Molecular Dynamics Studies of Superionic Conductor(CaF2)

• Kaneko Yutaka

  Department of Applied Mathematics and Physics, Faculty of Engineering, Kyoto University

• Ueda Akira

  Department of Applied Mathematics and Physics, Faculty of Engineering, Kyoto University

書誌事項

タイトル別名

• Molecular Dynamics Studies of Superionic Conductor CaF<SUB>2</SUB>
• Molecular Dynamics Studies of Superioni

抄録

In the molecular dynamics study of the superionic conductor CaF₂, the ionic soft-core system, of which the pair potential consists of the Coulombic and soft-core potentials, is investigated. The influence of the potential, especially of the softness of the 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 α-AgI. Anions diffuse from a well-defined site to sites with strong correlation among neighboring anions. In contrast to the case of α-AgI, both the Coulomb and soft-core forces between anions are shown to be responsible for the diffusion. It is also shown that the vibrational properties of mobile and immobile ions are quite different from those of α-AgI.

収録刊行物

• Ｊｏｕｒｎａｌ　ｏｆ　ｔｈｅ　Ｐｈｙｓｉｃａｌ　Ｓｏｃｉｅｔｙ　ｏｆ　Ｊａｐａｎ

  Ｊｏｕｒｎａｌ　ｏｆ　ｔｈｅ　Ｐｈｙｓｉｃａｌ　Ｓｏｃｉｅｔｙ　ｏｆ　Ｊａｐａｎ 57 (9), 3064-3073, 1988

  一般社団法人 日本物理学会

キーワード

• General Physics and Astronomy

詳細情報

• CRID: 1390001204188335616
• NII論文ID: 210000094199
• NII論文ID: 110001968295
• NII論文ID: 130003740270
• NII書誌ID: AA00704814
• DOI: 10.1143/jpsj.57.3064
• BIBCODE: 1988JPSJ...57.3064K
• COI: 1:CAS:528:DyaL1cXmtlOhsbg%3D
• ISSN: 13474073
• ISSN: 00319015
• NDL書誌ID: 3203329
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I3203329
• Web Site: http://journals.jps.jp/doi/pdf/10.1143/JPSJ.57.3064
• 本文言語コード: en
• データソース種別:
  • JaLC
  • NDL
  • Crossref
  • CiNii Articles
• 抄録ライセンスフラグ: 使用不可