منابع مشابه
Freezing line of the Lennard-Jones fluid: a phase switch Monte Carlo study.
We report a phase switch Monte Carlo (PSMC) method study of the freezing line of the Lennard-Jones (LJ) fluid. Our work generalizes to soft potentials the original application of the method to hard-sphere freezing and builds on a previous PSMC study of the LJ system by Errington [J. Chem. Phys. 120, 3130 (2004)]. The latter work is extended by tracing a large section of the Lennard-Jones freezi...
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We have established the solid-fluid coexistence region for a system of polydisperse hard spheres with near Gaussian diameter distributions, as a function of polydispersity. Our approach employs Monte Carlo simulation in the isobaric semigrand ensemble with a Gaussian activity distribution. Gibbs-Duhem integration is used to trace the coexistence pressure as a function of the variance of the imp...
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A model for two-dimensional colloids confined laterally by "structured boundaries" (i.e., ones that impose a periodicity along the slit) is studied by Monte Carlo simulations. When the distance D between the confining walls is reduced at constant particle number from an initial value D(0), for which a crystalline structure commensurate with the imposed periodicity fits, to smaller values, a suc...
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We propose a kinetic Ising model to study phase separation driven by surface diffusion. This model is referred to as Model S, and consists of the usual Kawasaki spin-exchange kinetics (Model B) in conjunction with a kinetic constraint. We use multispin coding techniques to develop fast algorithms for Monte Carlo simulations of Models B and S. We use these algorithms to study the late stages of ...
متن کاملDirect determination of liquid phase coexistence by Monte Carlo simulations.
A formalism to determine coexistence points by means of Monte Carlo simulations is presented. The general idea of the method is to perform a simulation simultaneously in several unconnected boxes which can exchange particles. At equilibrium, most of the boxes will be occupied by a homogeneous phase. The compositions of these boxes yield coexisting points on the binodal. However, since the overa...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2000
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.85.5138