摘要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.
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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