Melting and Premelting of Carbon Nanotubes
Journal Article
·
· Nanotechnology
- Xiangtan University, Xiangtan Hunan, China
- ORNL
We report results of molecular dynamics simulations of melting and premelting of single-walled carbon nanotubes (SWNTs). We found that the traditional critical Lindemann parameter for melting of bulk crystals is not valid for SWNTs. Using the much smaller critical Lindemann parameter for melting of nanoparticles as a criterion, we show that the melting temperature of perfect SWNTs is 4800K. We further show that Stone-Wales defects in a SWNT significantly reduce the melting temperature of atoms around the defects, resulting in premelting of SWNTs at 2600K.
- Research Organization:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- DOE Contract Number:
- DE-AC05-00OR22725
- OSTI ID:
- 931727
- Journal Information:
- Nanotechnology, Vol. 18, Issue 28; ISSN 0957-4484
- Country of Publication:
- United States
- Language:
- English
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