Multiscale Modeling and Mechanical Properties of Zigzag CNT and Triple-Layer Graphene Sheet Based on Atomic Finite Element Method

Abstract

An Atomic Finite Element Analysis is developed in this paper. At atomic scale, the interatomic bonding forces of Van der Waals and the covalent chemical bond are taken into account. The methodology is applied to study the behavior of carbon nanotubes, whose development has experienced strong growth in recent years and that can be used for quality mechanical reinforcement. These carbon nanotubes are formed by repeating zigzag carbon-carbon bonds. Development of atomic finite element method (AFEM) methodology can be traced back to the homogenized elastic properties of various graphene structures (single-layer graphene sheet, Zig-zag single-walled carbon nanotubes, triple-layer graphene sheet).