Related papers: Simple one-dimensional lattice model for lipids in…
In this paper, a lattice Boltzmann equation (LBE) model is proposed for binary fluids based on a quasi-incompressible phase-field model [J. Shen et al, Comm. Comp. Phys. 13, 1045 (2013)]. Compared with the other incompressible LBE models…
We introduce a lattice model of dimers with directional interactions as a paradigm of molecular fluids or strongly correlated Cooper pairs in electronic systems. The model supports an intermediate phase that is common to both systems. There…
Magnetic fluids are colloidal suspensions of ferromagnetic particles covered with a surfactant layer, dispersed in a host liquid. The existence of cooperative phenomena in such magnetic colloidal systems, makes the determining of their…
Implicit solvent, coarse-grained models with pairwise interactions can access the largest length and time scales in molecular dynamics simulations, owing to the absence of interactions with a huge number of solvent particles, the smaller…
In contrast to the commonly used lattice Boltzmann method, off-lattice Boltzmann methods decouple the velocity discretization from the underlying spatial grid, thus allowing for more efficient geometric representations of complex…
We use a simple and efficient computer model to investigate the physical properties of bilayer membranes. The amphiphilic molecules are modeled as short rigid trimers with finite range pair interactions between them. The pair potentials…
We propose a model to study symmetric binary fluids, based in the mesoscopic molecular simulation technique known as multiparticle collision, where space and state variables are continuous while time is discrete. We include a repulsion rule…
We present a recently developed one-dimensional dipole lattice model that accurately captures the key properties of water in narrow nanopores. For this model, we derive three equivalent representations of the Hamiltonian that together yield…
We describe a simple coarse-grained model which is suited to study lipid layers and their phase transitions. Lipids are modeled by short semiflexible chains of beads with a solvophilic head and a solvophobic tail component. They are forced…
Computationally, low-resolution coarse-grained models provide the most viable means for simulating the large length and time scales associated with mesoscopic phenomena. Moreover, since lyotropic phases in solution may contain high solvent…
A multicomponent extension of our recent theory of simple fluids [ U.M.B. Marconi and S. Melchionna, Journal of Chemical Physics, 131, 014105 (2009) ] is proposed to describe miscible and immiscible liquid mixtures under inhomogeneous, non…
Using the combinatorics of two interpenetrating face centered cubic lattices together with the part of calculus naturally encoded in combinatorial topology, we construct from first principles a lattice model of 3D incompressible…
The self-assembly of monoacyl lipids in solution is studied employing a model in which the lipid's hydrocarbon tail is described within the Rotational Isomeric State framework and is attached to a simple hydrophilic head. Mean-field theory…
We introduce a novel mesoscopic computational model based on a multiphase-multicomponent lattice Boltzmann method for the simulation of self-phoretic particles in the presence of liquid-liquid interfaces. Our model features fully resolved…
The explicit relations between the thermodynamic functions of the Lattice Gas model and the fluid within the framework of approach proposed earlier in [V. L. Kulinskii, J. Phys. Chem. B \textbf{114} 2852 (2010)] are derived. It is shown…
A simple d-dimensional lattice model is proposed, incorporating some degree of frustration and thus capable of describing some aspects of molecular orientation in covalently bound molecular solids. For d=2 the model is shown to be…
A two-components isospin lattice gas model has been employed to study the liquid-gas phase transition for asymmetric nuclear matter. An additional degree of freedom, namely, the asymmetry parameter alpha has been considered carefully for…
A microscopic model which has proven useful in describing amphiphilic aggregates as inhomogeneities of a fluid is extended here to study the case of a two component surfactant mixture. We have chosen an effective interaction between the…
We develop a lattice-based Monte Carlo simulation method for charged mixtures capable of treating dielectric heterogeneities. Using this method, we study oil-water mixtures containing an antagonistic salt, with hydrophilic cations and…
We propose a model describing the phase behavior of two-component membranes consisting of binary mixtures of electrically charged and neutral lipids. We take into account the structural phase transition (main-transition) of the hydrocarbon…