| CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES |
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Melting of Single-Walled Silicon Carbide Nanotubes: Density Functional Molecular Dynamics Simulation |
| WANG Sheng-Jie, ZHANG Chun-Lai, WANG Zhi-Guo |
| Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054 |
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| Cite this article: |
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WANG Sheng-Jie, ZHANG Chun-Lai, WANG Zhi-Guo 2010 Chin. Phys. Lett. 27 106101 |
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Abstract Density functional molecular dynamics are used to study the melting behavior of single-walled SiC nanotubes. The melting of SiC nanotubes starts from the thermally activated Stone-Wales defects. The melting temperature is found to increase with the increasing diameter of nanotubes. The SiC nanotubes have a high melting temperature larger than 4000 K as the diameter larger than 1.0 nm, which indicates that the SiC nanotubes may be the best candidate of nanoscale electronic and optoelectronic devices under high temperatures.
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| Keywords:
61.46.-w
65.80.-g
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Received: 09 July 2010
Published: 26 September 2010
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| PACS: |
61.46.-w
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(Structure of nanoscale materials)
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65.80.-g
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(Thermal properties of small particles, nanocrystals, nanotubes, and other related systems)
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