Abstract
Based on both molecular mechanics and computational structural mechanics, a three-dimensional (3D) equivalent beam element is developed to model a C-C covalent bond on carbon nanotubes (CNTs) whereas the van der Waals forces between atoms in the different walls of multi-walled CNTs are described using a rod element. The buckling characteristics of CNTs are conveniently analyzed by using the traditional finite element method (FEM) of a 3D beam and rod model, termed as molecular structural mechanics approach (MSMA). Moreover, to model the CNTs with large length or large diameter, the validity of Euler’s beam buckling theory and a shell model with proper properties defined from the results of MSMA is investigated. The predicted results by this simple continuum mechanics approach agree well with the reported experimental data.
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