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Title: Melting and Premelting of Carbon Nanotubes

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.

Authors:
 [1];  [2];  [2]
  1. Xiangtan University, Xiangtan Hunan, China
  2. ORNL
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
931727
DOE Contract Number:
DE-AC05-00OR22725
Resource Type:
Journal Article
Resource Relation:
Journal Name: Nanotechnology; Journal Volume: 18; Journal Issue: 28
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 77 NANOSCIENCE AND NANOTECHNOLOGY; CARBON; MELTING; NANOTUBES; MOLECULAR DYNAMICS METHOD; MELTING POINTS

Citation Formats

Zhang, Kaiwang, Stocks, George Malcolm, and Zhong, Jianxin. Melting and Premelting of Carbon Nanotubes. United States: N. p., 2007. Web. doi:10.1088/0957-4484/18/28/285703.
Zhang, Kaiwang, Stocks, George Malcolm, & Zhong, Jianxin. Melting and Premelting of Carbon Nanotubes. United States. doi:10.1088/0957-4484/18/28/285703.
Zhang, Kaiwang, Stocks, George Malcolm, and Zhong, Jianxin. Mon . "Melting and Premelting of Carbon Nanotubes". United States. doi:10.1088/0957-4484/18/28/285703.
@article{osti_931727,
title = {Melting and Premelting of Carbon Nanotubes},
author = {Zhang, Kaiwang and Stocks, George Malcolm and Zhong, Jianxin},
abstractNote = {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.},
doi = {10.1088/0957-4484/18/28/285703},
journal = {Nanotechnology},
number = 28,
volume = 18,
place = {United States},
year = {Mon Jan 01 00:00:00 EST 2007},
month = {Mon Jan 01 00:00:00 EST 2007}
}