Bending buckling of single-walled carbon nanotubes by atomic-scale finite element

2008 ◽  
Vol 39 (1) ◽  
pp. 202-208 ◽  
Author(s):  
X. Guo ◽  
A.Y.T. Leung ◽  
X.Q. He ◽  
H. Jiang ◽  
Y. Huang
Author(s):  
H Ding ◽  
S-J Chen ◽  
K Cheng

In this paper, an atomic-scale finite-element (AFE) model is proposed for single-walled carbon nanotubes (SWCNTs), which are considered to behave like space-frame structures when subjected to loadings. To create the AFE models, three-dimensional beam elements are used to model the bonds between carbon atoms as loading-carrying elements, while the nodes are placed at the locations of carbon atoms to connect the loading-carrying elements. The material properties of beam elements can be determined by using a linkage between molecular and continuum mechanics. In order to evaluate the AFE model and its performance, the influence of tube wall thickness on Young's modulus of SWCNTs is investigated. It is found that the selection of wall thickness significantly affects the magnitude of the Young's modulus. For the values of wall thickness used in this study, the obtained values of Young's modulus agree well with the corresponding theoretical results. Furthermore, the results also illustrate that Young's modulus is inversely proportional to the wall thickness. The presented results demonstrate that the proposed AFE model can be used as a valuable tool for studying the mechanical behaviour of carbon nanotubes.


2013 ◽  
Vol 22 (6) ◽  
pp. 096369351302200
Author(s):  
S.K. Jalan ◽  
B. Nageswara Rao ◽  
S. Gopalakrishnan

Finite element analysis has been performed to study vibrational characteristics of cantilever single walled carbon nanotubes. Finite element models are generated by specifying the C-C bond rigidities, which are estimated by equating energies from molecular mechanics and continuum mechanics. Bending, torsion, and axial modes are identified based on effective mass for armchair, zigzag and chiral cantilever single walled carbon nanotubes, whose Young's modulus is evaluated from the bending frequency. Empirical relations are provided for frequencies of bending, torsion, and axial modes.


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