Monte carlo simulation of a coulomb gas in simple cubic lattice

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Monte Carlo simulation of Coulomb lattice gas has been developed to investigate the radial pair distribution function and the self-diffusion coefficient in simple cubic lattice with fixed number of particles corresponding to a stoichiometric composition. The Coulomb interactions were explicitly taken into account within a sphere, whereas the contribution of long-range terms were handled via mean field approximation. Simulations carried out at different temperatures show significant variations in the short-range order. A competition between the long-range order and the screening was observed.

Original languageEnglish
Pages (from-to)86-88
Number of pages3
JournalSolid State Ionics
Volume28-30
Issue numberPART 1
DOIs
Publication statusPublished - 1988

Fingerprint

cubic lattices
Coulomb interactions
Distribution functions
Screening
Gases
Chemical analysis
gases
screening
diffusion coefficient
simulation
distribution functions
Temperature
approximation
interactions
temperature
Monte Carlo simulation

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Electrochemistry
  • Physical and Theoretical Chemistry
  • Energy Engineering and Power Technology
  • Materials Chemistry

Cite this

Monte carlo simulation of a coulomb gas in simple cubic lattice. / Szabó, G.

In: Solid State Ionics, Vol. 28-30, No. PART 1, 1988, p. 86-88.

Research output: Contribution to journalArticle

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