) ,男,博士,教授,主要从事计算力学方法和分子模拟研究. E-mail:yaoxh@scut. edu. cn
  • About author:湛家铭( 1993-) ,男,博士生,主要从事计算力学方法和分子模拟研究. E-mail:zhan.jm@mail.scut.edu.cn
  • Supported by:
    Supported by the National Natural Science Foundation of China( 11672110, 11372113)

Abstract: In order to discover the underlying mechanisms of tensile fracture of composites,the tensile mechanical properties of graphene /SiC composites are simulated on the basis of molecular dynamics ( MD) .The results show that ( 1) the interface between graphene and SiC may affect the mechanical properties of the whole composite systems; ( 2) in comparison with the damage of bulk SiC systems,the damage of the composites tends to nucleate and grow on the interface in the tension process; ( 3) graphene /SiC composites with different interface structures possess different mechanical behaviors due to the various interaction between graphene and SiC; and ( 4) in comparison with the contact of grapheme sheet with C surface,the direct contact of single graphene sheet with Si in the substrate results in higher strength and failure strain.

Key words: molecular dynamics, graphene, uniaxial tension, composite, mechanical property, interface effect