Atomic Finite Element Simulation for Fracture Property of Branched Carbon Nanotubes

Branched carbon nanotubes and the related studies on their mechanical properties have important significance in modern silicon microelectronics industry. The fracture properties of the "Y" shaped branched single-walled carbon nanotubes(YBSCNTs) were investigated in atomic-scale by using atomic finite element method(AFEM). Moreover, the influences of the diameter and the length of the YBSCNTs on the equivalent elastic modulus, the fracture strain and the tensile strength were also discussed. The results of numerical simulations show that with the increasing tube diameter, the equivalent elastic modulus, the fracture strain and the tensile strength of the YBSCNTs will decrease, with the increasing length, the equivalent elastic modulus will decreases, while the fracture strain and the tensile strength will increase. The suggested method provides a convenient tool for estimating the effective mechanical properties, therefore, which is helpful for the optimal design of YBSCNTs.