Microphase versus macrophase separation in the square-well-linear fluid: A theoretical and computational study

Costa, Dino; Munaò, Gianmarco; Bomont, Jean-Marc; Malescio, Gianpietro; Palatella, Amedeo; Prestipino, Santi

doi:10.1103/physreve.108.034602

Cited by 4 publications

(1 citation statement)

References 72 publications

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“…Only recently, several models for inhomogeneous binary mixtures were introduced and studied using theory and simulations. 36–42 As far as we know, experimental studies of self-assembly induced by the electrostatic and Casimir potentials were restricted to particles of the same type. 43–45 As a result, fundamental questions such as the symmetries of the ordered phases and the sequence of patterns for varying chemical potentials and temperature in mixtures with competing interactions remain open.…”

Section: Introductionmentioning

confidence: 99%

Spontaneous pattern formation in monolayers of binary mixtures with competing interactions

Patsahan,

Meyra,

Ciach

2024

Soft Matter

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Section: Introductionmentioning

confidence: 99%

Spontaneous pattern formation in monolayers of binary mixtures with competing interactions

Patsahan,

Meyra,

Ciach

2024

Soft Matter

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A density functional theory and simulation study of stripe phases in symmetric colloidal mixtures

Prestipino,

Pini,

Costa

et al. 2023

The Journal of Chemical Physics

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In a binary mixture, stripes refer to a one-dimensional periodicity of the composition, namely, a regular alternation of layers filled with particles of mostly one species. We have recently introduced [Munaò et al., Phys. Chem. Chem. Phys. 25, 16227 (2023)] a model that possibly provides the simplest binary mixture endowed with stripe order. The model consists of two species of identical hard spheres with equal concentration, which mutually interact through a square-well potential. In that paper, we have numerically shown that stripes are present in both liquid and solid phases when the attraction range is rather long. Here, we study the phase behavior of the model in terms of a density functional theory capable to account for the existence of stripes in the dense mixture. Our theory is accurate in reproducing the phases of the model, at least insofar as the composition inhomogeneities occur on length scales quite larger than the particle size. Then, using Monte Carlo simulations, we prove the existence of solid stripes even when the square well is much thinner than the particle diameter, making our model more similar to a real colloidal mixture. Finally, when the width of the attractive well is equal to the particle diameter, we observe a different and more complex form of compositional order in the solid, where each species of particle forms a regular porous matrix holding in its holes the other species, witnessing a surprising variety of emergent behaviors for a very basic model of interaction.

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Arrested states in colloidal fluids with competing interactions: A static replica study

Bomont,

Pastore,

Costa

et al. 2024

The Journal of Chemical Physics

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We present the first systematic application of the integral equation implementation of the replica method to the study of arrested states in fluids with microscopic competing interactions (short-range attractive and long-range repulsive, SALR), as exemplified by the prototype Lennard-Jones–Yukawa model. Using a wide set of potential parameters, we provide as many as 11 different phase diagrams on the density (ρ)–temperature (T) plane, embodying both the cluster-phase boundary, TC(ρ), and the locus below which arrest takes place, TD(ρ). We describe how the interplay between TC and TD—with the former falling on top of the other, or the other way around, depending on thermodynamic conditions and potential parameters—gives rise to a rich variety of non-ergodic states interspersed with ergodic ones, of which both the building blocks are clusters or single particles. In a few cases, we find that the TD locus does not extend all over the density range subtended by the TC envelope; under these conditions, the λ-line is within reach of the cluster fluid, with the ensuing possibility to develop ordered microphases. Whenever a comparison is possible, our predictions favorably agree with previous numerical results. Thereby, we demonstrate the reliability and effectiveness of our scheme to provide a unified theoretical framework for the study of arrested states in SALR fluids, irrespective of their nature.

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Microphase versus macrophase separation in the square-well-linear fluid: A theoretical and computational study

Cited by 4 publications

References 72 publications

Spontaneous pattern formation in monolayers of binary mixtures with competing interactions

Spontaneous pattern formation in monolayers of binary mixtures with competing interactions

A density functional theory and simulation study of stripe phases in symmetric colloidal mixtures

Arrested states in colloidal fluids with competing interactions: A static replica study

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