Related papers: Surface Wetting Study via Pseudocontinuum Modeling
Different computational techniques in combination with molecular dynamics computer simulation are used to to determine the wall-liquid and the wall-crystal interfacial free energies of a modified Lennard-Jones (LJ) system in contact with a…
In recent decades novel solid substrates have been designed which change their wettability in response to light or an electrostatic field. Here, we investigate a droplet on substrates with oscillating uniform wettability by varying minimium…
Accurate measurement of dynamic contact angles in aqueous environments is essential for evaluating surface wettability. However, conventional captive bubble methods often suffer from limitations such as bubble instability and interference…
In a recent publication, Trentin et al employed Molecular Dynamics (MD) simulations for the theoretical study of the wetting of the different polymorphs of cellulose by water, using the widely employed TIP3P model of water. Here we show…
The contact angle of a liquid droplet on a solid surface is a direct measure of fundamental atomic-scale forces acting between liquid molecules and the solid surface. In this work, the validity is assessed of a simple equation, which…
We study surface nanobubbles using molecular dynamics simulation of ternary (gas, liquid, solid) systems of Lennard-Jones fluids. They form for sufficiently low gas solubility in the liquid, i.e., for large relative gas concentration. For…
We theoretically investigate the apparent contact angle and contact angle hysteresis of a droplet placed on a liquid infused surface. We show that the apparent contact angle is not uniquely defined by material parameters, but also has a…
Wetting phenomena play a key role in flows through porous media. Relative permeability and capillary pressure-saturation functions show a high sensitivity to wettability, which has different definitions at the continuum- and pore-scale. At…
The friction and adhesion between elastic bodies are strongly influenced by the roughness of the surfaces in contact. Here we develop a multiscale molecular dynamics approach to contact mechanics, which can be used also when the surfaces…
The vaporization of a freely moving drop in a uniform, high-temperature gas stream is investigated through direct numerical simulation. The incompressible Navier-Stokes equations with surface tension and phase change are solved in…
The conventional no-slip boundary condition leads to a non-integrable stress singularity at a contact line. This is a main challenge in numerical simulations of two-phase flows with moving contact lines. We derive a two-dimensional…
Liquid droplets sliding along solid surfaces are a frequently observed phenomenon in nature, e.g., raindrops on a leaf, and in everyday situations, e.g., drops of water in a drinking glass. To model this situation, we use a phase field…
Curved fluid interfaces are investigated on the nanometre length scale by molecular dynamics simulation. Thereby, droplets surrounded by a metastable vapour phase are stabilized in the canonical ensemble. Analogous simulations are conducted…
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,…
We present a Monte Carlo (MC) grid-based model for the drying of drops of a nanoparticle suspension upon a heterogeneous surface. The model consists of a generalised lattice-gas in which the interaction parameters in the Hamiltonian can be…
Evaporation of water droplets on a superhydrophobic substrate, on which the contact line is pinned, is investigated. While previous studies mainly focused on droplets with contact angles smaller than 90^\circ, here we analyze almost the…
During coalescence of liquid drops contacting a solid, the liquid sweeps wetted and solid-projected areas. The extent of sweeping dictates the performance of devices such as self-cleaning surfaces, anti-frost coatings, water harvesters, and…
The equilibrium contact angle of a droplet resting on a solid substrate can reveal essential properties of the solid's surface. However, when the motion of a droplet on a surface shows significant hysteresis, it is generally accepted that…
Gradient, chemically modified, flat surfaces enable directed transport of droplets. Calculation of apparent contact angles inherent for gradient surfaces is challenging even for atomically flat ones. Wetting of gradient, flat solid surfaces…
Liquid-liquid wetting failure is investigated in a two-dimensional Couette system with two immiscible fluids of arbitrary viscosity. The problem is solved exactly using a sharp interface treatment of hydrodynamics (lubrication theory) as a…