https://doi.org/10.1140/epjb/e2003-00118-3
SCDA for 3D lattice gases with repulsive interaction
1
Belarussian State Technological University,
13a Sverdlova Str., Minsk 220 050, Belarus
2
Department of Physics, University of Thessaloniki, 54006
Thessaloniki, Greece
Corresponding author: a vvikhre@mail.ru
Received:
7
August
2002
Revised:
22
January
2003
Published online:
24
April
2003
The selfconsistent diagram approximation (SCDA) is generalized for three-dimensional lattice gases with nearest neighbor repulsive interactions. The free energy is represented in a closed form through elementary functions. Thermodynamical (phase diagrams, chemical potential and mean square fluctuations), structural (order parameter, distribution functions) as well as diffusional characteristics are investigated. The calculation results are compared with the Monte Carlo simulation data to demonstrate high precision of the SCDA in reproducing the equilibrium lattice gas characteristics. It is shown that similarly to two-dimensional systems the specific statistical memory effects strongly influence the lattice gas diffusion in the ordered states.
PACS: 05.50.+q – Lattice theory and statistics (Ising, Potts, etc.) / 05.60.-k – Transport processes / 05.70.Ce – Thermodynamic functions and equations of state
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2003