Modification of the exact finite method for boundary tension calculations on a hard sphere lattice gas

摘要: The exact finite method, developed largely by Runnels, is modified so that calculations can be made of the properties a single phase in equilibrium with other phases. modification also allows calculation some boundary properties. Application method to hard sphere lattice gas on triangular first and second nearest neighbor exclusions. results this paper are general agreement earlier work same model: ρ/ρ0=0.78±0.01 0.69±0.01; lnzt = 1.715±0.02; Pt/kT =0.475±0.004. Two boundaries investigated, surface between two crystalline phases different order, free surface. Boundary tensions excess densities indicate model has more complicated structures than those found another (square lattice‐nearest exclusions).