Buckling behaviors of imperfect single-walled carbon nanotubes: A molecular dynamic simulation
Carbon nanotube has attracted tremendous scientific and industrial interests due to its exceptional mechanical, electrical and thermal properties. In this paper, classic molecular dynamic simulations are carried out to investigate the buckling behaviors and mechanical properties of single-walled carbon nanotubes under axial compression, both for perfect and imperfect ones introducing atomic vacancies. The effect of chirality, diameter, quantity and position of vacancy are systematically studied. The simulation results reveal that their mechanical properties such as Youngs modulus, critical strain and stress suffering a significant decline as the increasing numbers of vacancies. It is also found that the critical stress and strain are sensitive to position of atomic vacancy. Carbon nanotubes with vacancies located at the center have lower critical strain and are easier to reach the failure stage than those with vacancies at both sides.
carbon nanotube molecular dynamic simulation mechanical properties atomic vacancy axial compression
Yong Li Zaoyang Guo Bei Peng
School of Mechatronics Engineering University of Electronic Science and Technology of China Chengdu, School of Civil Engineering and Geosciences Newcastle University Newcastle upon Tyne, United Kingdom
国际会议
2010 International Conference on Nano Science and Technology(2010年IEEE纳米科技国际会议 ICNST2010)
成都
英文
292-296
2010-12-17（万方平台首次上网日期，不代表论文的发表时间）