Superdefects in Na β″ alumina: Computer simulation of ionic conductivity and conduction mechanisms

Alexander Pechenik, D. H. Whitmore, Mark A Ratner

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

Mobile-ion correlation phenomena in Na+-β″ alumina are studied using the Monte-Carlo (MC) method to analyze a lattice hopping model of ionic behavior. Ionic conductivity is calculated for various ion-site occupancies, ρ{variant}'s, and a wide range of temperatures. Significant curvature of the Arrhenius plot, which resembles certain experimental data on β″ aluminas, is found for ρ{variant} {reversed tilde equals} 0.5. This observation is analyzed in terms of formation of a long-range ordered superlattice. The mechanism of charge transport on the superlattice involves movement of complex defects of the vacancy-type, which we call supervacancies, or of the interstitial-type, which we call superinterstitials. The Nernst-Einstein relation holds for superdefects. Finally, the optimum ion density for conduction is estimated for different temperatures.

Original languageEnglish
Pages (from-to)287-294
Number of pages8
JournalSolid State Ionics
Volume9-10
Issue numberPART 1
DOIs
Publication statusPublished - 1983

Fingerprint

Ionic conduction
Aluminum Oxide
Ionic conductivity
ion currents
Alumina
aluminum oxides
computerized simulation
Ions
conduction
Computer simulation
Monte Carlo method
Arrhenius plots
interstitials
ions
plots
curvature
Vacancies
temperature
Charge transfer
defects

ASJC Scopus subject areas

  • Electrochemistry
  • Physical and Theoretical Chemistry
  • Energy Engineering and Power Technology
  • Materials Chemistry
  • Condensed Matter Physics

Cite this

Superdefects in Na β″ alumina : Computer simulation of ionic conductivity and conduction mechanisms. / Pechenik, Alexander; Whitmore, D. H.; Ratner, Mark A.

In: Solid State Ionics, Vol. 9-10, No. PART 1, 1983, p. 287-294.

Research output: Contribution to journalArticle

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