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We investigate the properties of membranes under tension by Monte-Carlo simulations of a generic coarse-grained model for lipid bilayers. We give a comprising overview of the behavior of several membrane characteristics, such as the area…
Clathrate hydrate is a naturally occurring ice-like solid which forms in water phase under suitable temperature and pressure conditions, in the presence of one or more hydrophobic molecules. It also forms inside the oil and gas pipes…
We investigate the three-phase coexistence line of ethane (C$_2$H$_6$) hydrate through molecular dynamics simulations using the direct coexistence approach. In this framework, C$_2$H$_6$ sI hydrate, aqueous, and pure guest phases are…
Moist stratified turbulence is studied in a two-dimensional Boussinesq system influenced by condensation and evaporation. The problem is set in a periodic domain and employs simple evaporation and condensation schemes, wherein both the…
In this paper we consider the evolution of two fluid phases in a porous medium. The fluids are separated from each other and also the wetting phase from air by interfaces which evolve in time. We reduce the problem to an abstract evolution…
In preparation for an experimental study of magnetorotational instability (MRI) in liquid metal, we present non-ideal two-dimensional magnetohydrodynamic simulations of the nonlinear evolution of MRI in the experimental geometry. The…
We study a two-dimensional fluid of dipolar hard disks by Monte Carlo simulations in a square with periodic boundary conditions and on the surface of a sphere. The theory of the dielectric constant and the asymptotic behaviour of the…
In this article, the stability of a complex plasma monolayer levitating in the sheath of the poweredelectrode of an asymmetric capacitively coupled radio-frequency argon discharge is studied. Com-pared to earlier studies, a better…
We investigate the first layer of helium adsorbed on graphite with path-integral Monte Carlo, examining the role of substrate corrugations on the phase diagram. When no corrugations are present, the equilibrium state of the system is a…
Wetting and drying of a rigid substrate by a Lennard-Jones fluid in molecular dynamics simulations is reported. The size of the substrate particles, being smaller than the fluid particles in former simulations, is now taken to be equal to,…
This work is devoted to the theoretical study of the stability of two superposed horizontal liquid layers bounded by two solid planes and subjected to a horizontal temperature gradient. The liquids are supposed to be immiscible with a…
The geological storage of hydrogen (H_2) requires reliable long-term caprock sealing, yet the nanoscale interactions between H_2 and clay minerals remain critically underexplored despite their importance for storage security. This lack of…
We prove local well-posedness for the Muskat problem on the half-plane, which models motion of an interface between two fluids of distinct densities (e.g., oil and water) in a porous medium (e.g., an aquifer) that sits atop an impermeable…
Turbulent Rayleigh-Benard convection with phase changes in an extended layer between two parallel impermeable planes is studied by means of three-dimensional direct numerical simulations for Rayleigh numbers between 10^4 and 1.5\times 10^7…
We investigate the effect of pressure on the carbon dioxide (CO$_{2}$) hydrate-water interfacial free energy along its dissociation line using advanced computer simulation techniques. In previous works, we have determined the interfacial…
This work discusses the sedimentation stability and aging of aqueous suspension of Laponite in the presence of cetyltrimethylammonium bromide (CTAB). The concentration of Laponite was fixed at the constant level $C_l=2$ %wt, which…
We study the Muskat problem on the half-plane, which models motion of an interface between two fluids of distinct densities (e.g., oil and water) in a porous medium (e.g., an aquifer) that sits atop an impermeable layer (e.g., bedrock).…
Interfacial hydration structures are crucial in wide-ranging applications, including battery, colloid, lubrication etc. Multivalent ions like Mg2+ and La3+ show irreplaceable roles in these applications, which are hypothesized due to their…
Continuum Monte-Carlo simulations at constant pressure are performed on short chain molecules at surfaces. The rodlike chains, consisting of seven effective monomers, are attached at one end to a flat twodimensional substrate. It is found…
Condensation models describe the equilibrium distribution of elements between coexisting mineral solid solutions, silicate liquid, and vapor in a closed chemical system, vapor phase always present, using equations of state of the phases…