Related papers: Liquid Polymorphism and Double Criticality in a La…
We reconsider model II of [J. Chem. Phys. 1968, 49, 1778--1783], a two-dimensional lattice-gas system featuring a crystalline phase and two distinct fluid phases (liquid and vapor). In this system, a particle prevents other particles from…
We use a lattice Boltzmann method to study pattern formation in chemically reactive binary fluids in the regime where hydrodynamic effects are important. The coupled equations solved by the method are a Cahn-Hilliard equation, modified by…
We present a numerical study of the dynamics of a non-ideal fluid subject to a density-dependent pseudo-potential characterized by a hierarchy of nested attractive and repulsive interactions. It is shown that above a critical threshold of…
The relation between liquid-liquid phase transitions and waterlike density anomalies in core-softened potentials of fluids was investigated in an exactly solvable one dimensional lattice model and a in a three dimensional fluid with…
We study lattice gas models with the imposition of a constraint on the maximum number of bonds (nearest neighbor interactions) that particles can participate in. The critical parameters, as well as the coexistence region are studied using…
Using event driven molecular dynamics simulations, we study a three dimensional one-component system of spherical particles interacting via a discontinuous potential combining a repulsive square soft core and an attractive square well. In…
In this paper we propose a continuum variational model for a two-dimensional deformable lattice of atoms interacting with a two-dimensional rigid lattice. The two lattices have slightly different lattice parameters and there is a small…
Hydrogen bonding is modeled in terms of virtual exchange of protons between water molecules. A simple lattice model is analyzed, using ideas and techniques from the theory of correlated electrons in metals. Reasonable parameters reproduce…
We develop a two-dimensional Lattice Boltzmann model for liquid-vapour systems with variable temperature. Our model is based on a single particle distribution function expanded with respect to the full-range Hermite polynomials. In order to…
We study the dynamics of the interface between two immiscible fluids in contact with a chemically homogeneous moving solid plate. We consider the generic case of two fluids with any viscosity ratio and of a plate moving in either directions…
We revisit the associating lattice gas~(ALG) introduced by Henriques \textit{et al.} [PRE 71, 031504 (2005)] in its symmetric version. In this model, defined on the triangular lattice, interaction between molecules occupying…
A two dimensional lattice gas model with ''core-softened'' potential is investigated. Two liquid phases and density anomaly are found. The demixing phase transition between the two liquid phases end at a tricritical point that is also the…
We investigate the relation between thermodynamic and dynamic properties of an associating lattice gas (ALG) model. The ALG combines a three dimensional lattice gas with particles interacting through a soft core potential and orientational…
Previous works for a liquid suddenly contacting a gas at a supercritical pressure show the coexistence of both phases and the generation of diffusion layers on both sides of the liquid-gas interface due to thermodynamic phase equilibrium. A…
Using molecular dynamics simulations, we study a liquid model which consists of particles interacting via a spherically-symmetric two-scale Jagla ramp potential with both repulsive and attractive ramps. The Jagla potential displays…
A constraint penalization method is introduced within the Lattice Boltzmann (LBM) framework to model fluid-structure interactions involving rigid bodies. The proposed approach extends the fictitious domain concept by enforcing the…
We propose a model for a two dimensional, associative water-like lattice gas with one single variable representing both long and short-range interactions. The corresponding hamiltonian was solved exactly, by state enumeration in a finite…
We introduce a lattice Boltzmann for simulating an immiscible binary fluid mixture. Our collision rules are derived from a macroscopic thermodynamic description of the fluid in a way motivated by the Cahn-Hilliard approach to…
Recently, maximal valence model has been proposed to model liquid-liquid phase transition induced by polymerization in sulfur. In this paper we present a simple generic model to describe liquid polyamorphism in single-component fluids using…
A new lattice Boltzmann method for simulating multiphase flows is developed theoretically. The method is adjusted such that its continuum limit is the Navier-Stokes equation, with a driving force derived from the Cahn-Hilliard free energy.…