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Based on both molecular mechanics and computational structural mechanics, a threedimensional (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.

BUCKLING ANALYSIS OF CARBON NANOTUBES USING A BEAM ELEMENT BASED ON MOLECULAR MECHANICS