Related papers: Molecular Simulations of Dewetting
The ordering of particles in the drying process of a colloidal suspension is crucial in determining the properties of the resulting film. For example, microscopic inhomogeneities can lead to the formation of cracks and defects that can…
Molecular dynamics simulations of miscible and partially miscible binary Lennard--Jones mixtures are used to study the dynamics and thermodynamics of vapor condensation onto a non-volatile liquid drop in the canonical ensemble. When the…
We perform the analysis of predictions of a classical density functional theory for associating fluids with different association strength concerned with wetting of solid surfaces. The four associating sites water-like models with…
Pendant drops suspended on the underside of a wet substrate are known to accumulate fluid from the surrounding thin liquid film, a process that often results in dripping. The growth of such drops is hastened by their ability to translate…
The density functional approach for classical associating fluids is used to explore the wetting phase diagrams for model systems consisting of water and graphite-like solid surfaces chemically modified by a small amount of grafted chain…
In this paper, we derive a lubrication model to describe the non-stationary free liquid film that is created when a vertical frame is pulled out of a liquid reservoir at a given velocity. We here focus on the case of a pure liquid,…
We study the instability of a thin film composed of two miscible fluids (binary fluid) placed on a solid planar surface. We include the fact that both the free surface and wetting energies depend on the mixture concentration. By assuming a…
Wetting and dewetting dynamics of simple and complex liquids is described by kinetic equations in gradient dynamics form that incorporates the various coupled dissipative processes in a fully thermodynamically consistent manner. After…
Kinetics of dislocations is studied by means of computer simulation during intensive plastic deformation. The dynamical effect in the form of soliton-like wave of sharply disrupted interparticle bonds is observed. Along with it, micropores…
A novel mechanical approach is developed to explore by means of atom-scale simulation the concept of line tension at a solid-liquid-vapor contact line as well as its dependence on temperature, confinement, and solid/fluid interactions. More…
The impact of nanometer sized drops on solid surfaces is studied using molecular dynamics simulations. Equilibrated floating drops consisting of short chains of Lennard-Jones liquids with adjustable volatility are directed normally onto an…
The coalescence of droplets plays a crucial role in nature and modern technology. Various experimental and theoretical studies explored droplet dynamics in 3D and on 2D solid or liquid substrates. In this paper, we demonstrate the…
We report a molecularly-augmented continuum-based computational model of dynamic wetting and apply it to the displacement of an externally-driven liquid plug between two partially-wetted parallel plates. The results closely follow those…
The evaporation of a tiny amount of water on the solid surface with different wettability has been studied by molecular dynamics simulations. We found that, as the surface changed from hydrophobicity to hydrophility, the evaporation speed…
In solution-processing of thin films, the material layer is deposited from a solution composed of several solutes and solvents. The final morphology and hence the properties of the film often depend on the time needed for the evaporation of…
Accurate estimation of surface wettability for various degrees of hydrophobicity becomes increasingly important in the molecular design of membrane. In this paper, we develop simple yet physically realistic model for estimating contact…
Soft particles suspended in fluids flowing through microchannels are often encountered in biological flows such as cells in vessels. They can deform under flow or when subject to mechanical stresses as they interact with themselves.…
Liquid drops start spreading directly after brought into contact with a partial wetting substrate. Although this phenomenon involves a three-phase contact line, the spreading motion is very fast. We study the initial spreading dynamics of…
A gradient dynamics model based on an extended interface Hamiltonian is presented that is able to describe the dynamics of structuring processes in thin films of liquid mixtures, solutions and suspensions on solid substrates including…
Dewetting of a binary alloy thin film is studied using a continuum many-parameter model that accounts for the surface and bulk diffusion, the bulk phase separation, the surface segregation and the particles formation. Analytical solution is…