A structural mechanics approach for predicting the mechanical properties of carbon nanotubes

被引:54
|
作者
Wan, H. [1 ]
Delale, F. [1 ]
机构
[1] CUNY City Coll, Dept Mech Engn, New York, NY 10031 USA
关键词
Carbon nanotubes; Mechanical properties; Young's modulus; Bending stiffness; Buckling; ELASTIC PROPERTIES; SINGLE-WALL;
D O I
10.1007/s11012-009-9222-2
中图分类号
O3 [力学];
学科分类号
08 ; 0801 ;
摘要
Based on molecular mechanics, a structural mechanics model of carbon nanotubes (CNTs) was developed with special consideration given to the bending stiffness of the graphite layer. The potentials associated with the atomic interactions within a CNT were evaluated by the strain energies of beam elements which serve as structural substitutions of covalent bonds in a CNT. In contrast to the original model developed by Li and Chou (Int. J. Solids Struct. 40(10):2487-2499, 2003), in the current model the out-of-plane deformation (inversion) of the bond was distinguished from the in-plane deformation by considering a rectangular cross-section for the beam element. Consequently, the model is able to study problems where the effect of local bending of the graphite layer in a carbon nanotube is significant. A closed-form solution of the sectional properties of the beam element was derived analytically. The model was verified through the analysis of rolling a graphite sheet into a carbon nanotube. Using the present model, the buckling behavior of nanotubes under bending is simulated. The predicted critical bending angle agrees well with molecular dynamics simulations.
引用
收藏
页码:43 / 51
页数:9
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