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Mechanical Properties of Single-Walled (5,5) Carbon Nanotubes with Vacancy Defects |
| YUAN Shi-Jun1;KONG Yong2; LI Fa-Shen1 |
| 1Key Lab on Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University, Lanzhou 730000 2Max-Planck-Institut für Metallforschung, Heisenbergstrasse 3, 70569 Stuttgart, Germany |
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YUAN Shi-Jun, KONG Yong, LI Fa-Shen 2007 Chin. Phys. Lett. 24 2036-2039 |
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Abstract First-principles simulation is used to investigate the structural and mechanical properties of vacancy defective single-walled (5,5) carbon nanotubes. The relations of the defect concentration, distribution and characteristic of defects to Young's modulus of nanotubes are quantitatively studied. It is found that each dangling-bond structure (per supercell) decreases Young's modulus of nanotube by 6.1% for symmetrical distribution cases. However the concentrative vacancy structure with saturated atoms has less influence on carbon nanotubes. It is suggested that the mechanical properties of carbon nanotubes depend strongly upon the structure and relative position of vacancies in a certain defect concentration.
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61.46.-w
62.25.+g
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Received: 10 April 2007
Published: 25 June 2007
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