Evaluation of Mechanical Properties of Single-Walled Carbon Nanotubes
A micromechanical finite element model incorporated with molecular mechanics is employed to determine the mechanical properties of single-walled carbon nanotubes (SWCNT). The SWCNT is modelled as a space-frame structure. The bonds between the carbon atoms are simulated as beam members to carry the loads, while the carbon atoms are the joints of the members. The modified Morse potential is adopted to characterize the non-linear behavior of C-C bonds. In this work, the mechanical properties of SWCNT such as the Young’s modulus, ultimate strength and strain are investigated. To verify the proposed FE model and evaluate its performance, the effects of diameter and chirality on the mechanical properties of SWCNT are presented. It is found that both the Young’s modulus and ultimate strength of SWCNT increase monotonically with the increase of diameter. The Young’s modulus of armchair is larger than that of zigzag SWCNTs. These results are in good agreement with the existing numerical and experimental results.
S. C. Her and S. J. Liu, "Evaluation of Mechanical Properties of Single-Walled Carbon Nanotubes", Materials Science Forum, Vol. 694, pp. 12-16, 2011