Analysis of Mechanical Properties of Single-Wall Carbon Nanotube by Using Finite Element Method

Abstract

Single‐wall carbon nanotubes (SWCNT) is a material which has special characteristics depending on its carbon atomic structures. These structures are modeled with computational method; therefore its mechanical properties can be estimated. The model used finite element method subtituting molecular bonds with equivalent‐continuum model. In this study, molecular bonds are subtituted by truss model which has similar mechanical and geometrical properties. The present model is developed by bending graphene sheet model around its vertical edge to form SWCNT, which, then, it could be characterized to find its mechanical properties. Two kinds of SWCNTs are considered in this study based on their structures. They are armchair and zigzag structures, which have chirality paramaters (n,0) and (n,n), respectively. The geometrical structures of SWCNT are distinguished by considering its chirality. Therefore, in this study, we estimate and compare the mechanical properties from those two structures. The calculation of SWCNT mechanical properties are established by Hooke's Law approach using finite element method. The simulations are performed by giving tensile load upon SWCNT longitudinal direction and Young's modulus of various SWCNTs are then effectively predicted. As a result, the variation of geometrical structures, such as chirality, length, and diameter, leads to various values of Young's modulus.