Prediction of Young's Modulus of Small-Diameter Single-Wall Carbon Nanotube with Finite Element Method

孙振锋 1; 齐乐华 1; 舒扬 1; 李贺军 2

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Prediction of Young's Modulus of Small-Diameter Single-Wall Carbon Nanotube with Finite Element Method

更新时间：2025-12-08

- Prediction of Young's Modulus of Small-Diameter Single-Wall Carbon Nanotube with Finite Element Method
- Vol. 41, Issue 9, Pages: 1066-1069(2007)
- 作者机构：
  
  西北工业大学机电学院,西安,710072
- 作者简介：
- 基金信息：
- DOI：
  CLC： TB332
- Online First：10 September 2007，
  
  Published：2007
- 稿件说明：
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孙振锋 1, 齐乐华 1, 舒扬 1, et al. Prediction of Young's Modulus of Small-Diameter Single-Wall Carbon Nanotube with Finite Element Method[J]. 2007, 41(9): 1066-1069.
DOI：

孙振锋 1, 齐乐华 1, 舒扬 1, et al. Prediction of Young's Modulus of Small-Diameter Single-Wall Carbon Nanotube with Finite Element Method[J]. 2007, 41(9): 1066-1069. DOI：

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.

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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references

Paras M, Agrawal A, Bala S, et al. A comparison of different methods of Young's modulus determination for single-wall carbon nanotubes(SWCNT)using molecular dynamics(MD)simulations[J]. Computational Materials Science, 2006,38(2): 271-281.

Li Chunyu, Chou Tsuwei. A structural mechanics approach for the analysis of carbon nanotubes[J]. International Journal of Solids and Structures, 2003, 40(10): 2487-2499.

Xiao J R, Gama B A, Gillespie J W. An analytical molecular structural mechanics model for the mechanical properties of carbon nanotubes[J]. International Journal of Solids and Structures, 2005, 42(12): 3075-3092.

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Michele M, Marco R. Prediction of Young's modulus of single wall carbon nanotubes by molecular-mechanics based finite element modelling[J]. Composites Science and Technology, 2006, 66(11): 1597-1605.

Bao Wenxing, Zhu Changchun, Cui Wanzhao. Simulation of Young's modulus of single-walled carbon nanotubes by molecular dynamics[J]. Physica: B, 2004, 352:156-163.

Yu Minfeng, Files B S, Arepalli S, et al. Tensile loading of ropes of single wall carbon nanotubes and their mechanical properties[J]. Physics Review Letters, 2000, A84(24): 5552-5555.

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