Rippling and a phase-transforming mesoscopic model for multiwalled carbon nanotubes

Abstract

We propose to model thick multiwalled carbon nanotubes as beams with non-convex curvature energy. Such models develop stressed phase mixtures composed of smoothly bent sections and rippled sections. This model is motivated by experimental observations and large-scale atomistic-based simulations. The model is analyzed, validated against large-scale simulations, and exercised in examples of interest. It is shown that modelling MWCNTs as linear elastic beams can result in poor approximations that overestimate the elastic restoring force considerably, particularly for thick tubes. In contrast, the proposed model produces very accurate predictions both of the restoring force and of the phase pattern. The size effect in the bending response of MWCNTs is also discussed.