基板上の金属粒子からの単層カーボンナノチューブ生成の分子動力学法シミュレーション  [in Japanese] Molecular Dynamics Simulation of Nucleation Process of Single-Walled Carbon Nanotubes from a Metal Cluster on a Substrate  [in Japanese]

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Author(s)

Abstract

Nucleation process of single-walled carbon nanotubes (SWNTs) from a transition metal cluster on a substrate is studied by using a classical molecular dynamics (MD) simulation. For describing the effect of the substrate, averaged one-dimensional Lennard-Jones potential is employed between the metal cluster and the bottom boundary of the simulation cell. The parameters of the averaged one-dimensional Lennard-Jones potential describe the different degree of wettability. Nucleation process of nanotube caps from Ni_<108>, Ni_<256> and Ni_<500> clusters on a substrate are compared. Moreover, wettability of the Ni cluster and the Ni-Carbide cluster is compared by MD simulation of annealing process on a substrate. Finally, results are compared with the nucleation process of SWNT from a non-supported cluster for discussing of the role of the substrate at a nucleation stage of SWNT.

Journal

  • Transactions of the Japan Society of Mechanical Engineers B

    Transactions of the Japan Society of Mechanical Engineers B 72(722), 2519-2523, 2006-10-25

    The Japan Society of Mechanical Engineers

References:  18

Codes

  • NII Article ID (NAID)
    110004837215
  • NII NACSIS-CAT ID (NCID)
    AN00187441
  • Text Lang
    JPN
  • Article Type
    ART
  • ISSN
    03875016
  • NDL Article ID
    8556533
  • NDL Source Classification
    ZN11(科学技術--機械工学・工業)
  • NDL Call No.
    Z16-109
  • Data Source
    CJP  NDL  NII-ELS 
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