| 有限元方法的小管径单壁碳纳米管杨氏模量预测 |
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| 引用本文： | 孙振锋,齐乐华,舒扬,李贺军.有限元方法的小管径单壁碳纳米管杨氏模量预测[J].西安交通大学学报,2007,41(9):1066-1069. |
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| 作者姓名： | 孙振锋 齐乐华 舒扬 李贺军 |
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| 作者单位： | 1. 西北工业大学机电学院,710072,西安
2. 西北工业大学材料学院,710072,西安 |
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| 摘 要： | 针对小管径单壁碳纳米管性能参数在实验中测量困难,以及现有计算机模拟方法时间长的问题,采用分子结构力学理论结合有限元方法,对小管径单壁碳纳米管的杨氏模量进行了研究.基于ANSYS软件平台,利用参数化设计语言建立了扶手椅形、锯齿形、螺旋形单壁碳纳米管分子三维有限元模型.在纯轴力作用下,对单壁碳纳米管分子模型进行加载,并考虑管径厚度和手性,得出了单壁碳纳米管的杨氏模量值.模拟结果表明,单壁碳纳米管的杨氏模量值在0.9-1.14 TPa之间,具有随管径和螺旋角增加而增大的趋势,且在小管径范围内具有尺度效应.
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| 关 键 词： | 单壁碳纳米管 有限元 杨氏模量 分子结构力学 |
| 文章编号： | 0253-987X（2007）09-1066-04 |
| 修稿时间： | 2006-12-06 |
Prediction of Young's Modulus of Small-Diameter Single-Wall Carbon Nanotube with Finite Element Method |
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| Sun Zhenfeng,Qi Lehua,Shu Yang,Li Hejun.Prediction of Young''''s Modulus of Small-Diameter Single-Wall Carbon Nanotube with Finite Element Method[J].Journal of Xi'an Jiaotong University,2007,41(9):1066-1069. |
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| Authors: | Sun Zhenfeng Qi Lehua Shu Yang Li Hejun |
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| Abstract: | Aiming at the difficulties of measurement and simulation for small diameter single-wall carbon nanotube(SWCNT),molecular-mechanics theory associated with finite element analysis is adopted to investigate the Young's modulus,3-D finite element models of armchair,zigzag and chiral nanotubes are established on the ANSYS software platform.With the pure axis loading on the molecular of SWCNT,the Young's modulus is obtained considering the tube diameter and chirality.The influence of the diameter and chirality on the Young's modulus of the SWCNT is discussed.The value of the Young's modulus is found to vary from 0.9 to 1.14 TPa showing a trend of increasing with tube diameter and chirality,and the size effect in small diameter. |
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| Keywords: | single-wall carbon nanotube finite element Young's modulus molecular-mechanics |
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