Related papers: Nanoscale capillary wetting studied with dissipati…
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 capillary condensation for fluids into spherical nano-cavities is analyzed within the frame of two theoretical approaches. One description is based on a widely used simplified version of the droplet model formulated for studying atomic…
We present a mechanistic model for a Newtonian fluid called fluid particle dynamics. By analyzing the concept of ``fluid particle'' from the point of view of a Voronoi tessellation of a molecular fluid, we propose an heuristic derivation of…
This work presents the mathematical and computational aspects of a smooth dissipative particle dynamics with dynamic virtual particle allocation method (SDPD-DV) for modeling and simulation of mesoscopic fluids in wall-bounded domains. The…
A lattice-gas model with heterogeneity is developed for the description of fluid condensation in finite sized one-dimensional pores of arbitrary shape. An exact solution of the model is presented for zero-temperature that reproduces the…
The diffusion of a Janus rod-shaped nanoparticle in a dense Lennard-Jones fluid is studied using molecular dynamics (MD) simulations. The Janus particle is modeled as a rigid cylinder whose atoms on each half-side have different interaction…
Two different theories are used to understand the liquid-vapor interfaces: the Van der Waals theory and the capillary waves theory. But comparing both come up a problem of interpretation of the interface density profiles obtained, for…
We present direct experimental evidence that water droplets can spontaneously penetrate non-wetting capillaries, driven by the action of Laplace pressure due to high droplet curvature. Using high-speed optical imaging, microcapillaries of…
Nanopores are both a tool to study single-molecule biophysics and nanoscale ion transport, but also a promising material for desalination or osmotic power generation. Understanding the physics underlying ion transport through nano-sized…
In this work, we extend the model of contact angles that we have previously developed for sessile drops on a wetted surface to the case of a meniscus in a capillary. The underlying physics of our model describe the intermolecular forces…
We present a novel approach of mapping dissipative particle dynamics (DPD) into classical molecular dynamics. By introducing the invariant volume element representing the swarm of atoms we show that the interactions between the emerging…
Molecular dynamics (MD) simulations are employed to investigate the capillary fluctuations of steps on the surface of a model metal system. The fluctuation spectrum, characterized by the wave number ($k$) dependence of the mean squared…
A computational framework is developed to address capillary self-focusing in Step Emulsification. The microfluidic system consists of a single shallow and wide microchannel that merges into a deep reservoir. A continuum approach coupled…
The molecular structure of moving contact lines (MCLs) and the emergence of a corresponding macroscopic dissipation have made the MCL a paradigm of fluid dynamics. Through novel averaging techniques that remove capillary waves smearing we…
Grid based fluid simulation methods are not able to monolithically capture complex non-linear dynamics like the rupture of a dynamic liquid bridge between freely colliding solids, an exemplary scenario of capillary forces competing with…
The wetting of solid surfaces can be manoeuvred by altering the energy balance at the interfacial region. While electric field acts favourably to spread a droplet on a rigid surface, this tendency may be significantly suppressed over soft…
We study the role of the capillary number, $Ca$ and of the surface wettability on the dynamics of the interface between an invading and a defending phase in a porous medium by means of numerical simulations. We employ a hybrid phase…
We study the spatio-temporal dynamics of water uptake by capillary condensation from unsaturated vapor in mesoporous silicon layers (pore radius $r_\mathrm{p} \simeq 2$ nm), taking advantage of the local changes in optical reflectance as a…
The molten sand, a mixture of calcia, magnesia, alumina, and silicate, known as CMAS, is characterized by its high viscosity, density, and surface tension. The unique properties of CMAS make it a challenging material to deal with in…
Colloids dispersed in nematic liquid crystals form topological composites in which colloid-associated defects mediate interactions while adhering to fundamental topological constraints. Better realising the promise of such materials…