相关论文: A polydisperse lattice-gas model
The phase behaviour of the Lebwohl-Lasher lattice gas model (one of the simplest representations of a nematogenic fluid) confined in a slab is investigated by means of extensive Monte Carlo simulations. The model is known to yield a first…
Multiphase gas -- ranging from cold molecular clouds ($\lesssim 100\,$K) to hot, diffuse plasma ($\gtrsim 10^6\,$K) is a defining feature of the interstellar, circumgalactic, intracluster, and intergalactic media. Accurately simulating its…
We use the classical version of the density-functional theory in the weighted-density approximation to build up the entire phase diagram and the interface structure of a two-dimensional lattice-gas model which is known, from previous…
A one-dimensional, driven lattice gas with a freely moving, driven defect particle is studied. Although the dynamics of the defect are simply biased diffusion, it disrupts the local density of the gas, creating nontrivial nonequilibrium…
We present an axisymmetric lattice Boltzmann model based on the Kupershtokh et al. multiphase model that is capable of solving liquid-gas density ratios up to $10^3$. Appropriate source terms are added to the lattice Boltzmann evolution…
We introduce a simplified technique for incorporating diffusive phenomena into lattice-gas molecular dynamics models. In this method, spatial interactions take place one dimension at a time, with a separate fractional timestep devoted to…
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…
In this work, a thermodynamically consistent and conservative diffuse-interface model for gas-liquid-solid multiphase flows is proposed. In this model, a novel free energy for the gas-liquid-solid multiphase flows is established according…
We analyze motility-induced phase separation and bubbly phase separation in a two-dimensional lattice model of self-propelled particles. We compare systems where the dense (liquid) phase has slab and droplet geometries. We find that…
Successful computer studies of glass-forming materials need to overcome both the natural tendency to structural ordering and the dramatic increase of relaxation times at low temperatures. We present a comprehensive analysis of eleven…
The Bell-Lavis model for liquid water is investigated through numerical simulations. The lattice-gas model on a triangular lattice presents orientational states and is known to present a highly bonded low density phase and a loosely bonded…
Aligning self-propelled particles undergo a nonequilibrium flocking transition from apolar to polar phases as their interactions become stronger. We propose a thermodynamically consistent lattice model, in which the internal state of the…
We consider a lattice gas model which in addition to the canonical nearest neighbor pair interatomic interaction accounts for a many-body interaction inside atomic trios. Interactions of this kind arise in the coherent strained epitaxy and…
A simulation model is presented, comprising elastic spheres with a short range attraction. Besides conservative forces, radial- and shear friction, and radial noise are added. The model can be used to simulate colloids, granular solids and…
The Lorentz gas is one of the simplest, most widely used models to study the transport properties of rarified gases in matter. It describes the dynamics of a cloud of non-interacting point particles in an infinite array of fixed spherical…
We present the phase diagram of a far from equilibrium system, mapped by Monte Carlo simulation. The model is a lattice gas of two species of particles and holes. The two species are biased to hop in opposite directions and interact via…
Polydisperse gas-solid flows, which is notoriously difficult to model due to the complex gas-particle and particle-particle interactions, are widely encountered in industry. In this article, a refined kinetic theory for polydisperse flow is…
In this presentation we overview some recent results on biased tracer diffusion in lattice gases. We consider both models in which the gas particles density is explicitly conserved and situations in which the lattice gas particles undergo…
We study the theoretical phase behavior of an asymmetric binary mixture of hard spheres, of which the smaller component is monodisperse and the larger component is polydisperse. The interactions are modeled in terms of the second virial…
We study the phase behaviour of hard rods with length polydispersity, treated within a simplified version of the Onsager model. We give a detailed description of the unusual phase behaviour of the system when the rod length distribution has…