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

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

Research output: Contribution to journalArticle

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.

Original languageEnglish
Pages (from-to)47-49
Number of pages3
JournalSolid State Ionics
Volume225
DOIs
Publication statusPublished - Oct 4 2012
Externally publishedYes

Fingerprint

ionic diffusion
Aluminum Oxide
Alumina
aluminum oxides
Ions
Structural relaxation
ions
Cations
Positive ions
cations
radii
energy
configurations

Keywords

  • β-Alumina
  • Many-body effects
  • MD calculation

ASJC Scopus subject areas

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

Cite this

A partial ordering of Ag and ionic diffusion in Ag β-alumina by MD calculation. / Kamishima, O.; Kawamura, K.; Hattori, T.; Kawamura, J.

In: Solid State Ionics, Vol. 225, 04.10.2012, p. 47-49.

Research output: Contribution to journalArticle

Kamishima, O. ; Kawamura, K. ; Hattori, T. ; Kawamura, J. / A partial ordering of Ag and ionic diffusion in Ag β-alumina by MD calculation. In: Solid State Ionics. 2012 ; Vol. 225. pp. 47-49.
@article{1a6fe5c1feec4d759402c2a9b9a23a66,
title = "A partial ordering of Ag and ionic diffusion in Ag β-alumina by MD calculation",
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 = "β-Alumina, Many-body effects, MD calculation",
author = "O. Kamishima and K. Kawamura and T. Hattori and J. Kawamura",
year = "2012",
month = "10",
day = "4",
doi = "10.1016/j.ssi.2012.04.017",
language = "English",
volume = "225",
pages = "47--49",
journal = "Solid State Ionics",
issn = "0167-2738",
publisher = "Elsevier",

}

TY - JOUR

T1 - A partial ordering of Ag and ionic diffusion in Ag β-alumina by MD calculation

AU - Kamishima, O.

AU - Kawamura, K.

AU - Hattori, T.

AU - Kawamura, J.

PY - 2012/10/4

Y1 - 2012/10/4

N2 - 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.

AB - 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.

KW - β-Alumina

KW - Many-body effects

KW - MD calculation

UR - http://www.scopus.com/inward/record.url?scp=84867579983&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84867579983&partnerID=8YFLogxK

U2 - 10.1016/j.ssi.2012.04.017

DO - 10.1016/j.ssi.2012.04.017

M3 - Article

VL - 225

SP - 47

EP - 49

JO - Solid State Ionics

JF - Solid State Ionics

SN - 0167-2738

ER -