Related papers: Multilayer Adsorption of Interacting Polyatomics o…
We study the equilibrium properties of a model for a binary mixture of catalytically-reactive monomers adsorbed on a two-dimensional substrate decorated by randomly placed catalytic bonds. The interacting $A$ and $B$ monomer species undergo…
The adsorption of polymer and surfactant molecules onto colloidal particles or droplets in solution can be characterized non-destructively by scattering techniques. In a first part, the general framework of Dynamic Light Scattering, Small…
Obtaining a rigorous and reliable method for linking computer simulations of polymer blends and composites at different length scales of interest is a highly desirable goal in soft matter physics. In this paper a multiscale modeling…
The structure of the double-layer formed at the surface of carbon electrodes is governed by the interactions between the electrode and the electrolyte species. However, carbon is notoriously difficult to simulate accurately, even with…
The wetting of solid surfaces by fluids is a problem of great practical importance that has been extensively studied over the years. Most often, the experimental work has involved measurements of the contact angle made by a liquid on the…
We present a thermodynamically consistent mesoscopic model of protein adsorption at liquid-solid interfaces. First describing the equilibrium state under varying protein concentration of the solution and binding conditions, we predict a…
We consider a minimal model to investigate the quantum phases of hardcore, polarized dipolar atoms confined in multilayer optical lattices. The model is a variant of the extended Bose-Hubbard model, which incorporates intralayer repulsion…
The effect of the adsorption of a polypeptide on the lateral interaction of dimyristoylphosphatidylserine molecules in different phase states on the surface of a 10\,mM KCl aqueous solution has been studied. Changes in the surface pressure…
Motivated by recent experimental studies of Hg and Pb monolayers on Cu(001) we introduce a zero temperature model of a monolayer adsorbed on a square substrate. Lennard-Jones potentials are used to describe the interaction between pairs of…
In this paper, a two-dimensional (2D) multiple-relaxation-time (MRT) lattice Boltzmann (LB) model is developed for simulating convection heat transfer in porous media at the representative elementary volume scale. In the model, a MRT-LB…
We have studied both experimentally and theoretically the surface pressure isotherms of copolymers of polystyrene-polyethyleneoxide (PS-PEO) at the air-water interface. The SCMF (single chain mean-field) theory provides a very good…
Lattice model of directed self avoiding walk is used to investigate adsorption properties of a semiflexible sequential copolymer chain on an impenetrable curved surface on a hexagonal lattice in two dimensions. Walks of the copolymer chains…
Ultracold Bose gases in one-dimensional optical lattices constitute an important benchmark problem in the study of strongly interacting many-body quantum phases. Here we present a combined experimental and theoretical study of their…
We use a simple generic model to study the desorption of atoms from a solid surface in contact with a liquid, by using a combination of Monte Carlo and molecular dynamics simulations. The behavior of the system depends on two parameters:…
Laser-induced electron diffraction is an evolving tabletop method, which aims to image ultrafast structural changes in gas-phase polyatomic molecules with sub-{\AA}ngstr\"om spatial and femtosecond temporal resolution. Here, we provide the…
We develop a simple and reliable analytical model that allows describing the electromagnetic response of all-dielectric metasurfaces consisting of a single-layer array of high-permittivity spherical particles. By combining Mie theory with a…
Introduced is a lattice-gas with long-range 2-body interactions. An effective inter-particle force is mediated by momentum exchanges. There exists the possibility of having both attractive and repulsive interactions using finite impact…
We discuss regular particle arrays as nanostructured front layers for 3rd generation photovoltaic devices. A rigorous plane-wave method is used to investigate multi-type particle layers combining different radii and configurations. The…
We present a lattice Monte Carlo algorithm based on the one originally proposed by Maggs and Rossetto for simulating electrostatic interactions in inhomogeneous dielectric media. The original algorithm is known to produce attractive…
In this paper, a multiple-relaxation-time (MRT) lattice Boltzmann (LB) model is proposed for convection heat transfer in porous media under local thermal non-equilibrium (LTNE) condition. The model is constructed within the framework of the…