Molecular Dynamics Studies of Superionic Conductor CaF_2
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概要
- 論文の詳細を見る
In the molecular dynamics study of the superionic conductor CaF., the Tonic soft-core system, of which the pair potential consists of the Coulombic and soft-corepotentials, is investigated. The influence of the potential, especially of the softness ofthe soft-core repulsion, on the distribution of anions and diffusion paths is studied.We also study the dynamics of the diffusion in comparison with those of cv-Agl.Anions diffuse from a well-defined site to sites with strong correlation amongneighboring anions. In contrast to the case of cr-Agl, both the Coulomb and soft-coreforces between anions are shown to be responsible for the diffusion. It is also shownthat the vibrational properties of mobile and immobile ions are quite different fromthose of cv-Agl.
- 社団法人日本物理学会の論文
- 1988-09-15
著者
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Ueda Akira
Department Of Applied Mathematics And Physics Faculty Of Engineering Kyoto University
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KANEKO Yutaka
Department of Applied Analysis and Complex Dynamical Systems, Graduate School of Informatics, Kyoto
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