Abstract:

This paper employs the molecular dynamic methods to numerically simulate the axial compression of both perfect and defective armchair single-wall carbon nanotubes （SWCNTs） with single- and bi-atom vacancies, and compares the temperature-dependant bearing capacities of two nanotubes with different lengths. Simulated results indicate that （ 1 ） the temperature dependence of the buckling properties of perfect SWCNTs improves with the temperature increasing, especially for the longer tube; （2） the vacancy defects on the tube wall decrease the bearing capability of the nanotubes significantly; and （3） the buckling properties of defective nanotubes are not sensitive to temperature.

Key words: carbon nanotube, molecular dynamics, buckling, temperature, defect