[1]何向东,罗成林.单壁碳纳米管端口连接过程的计算模拟[J].南京师大学报(自然科学版),2010,33(04):44-47.
 He Xiangdong,Luo Chenglin.Simulation Calculation for SWNT’s Ports Junctions Process[J].Journal of Nanjing Normal University(Natural Science Edition),2010,33(04):44-47.
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单壁碳纳米管端口连接过程的计算模拟()
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《南京师大学报(自然科学版)》[ISSN:1001-4616/CN:32-1239/N]

卷:
第33卷
期数:
2010年04期
页码:
44-47
栏目:
物理学
出版日期:
2010-12-20

文章信息/Info

Title:
Simulation Calculation for SWNT’s Ports Junctions Process
作者:
何向东;罗成林;
南京师范大学物理科学与技术学院, 江苏南京210097
Author(s):
He XiangdongLuo Chenglin
School of Physics and Technology,Nanjing Normal University,Nanjing 210097,China
关键词:
碳纳米管 紧束缚近似 分子动力学
Keywords:
junction o f carbon nano tube tight b ind ing approx im ation m o lecular dynam ics
分类号:
TB383.1
摘要:
利用紧束缚分子动力学模拟方法,模拟计算了(4,0)型单壁碳纳米管构成的"V"型结构在不同温度下端口连接的过程.计算结果表明,对于端口不固定的V型结构,在确定的温度以上,2根碳管将实现接口处的平滑连接而最终演变成长直的完美单管,接口的痕迹和历史可以完全消除,这可能是产生长直单壁管的一种方式.
Abstract:
W e have sim ulated the junc tions o fV-shaped carbon nanotube by tight- b ind ing approx im ation w ith m o lecu lar dynam ics ( TBMDs). The sim ulation results im ply that w ith a proper temperature, two nano tubesw ill connec t toge ther to form a long stra ight nanotube ifm otions of a ll atom s arew ithou t constra int. If atom s on the far ends o f two nanotubes are fixed, the junction o f two nano tubes w ill not be imp lem ented.

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备注/Memo

备注/Memo:
基金项目: 江苏省自然科学基金( BK2008047 )、教育部博士点基金( 200803190004) . 通讯联系人: 何向东, 讲师, 研究方向: 材料物理. E-mail:06087@ njnu. edu. cn
更新日期/Last Update: 2013-04-08