相关论文: Numerical Solution of Hard-Core Mixtures

We study 2-dimensional binary mixtures of parallel squares as well as of disks. A recent cluster algorithm allows us to establish an entropic demixing transition between a homogeneously packed fluid phase and a demixed phase of a…

In this paper, we present a cluster algorithm for the numerical simulations of non-additive hard-core mixtures. This algorithm allows one to simulate and equilibrate systems with a number of particles two orders of magnitude larger than…

The phase diagram of a binary fluid mixture of highly asymmetric additive hard spheres is investigated. Demixing is analyzed from the exact low-density expansions of the thermodynamic properties of the mixture and compared with the…

The binodals and the non-ergodicity lines of a binary mixture of hard sphere-like particles with large size ratio are computed for studying the interplay between dynamic arrest and phase separation in depletion-driven colloidal mixtures.…

Phase diagrams of binary mixtures of oppositely charged colloids are calculated theoretically. The proposed mean-field-like formalism interpolates between the limits of a hard-sphere system at high temperatures and the colloidal crystals…

The phase behavior of binary fluid mixtures of hard hyperspheres in four and five dimensions is investigated. Spinodal instability is found by using a recent and accurate prescription for the equation of state of the mixture that requires…

In this paper, electron diffraction and optical methods are used together for the first time to study the problem of phase equilibrium in binary clusters of heavy rare gases. For the argon-xenon system, a new effect of its decay into pure…

We examine the fluid phase behaviour of the binary mixture of hard superellipses using the scaled particle theory The superellipse is a general two dimensional convex object which can be tuned between circular and rectangular shapes…

Since constraints hinder the application of numerical algorithms, phase diagrams of quantum dimer models are still controversial, even on the square lattice. The core controversy is whether the mixed state exists. In this article, we give…

We use a two-level simulation method to analyse the critical point associated with demixing of binary hard sphere mixtures. The method exploits an accurate coarse-grained model with two-body and three-body effective interactions. Using this…

A previously developed fundamental measure fucntional [J. Chem. Phys. vol.107, 6379 (1997)] is used to study the phase behavior of a system of parallel hard cubes. The single-component fluid exhibits a continuous transition to a solid with…

The influence of size differences, shape, mass and persistent motion on phase separation in binary mixtures has been intensively studied. Here we focus on the exclusive role of diffusivity differences in binary mixtures of equal-sized…

A theoretical model of shape-anisometric particles embedded in a cubic lattice is formulated for binary mixtures combining rod-like, plate-like and spherical particles. The model aims at providing a tool for the prediction and…

We provide an exact mapping between the density functional of a binary mixture and that of the effective one-component fluid in the limit of infinite asymmetry. The fluid of parallel hard cubes is thus mapped onto that of parallel adhesive…

We study by Monte Carlo simulation a binary mixture of neutral and dipolar hard-spheres with non-additive diameters. With a view to understanding the interplay between population inversion for an open pore and the demixing phase…

We use an extension of fundamental measure theory to lattice hard-core fluids to study the phase diagram of two different systems. First, two-dimensional parallel hard squares with edge-length $\sigma=2$ in a simple square lattice. This…

Obtaining a rigorous and reliable method for linking computer simulations of polymer blends and composites at different length scales of interest is a highly desirable goal in soft matter physics. In this paper a multiscale modeling…

A theoretical scheme for the calculation of the full phase diagram (including cloud and shadow curves, binodals and distribution functions of the coexisting phases) for colloid-polymer mixtures with polymer chain length polydispersity and…

Dual decomposition provides a tractable framework for designing algorithms for finding the most probable (MAP) configuration in graphical models. However, for many real-world inference problems, the typical decomposition has a large…

We present a scaled particle density functional study of two-dimensional binary mixtures of hard convex particles with one or both species being ellipses. In particular, we divide our study into two parts. The first part is devoted to the…