Nanoindentation Models of Monolayer Graphene and Graphyne under Point Load Pattern Studied by Molecular Dynamics
XIANG Lang1,2, WU Jian3, MA Shuang-Ying1,2, WANG Fang1,2, ZHANG Kai-Wang1,2**
1School of Physics and Optoelectronics, Xiangtan University, Xiangtan 411105 2Hunan Key Laboratory for Micro-Nano Energy Materials and Devices, Xiangtan University, Xiangtan 411105 3Beijing Computational Science Research Center, Beijing 100084
Abstract：Molecular dynamics simulations are performed to study the nanoindentation models of monolayer suspended graphene and graphyne. Fullerenes are selected as indenters. Our results show that Young's modulus of monolayer-thick graphyne is almost half of that of graphene, which is estimated to be 0.50 TPa. The mechanical properties of graphene and graphyne are different in the presence of strain. A pre-tension has an important effect on the mechanical properties of a membrane. Both the pre-tension and Young's modulus plots demonstrate index behavior. The toughness of graphyne is stronger than that of graphene due to Young's modulus magnitude. Young's moduli of graphene and graphyne are almost independent of the size ratio of indenter to membrane.
2015, Vol. 32 
