Abstract:
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.
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Received 7 August 2002 / Received in final form 22 January 2003 Published online 24 April 2003
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Groda, Y., Argyrakis, P., Bokun, G. et al. SCDA for 3D lattice gases with repulsive interaction. Eur. Phys. J. B 32, 527–535 (2003). https://doi.org/10.1140/epjb/e2003-00118-3
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DOI: https://doi.org/10.1140/epjb/e2003-00118-3