Modeling of the mechanical instability of carbon nanotubes

A hybrid continuum mechanics and molecular mechanics model is developed to predict the compressive buckling strain and load for the inelastic buckling of armchair and zigzag carbon nanotubes. The effectiveness of the hybrid model is demonstrated by comparisons of buckling results from the model, molecular dynamics simulations, and continuum models by other workers. The existence of an optimum diameter at which the buckling load reaches a maximum is demonstrated by the hybrid model.