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Structure of Lennard-Jones nanowires encapsulated by carbon nanotubesStructure of Lennard-Jones nanowires encapsulated by carbon nanotubesStructure of Lennard-Jones nanowires encapsulated by carbon nanotubesStructure of Lennard-Jones nanowires encapsulated by carbon nanotubesStructure of Lennard-Jones nanowires encapsulated by carbon nanotubes
作者姓名:吴雯倩  田明丽  陈航燕  袁清红  孙得彦
作者单位:[1]Department of Physics, East China Normal University, Shanghai 200062, China [2]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), and 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
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