Publication Type
Journal
Journal Name
Nanotechnology
Publication Date
Page Number
285703
Volume
18
Issue
28
Abstract
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.
