Related papers: Hydrodynamics in kinetically-constrained lattice-g…
In order to increase the efficiency of the computer simulation of biological molecules, it is very common to impose holonomic constraints on the fastest degrees of freedom; normally bond lengths, but also possibly bond angles. However, as…
Through Monte Carlo simulations and the Associating Lattice Gas Model, the phases of a two-dimensional fluid under hydrophilic confinement are evaluated. The model, in its unconfined version, reproduces the anomalous behavior of water…
Kob and Andersen's simple lattice models for the dynamics of structural glasses are analyzed. Although the particles have only hard core interactions, the imposed constraint that they cannot move if surrounded by too many others causes slow…
The hydrodynamic equations for a model of a confined quasi-two-dimensional gas of smooth inelastic hard spheres are derived from the Boltzmann equation for the model, using a generalization of the Chapman-Enskog method. The heat and…
We analyze the properties of a Lennard-Jones system at the level of the potential energy landscape. After an exhaustive investigation of the topological features of the landscape of the systems, obtained studying small size sample, we…
The lattice dynamics of coesite has been studied by a combination of diffuse x-ray scattering, inelastic x-ray scattering and an ab initio lattice dynamics calculation. The combined technique gives access to the full lattice dynamics in…
Nonequilibrium steady states in driven diffusive systems exhibit many features which are surprising or counterintuitive, given our experience with equilibrium systems. We introduce the prototype model and review its unusual behavior in…
A new kinetic theory Boltzmann-like collision term including correlations is proposed. In equilibrium it yields the one-particle distribution function in the form of a generalised-Lorentzian resembling but not being identical with the…
We show how to employ thermal lattice gas models to describe non-equilibrium phenomena. This is achieved by relaxing the restrictions of the usual micro-canonical ensemble for these models via the introduction of thermal ``demons'' in the…
We propose to use spin hydrodynamics, a two-fluid model of spin propagation, as a generalization of the diffusion equation. We show that in the dense limit spin hydrodynamics reduces to Fick's law and the diffusion equation. In the opposite…
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…
How physical systems approach hydrodynamic behavior is governed by the decay of nonhydrodynamic modes. Here, we start from a relativistic kinetic theory that encodes relaxation mechanisms governed by different timescales thus sharing…
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…
Extending the famous Model B for the time evolution of a liquid mixture, we derive an approximate expression for the mobility matrix that couples the different mixture components. This approach is based on a single component fluid with…
We investigate the relation between thermodynamic and dynamic properties of an associating lattice gas (ALG) model. The ALG combines a two dimensional lattice gas with particles interacting through a soft core potential and orientational…
Conventional phase-field models often drive solid-solid interfaces to coalesce when in close proximity. This feature limits their use for processes like diffusion bonding, where the interfaces might need to remain distinct under certain…
We develop a lattice gas model for the nonequilibrium dynamics of microemulsions. Our model is based on the immiscible lattice gas of Rothman and Keller, which we reformulate using a microscopic, particulate description so as to permit…
In this paper we introduce a modified lattice Boltzmann model (LBM) with the capability of mimicking a fluid system with dynamic heterogeneities. The physical system is modeled as a one-dimensional fluid, interacting with finite-lifetime…
Using an analytically tractable lattice model for reaction-diffusion processes of hard-core particles we demonstrate that under nonequilibrium conditions phase coexistence may arise even if the system is effectively one-dimensional as e.g.…
Employing the lattice gas model, combined with the linear elasticity theory, a correlation between the equilibrium and transport properties of intercalated species is investigated. It is shown that the major features of the intercalation…