Molecular dynamics methods were used to simulate numerically the axial compression of perfect and defective armchair single-wall carbon nanotubes containing single- and bi-atom vacancies, and the temperature-dependent bearing capacities of two nanotubes having different lengths were compared. The simulated results indicated that the temperature dependence of the buckling properties of perfect single-walled carbon nanotubes improved with increasing temperature; especially for longer tubes. Vacancy defects on the tube wall significantly decreased the die-bearing capability of the nanotubes, and the buckling properties of defective nanotubes were insensitive to temperature.

Influences of Defects on Buckling Properties of Single-Wall Carbon Nanotubes under Axial Compression. H.Xin, Q.Han, X.H.Yao: Journal of South China University of Technology, 2008, 36[6], 52-55