Title of article
A partial ordering of Ag and ionic diffusion in Ag β-alumina by MD calculation
Author/Authors
Kamishima، نويسنده , , O. and Kawamura، نويسنده , , K. and Hattori، نويسنده , , T. and Kawamura، نويسنده , , J.، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2012
Pages
3
From page
47
To page
49
Abstract
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.
Keywords
?-alumina , MD calculation , Many-body effects
Journal title
Solid State Ionics
Serial Year
2012
Journal title
Solid State Ionics
Record number
1711623
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