Molecular dynamics theory and second reactive empirical bond order (REBO) potential are employed to determine the mechanical and dynamic properties of (10,10) and (17,0) single-wall carbon nanotubes (SWNT). According to the different simulated environment, the article can be divided into two parts and discussed.
The mechanical properties of SWNT in vacuum environment are investigated by tensile process. The physical parameters can be obtained during the tensile process, for example, the yield stress and the Young¡¦s modulus. In addition, the slip vector can be used to investigate the dynamic behaviors of carbon nanotubes during the tensile process and the variation of microstructure after carbon nanotubes broken.
Moreover, the mechanical properties of SWNT in the bulk water are also taken into account. In this section, we mainly investigate the effect of the structure of water molecules in the SWNT with different diameters of SWNT. Finally, the mechanical properties of SWNT influenced by water molecules inside the carbon nanotubes are investigated, and compare the results with those in vacuum environment.
| Identifer | oai:union.ndltd.org:NSYSU/oai:NSYSU:etd-0903108-141455 |
| Date | 03 September 2008 |
| Creators | Wu, Wen-Shian |
| Contributors | Lin Jenn-Sen, Lin Jenn-Sen, Jin-Yuan Hsieh, Jee-Gong Chang, Shin-Pon Ju, Shih-Jye Sun, Jin-Yuan Hsieh |
| Publisher | NSYSU |
| Source Sets | NSYSU Electronic Thesis and Dissertation Archive |
| Language | Cholon |
| Detected Language | English |
| Type | text |
| Format | application/pdf |
| Source | http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0903108-141455 |
| Rights | campus_withheld, Copyright information available at source archive |
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