Abstract
Deformation behavior of five types of X-junctions made from ultrathin single-walled carbon nanotubes has been investigated using molecular dynamics (MD) simulation. Three different deformation modes were observed. If the junction is strong, such as some (3,3)-(3,3) junctions, bonds will be broken at individual nanotubes rather than at the junction region. In this case, original bonding structures around the X-junctions will be maintained. However, for some other (3,3)-(3,3) junctions and those X-junctions formed by (5,0)-(5,0) nanotubes, bonds at the junction region were broken and reconstructed under tensile load. This resulted in the transformation of 3-D junctions into a 2-D type. Either one neck or two necks may be nucleated near the junction. Random seed numbers used in MD simulations plays an important role in the outcomes of the deformation process, which is due to the small number of carbon atoms involved in the junction regions.
| Original language | English |
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| Title of host publication | Technical Proceedings of the 2009 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2009 |
| Pages | 450-453 |
| Number of pages | 4 |
| Volume | 3 |
| Publication status | Published - 1 Dec 2009 |
| Event | Nanotechnology 2009: Biofuels, Renewable Energy, Coatings, Fluidics and Compact Modeling - 2009 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2009 - Houston, TX, United States Duration: 3 May 2009 → 7 May 2009 |
Conference
| Conference | Nanotechnology 2009: Biofuels, Renewable Energy, Coatings, Fluidics and Compact Modeling - 2009 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2009 |
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| Country/Territory | United States |
| City | Houston, TX |
| Period | 3/05/09 → 7/05/09 |
Keywords
- Mechanical properties
- Molecular dynamics simulation
- Single-walled carbon nanotubes
- X-junctions
ASJC Scopus subject areas
- Biotechnology
- Biomedical Engineering
- Biomaterials