Related papers: Lattice Model for water-solute mixtures
We modeled the change in the temperature of maximum density (TMD) of a water-like solvent when small amounts of solute are added to the mixture. The solvent is modeled as a two length scales potential, which is known to exhibit water-like…
A general method is presented for modeling high entropy alloys as ensembles of randomly sampled, ordered configurations on a given lattice. Statistical mechanics is applied post hoc to derive the ensemble properties as a function of…
The qualitative solvent- and temperature-dependent conformational behavior of a peptide in the proximity of solid substrates with different adsorption properties is investigated by means of a simple lattice model. The resulting pseudophase…
This document reports investigations of models of multiphase flows using Lattice Boltzmann methods. The emphasis is on deriving by Chapman-Enskog techniques the corresponding macroscopic equations. The singular interface…
We propose numerical simulations of viscoelastic fluids based on a hybrid algorithm combining Lattice-Boltzmann models (LBM) and Finite Differences (FD) schemes, the former used to model the macroscopic hydrodynamic equations, and the…
The birth of the lattice Boltzmann method (LBM) fulfils a dream that simple arithmetic calculations can simulate complex fluid flows without solving complicated partial differential flow equations. Its power and potential of resolving more…
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…
Using a hydrodynamic lattice-gas model, we study interface growth in a binary fluid with various concentrations of surfactant. We find that the interface is smoothed by small concentrations of surfactant, while microemulsion droplets form…
The interacting lattice gas model is used to simulate fluid flow through an open percolating porous medium with the fluid entering at the source-end and leaving from the opposite end. The shape of the steady-state concentration profile and…
The behavior of fluids in the vicinity of the liquid-gas critical point is studied within the cell fluid model framework. The analytic method for deriving the equation of state of a cell fluid model in the low-temperature region (T<Tc) is…
Recent studies of the hydration of micro- and nanoscale solutes have demonstrated a strong {\it coupling} between hydrophobic, dispersion and electrostatic contributions, a fact not accounted for in current implicit solvent models. We…
This paper presents a new method for modeling the mechanics of the aortic valve, and simulates its interaction with blood. As much as possible, the model construction is based on first principles, but such that the model is consistent with…
In simulations of a water-like model (ST2) that exhibits a liquid-liquid phase transition, we test for the occurrence of a thermodynamic region in which the liquid can be modelled as a two-component mixture. We assign each molecule to one…
We address the investigation of the solvation properties of the minimal orientational model for water, originally proposed by Bell and Lavis. The model presents two liquid phases separated by a critical line. The difference between the two…
Active matter has been widely studied in recent years because of its rich phenomenology, whose mathematical understanding is still partial. We present some results, based on [8, 17] linking microscopic lattice gases to their macroscopic…
The past two decades showed a rapid growing of physically-based modeling of fluids for computer graphics applications. In this area, a common top down approach is to model the fluid dynamics by Navier-Stokes equations and apply a numerical…
Collective behaviour in suspensions of microswimmers is often dominated by the impact of long-ranged hydrodynamic interactions. These phenomena include active turbulence, where suspensions of pusher bacteria at sufficient densities exhibit…
The lattice system with competing interactions that models biological objects (colloids, ensembles of protein molecules, etc.) is considered. This system is the lattice fluid on a square lattice with attractive interaction between nearest…
We consider a simple model consisting of particles with four bonding sites ("patches"), two of type A and two of type B, on the square lattice, and investigate its global phase behavior by simulations and theory. We set the interaction…
We describe a simple nearest-neighbor Ising model that is capable of supporting a gas, liquid, crystal, in characteristic relationship to each other. As the parameters of the model are varied one obtains characteristic patterns of phase…