Molecular dynamics simulation of axial compressive properties of carbon nanotubes with cracks

作者：Han, Qiang^*; Wang, Cai-Hong; Yao, Xiao-Hu

来源：Journal of South China University of Technology(Natural Science Edition), 2014, 42(12): 133-140.

DOI：10.3969/j.issn.1000-565X.2014.12.020

• Armchair carbon nanotubes
• Axial compressive load
• Buckling strength
• Compression process
• Compressive properties
• Molecular dynamics methods
• Molecular dynamics simulations
• Potential function

In this paper, based on the molecular dynamics method, the axial compressive properties of armchair carbon nanotubes with cracks are investigated through the AIREBO potential function, and the effects of the crack and tube lengths on the axial compressive properties of carbon nanotubes are analyzed. Then, the stress-strain curve and the potential curve are described, and the typical deformed structures in the axial compression process are obtained. The results show that (1) for the carbon nanotubes of different crack dip angles, the critical buckling strength decreases with the increase of the crack length;(2) for the carbon nanotubes with a crack dip angle of 90°, there are hollows and dislocation in the crack region under the axial compressive load;(3) for the carbon nanotubes with a crack dip angle of 30°, there are hollows around the crack and twists in the crack edges;(4) for the carbon nanotubes of two different crack dip angles, there is no resilience around the crack in the whole axial compressive process;and (5) the axial bearing capacity of the carbon nanotube with different cracks decreases with the increase of the tube length.

• 出版日期2014-12-1
• 单位华南理工大学