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集中荷载下碳纳米管的弯曲及其分子动力学模拟
引用本文:梁颖晶,韩强.集中荷载下碳纳米管的弯曲及其分子动力学模拟[J].华南理工大学学报(自然科学版),2012,40(7):113-116.
作者姓名:梁颖晶  韩强
作者单位:华南理工大学土木与交通学院,广东广州,510640
基金项目:广东省自然科学基金资助项目
摘    要:利用圆柱壳半无矩理论研究了悬臂碳纳米管在集中荷载作用下的弯曲问题,得到了该问题的内力解和位移解,并通过分子动力学模拟验证了理论解的适用性.研究结果表明,当锯齿型碳纳米管长径比为5.2~12.0、扶手椅型碳纳米管长径比为5.5~18.0时,理论解与分子动力学模拟结果较为吻合.

关 键 词:碳纳米管  弯曲  半无矩理论  分子动力学

Bending of Carbon Nanotubes Subjected to Concentrated Load and Corresponding Molecular Dynamics Simulation
Liang Ying-jing , Han Qiang.Bending of Carbon Nanotubes Subjected to Concentrated Load and Corresponding Molecular Dynamics Simulation[J].Journal of South China University of Technology(Natural Science Edition),2012,40(7):113-116.
Authors:Liang Ying-jing  Han Qiang
Institution:Liang Ying-jing Han Qiang(School of Civil Engineering and Transportation,South China University of Technology,Guangzhou 510640,Guangdong,China)
Abstract:In this paper,the bending problem of cantilever carbon nanotubes(CNTs) subjected to concentrated load is investigated by elastic shell model based on semi-moment theory,and the corresponding analytical expressions of the stress and the displacement are derived,which are then verified by the molecular dynamics simulation.It is found that,for both the zigzag CNTs with a length-to-diameter ratio of 5.2~12.0 and the armchair CNTs with a length-to-diameter ratio of 5.5~18.0,the theoretical results coincide well with the simulated ones.
Keywords:carbon nanotube  bending  semi-moment theory  molecular dynamics
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