Velocity correlation between mobile Ag ions in Ag β-alumina by MD calculation

O. Kamishima, J. Kawamura

Research output: Contribution to journalArticle

Abstract

The diffusional motion of mobile Ag ions was studied by molecular dynamics (MD) simulation in the super ionic conductor Ag β-alumina. The diffusion coefficient of Ag ion was estimated from the mean square displacement and the velocity correlation function, especially from the cross-correlation among the Ag ions. The velocity auto-correlation and cross-correlation functions exhibited approximately similar contribution to the Ag ionic diffusion at 300 K. The result of cross-correlation occurring cooperative ionic motion provided a qualitative explanation for the super ionic conduction.

Original languageEnglish
Pages (from-to)210-213
Number of pages4
JournalSolid State Ionics
Volume317
DOIs
Publication statusPublished - 2018 Apr

Keywords

  • MD simulation
  • Velocity correlation function
  • β-Alumina

ASJC Scopus subject areas

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

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