Dynamic Correlation and Cation Diffusion in α-AgI
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概要
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The diffusive motion of cations in the model system of a-Agl is studied with use ofa molecular dynamics(MD) method. The static and dynamic correlations among catTons and anions are analysed by the following three approaches. First the correlationbetween the diffusing cations and the tetrahedron(TH) of the anion bcc sublattice isexamined. The potential energy experienced by cations which move from one TH toits nearest neighbor TH is calculated. It is found that the main driving force responsi-ble for diffusion is the Coulomb force. Secondly the space- and time correlation functions are investigated. Finally we have produced the 16 mm movie from the MD datain order to observe the ionic motion directly. Strongly correlated motions between cat-ions and anions are clearly observed.
- 1986-11-15
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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