Tight-binding Molecular Dynamics Simulation of Fullerene Collision Processes

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概要

• 論文の詳細を見る

• Motivated by the possibility of observing fullerene binding, we have performed preliminary tight-binding molecular dynamics (TBMD) of fullerene collisions. A new parametrization that can reproduce well the energetics of all the phases of carbon with coordination numbers varying from 2 to 12 is proposed. In this paper, we tentatively discuss the possibility of observing experimentally C_<60>-C_<60> bonding by the C_<60>-C_<60> collision processes with TBMD.C_<60>fullerenetight-binding molecular dynamicscollision process

• 東北大学の論文
• 1996-03-22

著者

• KAWAZOE Yoshiyuki

  Institute for Materials Research, Tohoku University

• Ohno K

  Tohoku Univ. Sendai Jpn

• Ohno Kaoru

  Institute for Materials Research

• HASHI Yuichi

  Research and Development Center, Hitachi Tohoku Software Ltd.

• Esfarjani Keivan

  Institute for Materials Research, Tohoku University

• Kawazoe Yoshiyuki

  Institute For Material Research Tohoku University

• Ohno K

  Department Of Electronics And Electrical Engineering Faculty Of Science And Technologies Keio Univer

• Hashi Yuichi

  Institute For Materials Research Tohoku University:research And Development Center Hitachi Tohoku So

• ESFARJANI Keivan

  Department of Physics, Sharif University of Technology

• Esfarjani K

  Department Of Physics Sharif University Of Technology

• Esfarjani Keivan

  Institute For Materials Research Tohoku University

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