Molecular Dynamics Study of Model System for C_8K Type Compounds

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概要

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• By using the molecular dynamics method, structural and dynamical properties of amodel system of C.K type compounds are studied. The model consists of one inter-calant layer sandwiched by rigid graphite layers. The solid-liquid transition of infercalant ion system is observed, and the static and dynamical )croperties of the liquidstate are investigated. The calculation of the pair distribution function clarifies thecharacteristic local structure of the "liquid". The observation of traces of the Tonicmotions reveals that the motions of ions have a strong correlation. It is not the casethat an individual ion jumps from a site to another one independently. The analysisof the activation energy of fate calculated self-diffusion constant of the intercalantions also leads to a conclusion consistent with this.

• 社団法人日本物理学会の論文
• 1987-01-15

著者

• NAKAO Kenji

  Institute of Materials Science, University of Tsukuba

• Hiramoto Hisashi

  Institute Of Materials Science University Of Tsukuba

• Hiramoto Hisashi

  Department Of Physics College Of Humanities And Sciences Nihon University

• Hiramoto H

  Univ. Tsukuba Ibaraki

• Nakao Kenji

  Institute Of Materials Science University Of Tsukiba

• Nakao Kenji

  Institute Of Materials Science Uneversity If Tsukuba

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