University of Sussex
Browse
PhysRevE.49.513.pdf (347.54 kB)

Pair-correlation function in 2-dimensional lattice gases

Download (347.54 kB)
journal contribution
posted on 2023-06-08, 18:28 authored by Enrico Scalas, R Ferrando
The pair-correlation function in two-dimensional lattice gases is computed by means of three discretized classical equations for the structure of liquids: the hypernetted-chain, the Percus-Yevick, and the crossover integral equations. The equations are numerically solved by an iteration procedure. Two different systems are considered: the Ising-Peierls lattice gas with nearest-neighbor interactions and a model for O adsorbed on the W(110) surface, in which interactions up to the fourth neighbors are taken into account. The values of the pair-correlation function for nearest, next-nearest, and next-next-nearest neighbors are compared with the results of Monte Carlo simulations at four different coverages T (T=1/8, 1) / 4 ,1/2,3/4) as functions of the lateral coupling. It turns out that the crossover integral equation gives the best agreement with Monte Carlo data in both systems, being accurate especially at low T, whereas the Percus-Yevick equation fails in a wide range of parameters.

History

Publication status

  • Published

File Version

  • Published version

Journal

Physical Review E

ISSN

1539-3755

Publisher

American Physical Society

Volume

49

Page range

513-520

Department affiliated with

  • Mathematics Publications

Full text available

  • Yes

Peer reviewed?

  • Yes

Legacy Posted Date

2014-10-03

First Open Access (FOA) Date

2014-10-03

First Compliant Deposit (FCD) Date

2014-10-03

Usage metrics

    University of Sussex (Publications)

    Categories

    No categories selected

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC