| Structure of Lennard–Jones nanowires encapsulated by carbon nanotubes |
| |
| 引用本文： | 吴雯倩,田明丽,陈航燕,袁清红,孙得彦. Structure of Lennard–Jones nanowires encapsulated by carbon nanotubes[J]. 中国物理 B, 2014, 23(1): 16104-016104. DOI: 10.1088/1674-1056/23/1/016104 |
| |
| 作者姓名： | 吴雯倩 田明丽 陈航燕 袁清红 孙得彦 |
| |
| 作者单位： | a Department of Physics, East China Normal University, Shanghai 200062, China;b College of Electric and Information Engineering, Pingdingshan University, Pingdingshan 467000, China |
| |
| 基金项目： | Project supported by the National Natural Science Foundation of China(Grant No.11174079);the National Basic Research Program of China(Grant No.2012CB921401);the Shuguang and Innovation Program of Shanghai Education Committee,China |
| |
| 摘 要： | Molecular dynamics simulations have been performed to investigate the structures of Lennard–Jones(LJ) nanowires(NWs) encapsulated in carbon nanotubes(CNTs). We find that the structures of NWs in a small CNT only adopt multi-shell motifs, while the structures of NWs in a larger CNT tend to adopt various motifs. Among these structures, three of them have not been reported previously. The phase boundaries among these structures are obtained regarding filling fractions, as well as the interaction between NWs and CNTs.
|
| 关 键 词： | structure of nanowires carbon nanotubes molecular dynamics simulation |
| 收稿时间： | 2013-08-08 |
Structure of Lennard–Jones nanowires encapsulated by carbon nanotubes |
| |
| Wu Wen-Qian,Tian Ming-Li,Chen Hang-Yan,Yuan Qing-Hong,Sun De-Yan. Structure of Lennard–Jones nanowires encapsulated by carbon nanotubes[J]. Chinese Physics B, 2014, 23(1): 16104-016104. DOI: 10.1088/1674-1056/23/1/016104 |
| |
| Authors: | Wu Wen-Qian Tian Ming-Li Chen Hang-Yan Yuan Qing-Hong Sun De-Yan |
| |
| Affiliation: | a Department of Physics, East China Normal University, Shanghai 200062, China;b College of Electric and Information Engineering, Pingdingshan University, Pingdingshan 467000, China |
| |
| Abstract: | Molecular dynamics simulations have been performed to investigate the structures of Lennard–Jones (LJ) nanowires (NWs) encapsulated in carbon nanotubes (CNTs). We find that the structures of NWs in a small CNT only adopt multi-shell motifs, while the structures of NWs in a larger CNT tend to adopt various motifs. Among these structures, three of them have not been reported previously. The phase boundaries among these structures are obtained regarding filling fractions, as well as the interaction between NWs and CNTs. |
| |
| Keywords: | structure of nanowires carbon nanotubes molecular dynamics simulation |
| 本文献已被 CNKI 等数据库收录！ |
| 点击此处可从《中国物理 B》浏览原始摘要信息 |
|
点击此处可从《中国物理 B》下载免费的PDF全文 |
