Evaluation of Nonuniform Strain in Carbon Nanotube with Bend Junction

Abstract

Carbon nanotubes (CNTs) have been attracting attention because of their prominent mechanical and electronic properties. In this study, we investigate the deformation of single-walled carbon nanotubes (SWCNTs) with a bend junction using molecular dynamics in order to analyze strain concentration due to the tube shape (macroscopic effect) and the membered ring shape (microscopic effect). At first, we propose a method for evaluating the local strain at each memberded ring. Then, we analyze the strain concentration at the bend junction due to the both of macroscopic and microscopic effects. The strain concentration caused by the microscopic effect is separated by a rough analysis ; and it is about 1.5 times higher than that caused by the macroscopic effect.