Cluster algorithm for nonadditive hard-core mixtures
نویسندگان
چکیده
منابع مشابه
Fundamental measure density functional theory for nonadditive hard-core mixtures: the one-dimensional case.
We treat a one-dimensional binary mixture of hard-core particles that possess nonadditive diameters. For this model, a density functional theory is constructed following similar principles as an earlier extension of Rosenfeld's fundamental measure theory to three-dimensional nonadditive hard-sphere mixtures. The theory applies to arbitrary positive and moderate negative nonadditivity and reduce...
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In a recent paper [Phys. Rev. E 76, 031202 (2007)], Schmidt proposed a fundamental measure density functional theory for one-dimensional nonadditive hard-rod fluid mixtures and compared its predictions for the bulk structural properties with Monte Carlo simulations. The aim of this Brief Report is to recall that the problem admits an exact solution in the bulk, which is briefly summarized in a ...
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It is shown that the formal procedure of integrating out the degrees of freedom of the small spheres in a binary hard-sphere mixture works equally well for nonadditive as it does for additive mixtures. For highly asymmetric mixtures (small size ratios) the resulting effective Hamiltonian of the one-component fluid of big spheres, which consists of an infinite number of many-body interactions, s...
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We calculate for the first time the full phase diagram of an asymmetric nonadditivehard-sphere mixture. The nonadditivity strongly affects the crystallization and the fluid-fluid phase separation. The global topology of the phase diagram is controlled by an effective size ratio y(eff), while the fluid-solid coexistence scales with the depth of the effective potential well.
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2005
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.1831274