关键词: 碳纳米管, 分子动力学, 屈曲, 裂纹

Abstract:

In this paper,based on the molecular dynamics method,the axial compressive properties of armchaircarbon nanotubes with cracks are investigated through the AIREBO potential function,and the effects of the crackand tube lengths on the axial compressive properties of carbon nanotubes are analyzed.Then,the stress-strain curveand the potential curve are described,and the typical deformed structures in the axial compression process are ob-tained.The results show that (1) for the carbon nanotubes of different crack dip angles,the critical bucklingstrength decreases with the increase of the crack length; (2) for the carbon nanotubes with a crack dip angle of90°,there are hollows and dislocation in the crack region under the axial compressive load; (3) for the carbonnanotubes with a crack dip angle of 30°,there are hollows around the crack and twists in the crack edges; (4) forthe carbon nanotubes of two different crack dip angles,there is no resilience around the crack in the whole axialcompressive process; and (5) the axial bearing capacity of the carbon nanotube with different cracks decreases withthe increase of the tube length.

Key words: carbon nanotubes, molecular dynamics, buckling, crack