単層カーボンナノチューブ生成過程の分子動力学  [in Japanese] Molecular Dynamics in Formation Process of Single-Walled Carbon Nanotubes  [in Japanese]

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Author(s)

    • 澁田 靖 SHIBUTA Yasushi
    • 東京大学大学院工学系研究科機械工学専攻 Department of Mechanical Engineering, The University of Tokyo

Abstract

The formation mechanism of single-walled carbon nanotubes (SWNTs) was studied with the molecular dynamics simulation. Starting from randomly distributed carbon and nickel atoms, random cage structures of carbon atoms with a few nickel atoms were obtained after 6 ns simulation. Nickel atoms on the random cage prohibited the complete closure and anneal of the cage structure into the fullerene structure. In the next stage the simulation cell size was artificially shrunk for realization of proceeding collisions of precursor clusters within the computational time limit. Collisions of such imperfect random-cage clusters lead to an elongated tubular cage structure, which could be regarded as an imperfect SWNTs. Furthermore, we compared simulation results with the FT-ICR mass spectra of the positive clusters generated by the laser-vaporization supersonic-expansion cluster beam source.

Journal

  • Transactions of the Japan Society of Mechanical Engineers. Series B.

    Transactions of the Japan Society of Mechanical Engineers. Series B. 68(675), 3087-3092, 2002-11-25

    The Japan Society of Mechanical Engineers

References:  23

Cited by:  3

Codes

  • NII Article ID (NAID)
    110002387641
  • NII NACSIS-CAT ID (NCID)
    AN00187441
  • Text Lang
    JPN
  • Article Type
    Journal Article
  • ISSN
    03875016
  • NDL Article ID
    6366097
  • NDL Source Classification
    ZN11(科学技術--機械工学・工業)
  • NDL Call No.
    Z16-109
  • Data Source
    CJP  CJPref  NDL  NII-ELS 
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