Related papers: SCOZA for Monolayer Films
An Ornstein-Zernike approximation for the two-body correlation function embodying thermodynamic consistency is applied to a system of classical Heisenberg spins on a three-dimensional lattice. The consistency condition determined in a…
Thermodynamic consistency of the Mean Spherical Approximation as well as the Self-Consistent Ornstein-Zernike Approximation (SCOZA) with the virial route to thermodynamics is analyzed in terms of renormalized gamma-ordering. For continuum…
In an effort to generalize the self-consistent Ornstein-Zernike approximation (SCOZA) -- an accurate liquid-state theory that has been restricted so far to hard-core systems -- to arbitrary soft-core systems we study a combination of SCOZA…
The Hierarchical Reference Theory (HRT) and the Self-Consistent Ornstein-Zernike Approximation (SCOZA) are two liquid state theories that both furnish a largely satisfactory description of the critical region as well as phase separation and…
A thermodynamically self-consistent Ornstein-Zernike approximation (SCOZA) is applied to a fluid of spherical particles with a pair potential given by a hard-core repulsion and a Yukawa attractive tail $w(r)=-\exp [-z(r-1)]/r$. This…
The mean spherical approximation (MSA) can be solved semi-analytically for the Gaussian core model (GCM) and yields - rather surprisingly - exactly the same expressions for the energy and the virial equations. Taking advantage of this…
We extend the self-consistent Ornstein-Zernike approximation (SCOZA), first formulated in the context of liquid-state theory, to the study of the random field Ising model. Within the replica formalism, we treat the quenched random field as…
We present a study of the self consistent Ornstein-Zernike approximation (SCOZA) for square-well (SW) potentials of narrow width delta. The main purpose of this investigation is to elucidate whether in the limit delta --> 0, the SCOZA…
We propose a novel approach to the numerical simulation of thin film flows, based on the lattice Boltzmann method. We outline the basic features of the method, show in which limits the expected thin film equations are recovered and perform…
We study a model for an argon-like fluid parameterised in terms of a hard-core repulsion and a two-Yukawa potential. The liquid-gas phase behaviour of the model is obtained from the thermodynamically self-consistent Ornstein-Zernike…
We study the phase transition of thin films in the three-dimensional XY universality class. To this end, we perform a Monte Carlo study of the improved two-component \phi^4 model, the improved dynamically diluted XY model and the standard…
We propose a self-consistent Ornstein-Zernike approximation for studying the Edwards-Anderson spin glass model. By performing two Legendre transforms in replica space, we introduce a Gibbs free energy depending on both the magnetizations…
A first-principle multiscale modeling approach is presented, which is derived from the solution of the Ornstein-Zernike equation for the coarse-grained representation of polymer liquids. The approach is analytical, and for this reason is…
We use density functional theory and Monte Carlo lattice simulations to investigate the structure of ZrO$_{2}$ monolayers on Si(001). Recently, we have reported on the experimental growth of amorphous ZrO$_{2}$ monolayers on silicon and…
A quasi-two-dimensional system of hard spheres strongly confined between two parallel plates is considered. The attention is focussed on the macroscopic self-diffusion process observed when the system is looked from above or from below. The…
The Boltzmann kinetic theory for a model of a confined quasi-two dimensional granular mixture derived previously [Garz\'o, Brito and Soto, Phys. Fluids \textbf{33}, 023310 (2021)] is considered further to analyze two different problems.…
Novel photoelectrocatalysts that use sunlight to power the CO$_2$ reduction reaction will be crucial for carbon-neutral power and energy-efficient industrial processes. Scalable photoelectrocatalysts must satisfy a stringent set of…
We study the finite size scaling behaviour of the specific heat of thin films in the neighbourhood of the lambda-transition. To this end we have simulated the improved two-component phi^4 model on the simple cubic lattice. We employ free…
The hydrodynamics of thin films is typically described using phenomenological models whose connection to the microscopic particle dynamics is a subject of ongoing research. Existing methods based on density functional theory provide a good…
We study numerically the effect of thermal fluctuations and of variable fluid-substrate interactions on the spontaneous dewetting of thin liquid films. To this aim, we use a recently developed lattice Boltzmann method for thin liquid film…