Continuum Mechanics Simulation of Post-buckling of Single-Walled Nanotubes

Large deformation behavior and post-buckling modes of single-walled carbon nanotubes are studied numerically by using traditional continuum shell theory and eigenvalue buckling methodology with elasticity parameters obtained by atomistic methods incorporated. Comparison with molecular mechanics and an atomistic-based continuum membrane method shows that the continuum shell theory is convenient and efficient in predicting the post-buckling behavior of the nanotubes subjected to axial compression, torsion and bend loads, providing that the elasticity parameters of the tube are obtained from atomistic theory. Higher-order buckling modes, which are difficult to be obtained by molecular mechanics, have analyzed as well.