A partial ordering of Ag and ionic diffusion in Ag β-alumina by MD calculation

O. Kamishima, K. Kawamura, T. Hattori, J. Kawamura

    研究成果: Article査読

    抄録

    The characteristics of cation diffusion with many-body effects have been discussed in Ag β-alumina by MD calculation. It was found that the Ag-Ag repulsion changes the dynamics of the Ag ions from a random hopping to a cooperative motion. When the repulsive energy of Ag-Ag pair becomes strong, the Ag ions take the configuration to separate the micro domains which belong to BR or aBR sites, and the ionic diffusion becomes difficult by the additional energy required for the structural relaxation of its partial ordered region. It shows that the ionic radius of the mobile ion plays an important role to the fast ionic diffusion.

    本文言語English
    ページ(範囲)47-49
    ページ数3
    ジャーナルSolid State Ionics
    225
    DOI
    出版ステータスPublished - 2012 10 4

    ASJC Scopus subject areas

    • Chemistry(all)
    • Materials Science(all)
    • Condensed Matter Physics

    フィンガープリント 「A partial ordering of Ag and ionic diffusion in Ag β-alumina by MD calculation」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

    引用スタイル