Molecular dynamics and statics simulations were used to explore the mechanical behavior of defect-free nanotubes and compare it with that of nanotubes with topological defects and functionalization. It was observed that the elastic and inelastic properties of nanotubes were significantly affected by the presence of chemical attachments and topological defects.

Tensile and Compressive Behavior of Carbon Nanotubes: Effect of Functionalization and Topological Defects. N.Chandra, S.Namilae: Mechanics of Advanced Materials and Structures, 2006, 13[2], 115-27