To Propose a Method to Identify Mechanical Properties of Single-Walled Carbon Nanotubes Using Rebo Potential

Abstract

The aim of this thesis is to propose a Single Walled Carbon Nanotube (SWCNT) approach to evaluate its mechanical properties. With the proposed method, the influence of tube diameter and chirality on the Young’s modulus of Single Walled Carbon Nanotubes was investigated. In particular, Zig-Zag carbon nanotubes, with different size, were examined. According to the Approach 1 the value of Young’s Modulus varies from 0.817 to 2.18 TPa, In Approach 2 the values lies in the range from 1.135 to 3.02 TPa and in the Approach 3 the value is in range 1.092 to 2.913 TPa. The results show that good agreement was achieved with existing experimental results. The presented results demonstrate that the proposed method may also provide a valuable numerical tool for the prediction of the strength behavior of single walled carbon nanotubes.