Simulation of the fracture behavior of single-walled carbon nanotubes with a single atom vacancy by the finite element method

ZHANG Xu; QI Le-hua; SHU Yang; FU Qian-gang; LI He-jun

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Article Navigation > New Carbon Mater. > 2016 > 31(6): 646-650

ZHANG Xu, QI Le-hua, SHU Yang, FU Qian-gang, LI He-jun. Simulation of the fracture behavior of single-walled carbon nanotubes with a single atom vacancy by the finite element method. New Carbon Mater., 2016, 31(6): 646-650.

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Simulation of the fracture behavior of single-walled carbon nanotubes with a single atom vacancy by the finite element method

1.
School of Mechanical and Electrical Engineering, Northwestern Polytechnical University, Xi'an 710072, China;
2.
School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an 710072, China

Funds: National Natural Science Foundation of China (51275417, 51221001).

Received Date: 2016-07-20
Accepted Date: 2016-12-26
Rev Recd Date: 2016-12-06
Publish Date: 2016-12-28

Abstract

Abstract

A finite element model of single-walled carbon nanotubes (SWCNTs) was established using ANSYS parametric design language, by which their fracture behavior was simulated on the platform of ANSYS using the criterion of the fracture of a carbon-carbon bond based on the Morse potential. The influence of a single atomic vacancy on the tensile strength and ultimate strain of SWCNTs was investigated. Results showed that the tensile strength and ultimate strain of perfect SWCNTs are about 120 GPa and 22%, respectively. Values for SWCNTs with the single vacancy are 20-30% and 12-18% less than those of the perfect ones. This is why the experimental tensile strengths of SWCNTs are far less than the theoretical predicted values. In addition, the tensile strengths of SWCNTs are anisotropic at large deformations, which agrees well with the simulation results obtained using molecular mechanics.
- Single-walled carbon nanotubes,
- Finite element method,
- Vacancy,
- Tensile strength,
- Ultimate strain.

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References(15)

References

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