%0 Journal Article
%T End structures of single-walled carbon nanotube at different temperatures<br>温度对单壁碳纳米管端口结构的影响
%A Chen Wei
%A Luo Cheng-Lin
%A <br>陈 伟
%A 罗成林
%J 物理学报
%D 2006
%I 
%X We have simulated the end structures of perfect single-walled carbon nanotube at temperatures from 2000 K to 3500 K using tight binding molecular dynamics method. Our calculations suggest that the effect of temperature on the ends of the nanotubes is important. The two ends of a perfect single-walled carbon nanotube closes in turn at 3000 K and 3500 K within 15 ps. As the temperature increases, the two ends of a perfect single-walled carbon nanotube will close more quickly. Both processes of closing of two ends are accompanied by the lowing of the system energy. Moreover, the ends of armchair-type carbon nanotube close easier than those of zigzag carbon nanotube with the same diameter due to the lower strain energy of the former.
%K carbon nanotube
%K tight binding approximation<br>碳纳米管
%K 紧束缚势
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6e709dc38fa1d09a4b578dd0906875b5b44d4d294832bb8e&cid=47ea7cfddebb28e0&jid=29df2cb55ef687e7efa80dfd4b978260&aid=0310d17eb8df33ff&yid=37904dc365dd7266&vid=e514ee58e0e50ecf&iid=ca4fd0336c81a37a&sid=b54eb62e9d3ff31e&eid=5a735990d5de8bf4&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=17