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We consider a system of spherical particles interacting by means of a pair potential equal to a finite constant for interparticle distances smaller than the sphere diameter and zero outside. The model may be a prototype for the interaction…
We present a full hydrodynamical investigation of a system of self-contained, interacting gas `cloudlets'. Calculations are performed using SPH, and cloudlets are allowed to collide, dissipate kinetic energy, merge and undergo local…
Atmospheric aerosols can consist of inorganic and organic substances, including surfactants at a significant concentration. Importantly, the latter can reduce the surface tension at the liquid-vapor surfaces, where they preferentially…
We study the formation and evolution of several molecules in a collapsing interstellar cloud using a reasonably large reaction network containing more then four hundred atomic and molecular species. We employ a time dependent, spherically…
We formulate theoretical modeling approaches and develop practical computational simulation methods for investigating the non-equilibrium statistical mechanics of fluid interfaces with passive and active immersed particles. Our approaches…
We propose a model kinetic system of the hydrogen atom (two levels plus continuum) under the conditions typical for atmospheres of Type IIP supernovae in the plateau stage. Despite the simplicity of this system, it describes realistically…
We study swelling and structural properties of ionic microgel suspensions within a comprehensive coarse-grained model that combines the polymeric and colloidal natures of microgels as permeable, compressible, charged spheres governed by…
We apply a simple dynamical density functional theory, the phase-field-crystal (PFC) model, to describe homogeneous and heterogeneous crystal nucleation in 2d monodisperse colloidal systems and crystal nucleation in highly compressed Fe…
A simple model of a trapped ion cloud cooled by collisions in a buffer gas in a Paul trap is presented. It is based on the customary decomposition of the ion motion in micro- and macro- (or secular) motions and a statistical treatment of…
Confinement can have a considerable effect on the behavior of particle systems, and is therefore an effective way to discover new phenomena. A notable example is a system of identical bosons at low temperature under an external field…
The hydrodynamic equation governing the homogeneous time evolution of the temperature in a model of confined granular gas is studied by means of the Enskog equation. The existence of a normal solution of the kinetic equation is assumed as a…
Induction time, a measure of how long one will wait for nucleation to occur, is an important parameter in quantifying nucleation kinetics and its underlying mechanisms. Due to the stochastic nature of nucleation, efficient methods for…
The freeze-thaw cycling of particle-stabilised emulsions can alter the emulsion structure and stability. This could have significant consequences for using particle stabilisation in industrial applications where increased stability is…
When a droplet containing a concentrated suspension evaporates in a dry environment, a layer often forms at the interface accumulating non-volatile material. Such a "skin layer" experiences strong stresses and eventually turns mechanically…
Despite the importance of ice nucleation, this process has been barely explored at negative pressures. Here, we study homogeneous ice nucleation in stretched water by means of Molecular Dynamics Seeding simulations using the TIP4P/Ice…
We present a partial free energy profile for the homogeneous nucleation of ice using an all-atom model of water at low supercooling, at which ice growth dynamics are reasonably accessible to simulation. We demonstrate that the free energy…
Using molecular dynamics simulations we study the slow dynamics of a hard sphere fluid confined in a disordered porous matrix. The presence of both discontinuous and continuous glass transitions as well as the complex interplay between…
Quantum kinetically constrained models can exhibit a wealth of dynamical phenomena ranging from anomalous transport to Hilbert-space fragmentation (HSF). We study a class of one-dimensional particle number conserving systems where particle…
In seasonally ice-covered seas and along the margins of perennial ice pack, i.e. in regions with medium ice concentrations, the ice cover typically consists of separate floes interacting with each other by inelastic collisions. In this…
An equilibrated model glass-forming liquid is studied by mapping successive configurations produced by molecular dynamics simulation onto a time series of inherent structures (local minima in the potential energy). Using this ``inherent…