Tensile mechanical properties study of SiC/graphene composites based on molecular dynamics

JM Zhan and XH Yao and WH Li and XQ Zhang, COMPUTATIONAL MATERIALS SCIENCE, 131, 266-274 (2017).

DOI: 10.1016/j.commatsci.2017.02.006

The mechanical properties of the SiC/graphene composites under tensile are studied via molecular dynamics (MD) methods. In our study, the SiC/graphene composites with monolayer graphene and multilayer graphene are built and compared. As a result, the composites with different interface structures present different tensile behaviors. The single graphene sheet in contact with Si-terminated SiC(111) surface brings the higher failure strain and strength. It is also found that the elastic modulus of the composites increase with the increasing graphene volume fraction. As for the composites fabricated with the multilayers graphene, the failure strain of the whole systems would decrease with the increasing graphene layers in the case that graphene serves as single layer. By contrast, when the graphene sheets serve as continuous layers, the failure strain does not change significantly and the strength would increase monotonically with the increasing number of graphene layers. (C) 2017 Elsevier B.V. All rights reserved.

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