Framework solid electrolytes

Effective potentials and conditional probabilities for correlated motion

Solomon Jacobson, Mark A Ratner

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

For framework systems, Brownian dynamics is usually valid for determining response properties, because of effective timescale separation between mobile-ion and lattice motions. The mobile ion motions, however, are strongly correlated, and, in the presence of nonuniform potential of the framework, the ionic many-body problem is quite complex. As a possible alternative to dynamic simulations, we propose a static decoupling which is based upon rewriting the three-particle conditional density as a static, zero-temperature equilibrium expression. This procedure yields two-particle conditional densities which appear to treat both the long-range and nonuniform potentials reasonably. Effects of screening and pinning for both incommensurate systems are properly described.

Original languageEnglish
Pages (from-to)129-132
Number of pages4
JournalSolid State Ionics
Volume5
Issue numberC
DOIs
Publication statusPublished - 1981

Fingerprint

ion motion
Solid electrolytes
solid electrolytes
Ions
many body problem
decoupling
Screening
screening
Computer simulation
simulation
Temperature
temperature

ASJC Scopus subject areas

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

Cite this

Framework solid electrolytes : Effective potentials and conditional probabilities for correlated motion. / Jacobson, Solomon; Ratner, Mark A.

In: Solid State Ionics, Vol. 5, No. C, 1981, p. 129-132.

Research output: Contribution to journalArticle

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