摘要
采用分子动力学方法,分别对含单、双原子空位缺陷的扶手椅形单层碳纳米管及其完善结构进行轴向压缩的数值模拟,对比两种长度纳米管在不同温度下的承载性能.模拟结果表明:温度越低、碳纳米管越长,完善纳米管屈曲强度的温度依赖性越显著;管壁缺陷显著降低了单层碳纳米管的承载能力,而且含缺陷碳纳米管的屈曲性能对温度变化并不敏感.
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.
出处
《华南理工大学学报（自然科学版）》
EI
CAS
CSCD
北大核心
2008年第6期52-55,61,共5页
Journal of South China University of Technology(Natural Science Edition)
基金
国家自然科学基金资助项目(10672059)
广东省自然科学基金资助项目(06025689)
关键词
碳纳米管
分子动力学
屈曲
温度
缺陷
carbon nanotube
molecular dynamics
buckling
temperature
defect
