Related papers: Intermolecular forces at ice and water interfaces:…
Interfacial polar molecules feature a strongly anisotropic response to applied electric field, favoring dipole orientations parallel to the interface. In water, in particular, this effect combines with generic orientational preferences…
Water near hydrophobic surfaces is like that at a liquid-vapor interface, where fluctuations in water density are substantially enhanced compared to that in bulk water. Here we use molecular simulations with specialized sampling techniques…
Standard density functionals without van der Waals interactions yield an unsatisfactory description of ice phases, specifically, high density phases occurring under pressure are too unstable compared to the common low density phase I$_h$…
The Casimir-Lifhitz force acts between neutral material bodies and is due to the fluctuations (around zero) of the electrical polarizations of the bodies. This force is a macroscopic manifestation of the van der Waals forces between atoms…
Interfaces are a most common motif in complex systems. To understand how the presence of interfaces affect hydrophobic phenomena, we use molecular simulations and theory to study hydration of solutes at interfaces. The solutes range in size…
Using molecular dynamics simulations and methods of importance sampling, we study the thermodynamics and dynamics of sodium chloride in the aqueous premelting layer formed spontaneously at the interface between ice and its vapor. We uncover…
We analyze the displacements of the particles of a glass-forming molecular liquid perpendicular to a confining solid surface, using extensive molecular dynamics simulations with atomistic models. In the vicinity of an attractive surface,…
Understanding what happens inside the rippling and dancing surface of a liquid remains one of the great challenges of fluid dynamics. Using molecular dynamics (MD) we can pick apart the interface structure and understand surface tension. In…
We develop the Lifshitz theory of van der Waals forces in a wedge of a dielectric material. The non-planar geometry of the problem requires determining point-wise distribution of stresses. The findings are relevant to a wide range of…
A uniform solidification front undergoes non-trivial deformations when encountering an insoluble dispersed particle in a melt. For solid particles, the overall deformation characteristics are primarily dictated by heat transfer between the…
Contact freezing is a mode of atmospheric ice nucleation in which a collision between a dry ice nucleating particle (INP) and a water droplet results in considerably faster heterogeneous nucleation. The molecular mechanism of such…
The strength of hydrogen bonding in water is stronger than that of van der waals interaction, therefore water may play an important role in the process of hydrophobic effects. When a hydrophobic solute is dissolved into water, an interface…
An approximate theory is presented describing the propagation of the ice-water front that develops in droplets of water that are deposited on a planar surface at a temperature below the melting point of ice. A calculation based on this…
We study the effect of surface fields on the interfacial properties of a binary polymer melt confined between two parallel walls. Each wall attracts a different component of the blend by a non-retarded van der Waals potential. An interface…
When a particle is placed in a material with a lower bulk melting temperature, intermolecular forces can lead to the existence of a premelted liquid film of the lower melting temperature material. Despite the system being below the melting…
Boundary conditions for the solid-liquid interface of the solidifying pure melt have been derived. In the derivation the model of Gibbs interface is used. The boundary conditions include both the state quantities of bulk phases are taken at…
By using a limit analysis for the motion equations of viscous fluid endowed with internal capillarity, we are able to propose a dynamical expression for the surface tension of moving liquid-vapour interfaces without any phenomenological…
The formation of ice in the atmosphere affects precipitation and cloud properties, and plays a key role in the climate of our planet. Although ice can form directly from liquid water at deeply supercooled conditions, the presence of foreign…
We study the wetting properties of water on silica surfaces using molecular dynamics (MD) simulations. To describe the intermolecular interaction between water and silica atoms, two types of interaction potential models are used: the…
We study an interface-capturing two-phase fluid model in which the interfacial tension is modelled as a volumetric stress. Since these stresses are obtainable from a Van der Waals-Cahn-Hilliard free energy, the model is, to a certain…