Related papers: Spreading Dynamics of Polymer Nanodroplets
Using molecular dynamics simulations we study the static and dynamic properties of spherical nanoparticles (NPs) embedded in a disordered and polydisperse polymer network. Purely repulsive (RNP) as well as weakly attractive (ANP) polymer-NP…
Polymer solutions subject to pressure driven flow and in nanoscale slit pores are systematically investigated using the dissipative particle dynamics approach. We investigated the effect of molecular weight, polymer concentration and flow…
High resolution molecular dynamics simulations with full Coulomb interactions of electrons are used to investigate field emission in planar nanodiodes. The effects of space charge and emitter radius are examined and compared to previous…
The properties of polymer liquids on hard and soft substrates are investigated by molecular dynamics simulation of a coarse-grained bead-spring model and dynamic single-chain-in-mean-field (SCMF) simulations of a soft, coarse-grained…
We report in this experimental and numerical study effects of gelation on the early-time spreading ($<$ 10ms) of millimetric non-Newtonian drops of biopolymer and particle suspensions impacting a Newtonian liquid containing reactive…
The motion of a contact line is examined, and comparisons drawn, for a variety of models proposed in the literature. Pressure and stress behaviours at the contact line are examined in the prototype system of quasistatic spreading of a thin…
The diffusion of small molecular penetrants through polymeric materials represents an important fundamental problem, relevant to the design of materials for applications such as coatings and membranes. Polymer networks hold promise in these…
Large scale molecular dynamics simulations are used to study the dispersion of nanoparticles (NPs) in a polymer film during solvent evaporation. As the solvent evaporates, a dense polymer-rich skin layer forms at the liquid/vapor interface,…
Droplets bouncing on a vibrated liquid bath open ways to methods of manipulating droplets, creating double emulsion and performing pilot wave model experiments. In this work, we focus on the role of the droplet deformations in the vertical…
The translocation of a polymer through a pore in a membrane separating fluids of different viscosities is studied via several computational approaches. Starting with the polymer halfway, we find that as a viscosity difference across the…
We study the dynamics and conformation of polymers composed by active monomers. By means of Brownian dynamics simulations we show that when the direction of the self-propulsion of each monomer is aligned with the backbone, the polymer…
We study the phenomenon of the "walking droplet", by means of numerical fluid dynamics simulations using the Smoothed Particle Hydrodynamics numerical method. This phenomenon occurs when a millimetric drop is released on the surface of an…
Existing energy balance models, which estimate maximum droplet spreading, insufficiently capture the droplet spreading from low to high Weber and Reynolds numbers and contact angles. This is mainly due to the simplified definition of the…
We analyze diffusion of small particles in a solid polymeric medium taking into account a short range particle-polymer interaction. The system is modeled by a particle diffusion on a ternary lattice where the sites occupied by polymer…
When a macroscopic droplet spreads, a thin precursor film of liquid moves ahead of the advancing liquid-solid-vapor contact line. Whereas this phenomenon has been explored extensively for planar solid substrates, its presence in…
Fluid phase equilibria involving nano-dispersed phases, where at least one of the coexisting phases is confined to a small volume, are investigated by molecular dynamics simulation. Complementing previous studies on nanoscopic droplets,…
We theoretically investigate the kinetics of the folding transition of a single semiflexible polymer. In the folding transition, the growth rate decrease with an increase in the number of monomers in a collapsed domain, suggesting that the…
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…
Spreading of nano-droplets is an interesting and technologically relevant phenomenon where thermal fluctuations lead to unexpected deviations from well-known deterministic laws. Here, we apply the newly developed fluctuating non-ideal…
The influence of periodic and random surface textures on the flow structure and effective slip length in Newtonian fluids is investigated by molecular dynamics (MD) simulations. We consider a situation where the typical pattern size is…