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1.
Phys Rev E ; 104(2-1): 024124, 2021 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-34525668

RESUMO

We construct a density functional for the lattice gas or Ising model on square and cubic lattices based on lattice fundamental measure theory. To treat the nearest-neighbor attractions between the lattice gas particles, the model is mapped to a multicomponent model of hard particles with additional lattice polymers where effective attractions between particles arise from the depletion effect. The lattice polymers are further treated via the introduction of polymer clusters (labelled by the numbers of polymer they contain) such that the model becomes a multicomponent model of particles and polymer clusters with nonadditive hard interactions. The density functional for this nonadditive hard model is constructed with lattice fundamental measure theory. The resulting bulk phase diagram recovers the Bethe-Peierls approximation and planar interface tensions show a considerable improvement compared to the standard mean-field functional and are close to simulation results in three dimensions. We demonstrate the existence of planar interface solutions at chemical potentials away from coexistence when the equimolar interface position is constrained to arbitrary real values.

2.
Phys Rev E ; 104(3-1): 034127, 2021 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-34654142

RESUMO

A density functional for the lattice gas with next-neighbor attractions (Ising model) from fundamental measure theory is applied to the problem of droplet states in three-dimensional, finite systems. The density functional is constructed via an auxiliary model with hard lattice gas particles and lattice polymers to incorporate the attractions. Similar to previous simulation studies, the sequence of droplets changing to cylinders and to planar slabs is found upon increasing the average density ρ[over ¯] in the system. Owing to the discreteness of the lattice, additional effects in the state curve for the chemical potential µ(ρ[over ¯]) are seen upon lowering the temperature away from the critical temperature [oscillations in µ(ρ[over ¯]) in the slab portion and spiky undulations in µ(ρ[over ¯]) in the cylinder portion as well as an undulatory behavior of the radius of the surface of tension R_{s} in the droplet region]. This behavior in the cylinder and droplet region is related to washed-out layering transitions at the surface of liquid cylinders and droplets. The analysis of the large-radius behavior of the surface tension γ(R_{s}) gave a dominant contribution ∝1/R_{s}^{2}, although the consistency of γ(R_{s}) with the asymptotic behavior of the radius-dependent Tolman length seems to suggest a weak logarithmic contribution ∝lnR_{s}/R_{s}^{2} in γ(R_{s}). The coefficient of this logarithmic term is smaller than a universal value derived with field-theoretic methods.

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