| Mechanical Properties of Single-Walled （5,5） Carbon Nanotubes with Vacancy Defects |
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| 引用本文： | 袁士俊,孔勇,李发伸.Mechanical Properties of Single-Walled （5,5） Carbon Nanotubes with Vacancy Defects[J].中国物理快报,2007,24(7):2036-2039. |
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| 作者姓名： | 袁士俊 孔勇 李发伸 |
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| 作者单位： | [1]Key Lab on Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University, Lanzhou 730000 [2]Max-Planck-Institut fur Metallforschung, Heisenbergstrasse 3, 70569 Stuttgart, Germany |
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| 基金项目： | Supported by the National Natural Science Foundation of China under Grant No 90505007. |
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| 摘 要： | 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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| 关 键 词： | 空位缺陷 机械学 碳元素 物理 |
| 收稿时间： | 2007-4-10 |
| 修稿时间： | 2007-04-10 |
Mechanical Properties of Single-Walled (5,5) Carbon Nanotubes with Vacancy Defects |
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| YUAN Shi-Jun,KONG Yong,LI Fa-Shen.Mechanical Properties of Single-Walled (5,5) Carbon Nanotubes with Vacancy Defects[J].Chinese Physics Letters,2007,24(7):2036-2039. |
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| Authors: | YUAN Shi-Jun KONG Yong LI Fa-Shen |
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| Institution: | Key Lab on Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University, Lanzhou 730000 Max-Planck-Institut für Metallforschung, Heisenbergstrasse 3, 70569 Stuttgart, Germany |
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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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| Keywords: | 61 46 -w 62 25 +g |
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