Prediction of the mechanical behavior of double walled-CNTs using a molecular mechanics-based finite element method: Effects of chirality

Carbon nanotubes (CNTs) have distinct features in their remarkable mechanical, electrical, thermal, and chemical properties. However, material properties of CNTs can often not be validated due to experimental limitations. In this study, we developed finite element models of single-walled carbon nanotubes (SWCNTs) and double-walled carbon nanotubes (DWCNTs) based on molecular mechanics theory to evaluate mechanical properties such as Young's modulus, ultimate strength, and strain in accordance with chirality. We performed tensile analyses with armchair/zigzag SWCNTs and armchair-zigzag/zigzag-armchair DWCNTs composed of nonlinear beam elements. We validated the proposed FE model of SWCNTs by comparing ultimate stress and strain with conventional approaches.