A molecular mechanics approach for analyzing tensile nonlinear deformation behavior of single-walled carbon nanotubes  

作　　者：Yu Wang Daining Fang Ai Kah Soh Bin Liu 

机构地区：[1]Department of Engineering Mechanics, Tsinghua University, Beijing 100084, China [2]Department of Mechanical Engineering, University of Hong Kong, Hong Kong, China

出　　处：《Acta Mechanica Sinica》2007年第6期663-671,共9页力学学报（英文版）

基　　金：the National Natural Science Foundation of China(10121202,90305015 and 10328203);the Key Grant Project of Chinese Ministry of Education (0306);the Research Grants Council of the Hong Kong Special Administrative Region;China(HKU7195/04E)

摘　　要：In this paper, by capturing the atomic information and reflecting the behaviour governed by the nonlinear potential function, an analytical molecular mechanics approach is proposed. A constitutive relation for single-walled carbon nanotubes （SWCNT＇s） is established to describe the nonlinear stress-strain curve of SWCNT＇s and to predict both the elastic properties and breaking strain of SWCNT＇s during tensile deformation. An analysis based on the virtual internal bond （VIB） model proposed by P. Zhang et al. is also presented for comparison. The results indicate that the proposed molecular mechanics approach is indeed an acceptable analytical method for analyzing the mechanical behavior of SWCNT＇s.In this paper, by capturing the atomic information and reflecting the behaviour governed by the nonlinear potential function, an analytical molecular mechanics approach is proposed. A constitutive relation for single-walled carbon nanotubes （SWCNT＇s） is established to describe the nonlinear stress-strain curve of SWCNT＇s and to predict both the elastic properties and breaking strain of SWCNT＇s during tensile deformation. An analysis based on the virtual internal bond （VIB） model proposed by P. Zhang et al. is also presented for comparison. The results indicate that the proposed molecular mechanics approach is indeed an acceptable analytical method for analyzing the mechanical behavior of SWCNT＇s.

关 键 词：Molecular mechanics approach Carbon nanotube Constitutive relation Young＇s modulus 

分 类 号：O31[理学—一般力学与力学基础]