Monte Carlo simulations on the structural change of hard sphere-platelet mixtures were performed to investigate the effect of particle size. We quantitatively analyzed local equilibrium structures of sphere-platelet mixtures with varying size ratios under various sphere and platelet density conditions. Based on the simulation results, we investigated the structural transitions such as isotropic to anisotropic, clustering, and so on. When a small amount of small-sized sphere is added to a large-sized platelet system, the mixture structure transitions from isotropic to nematic ones as the platelet number density increases. On the other hand, the platelet forms clusters with the addition of a large number of spheres. In a small platelet-large sphere system, the spheres form aggregates by increasing platelet density instead. The platelet and spherical particles exhibit different structural transitions depending on the size and density. In the limit of small and large size ratios, the structures of the platelet-sphere mixture obtained from the Monte Carlo simulation are close to those shown by previous theoretical and experimental studies, respectively. Because the primary actor shifts from sphere to platelet as the size ratio changes, the transition boundary shifts continuously. When the size ratio is close to unity, the most complicated behavior is observed, with both the platelet and sphere simultaneously acting the leading part.
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http://dx.doi.org/10.1103/PhysRevE.105.044602 | DOI Listing |
Phys Rev E
April 2022
Japan Nuclear Fuel Limited, 504-22 Nozuki, Obuchi, Rokkasho, Aomori 039-3212, Japan.
Monte Carlo simulations on the structural change of hard sphere-platelet mixtures were performed to investigate the effect of particle size. We quantitatively analyzed local equilibrium structures of sphere-platelet mixtures with varying size ratios under various sphere and platelet density conditions. Based on the simulation results, we investigated the structural transitions such as isotropic to anisotropic, clustering, and so on.
View Article and Find Full Text PDFPhys Rev E Stat Nonlin Soft Matter Phys
January 2006
Institut für Theoretische Physik II, Heinrich-Heine-Universität Düsseldorf, Universitätsstrasse 1, D-40225 Düsseldorf, Germany.
A geometry-based density-functional theory is presented for mixtures of hard spheres, hard needles, and hard platelets; both the needles and platelets are taken to be of vanishing thickness. Geometrical weight functions that are characteristic for each species are given, and it is shown how convolutions of pairs of weight functions recover each Mayer bond of the ternary mixture and hence ensure the correct second virial expansion of the excess free-energy functional. The case of sphere-platelet overlap relies on the same approximation as does Rosenfeld's functional for strictly two-dimensional hard disks.
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