Related papers: Simulations of Thin Polymer Films on Flat and Curv…
We propose that several mechanisms contribute to friction in a polymer melt adsorbed at a structured surface. The first one is the well known disentanglement of bulk polymer chains from the surface layer. However, if the surface is ideal at…
Confinement breaks the translational symmetry of materials. Such symmetry breaking can be used to obtain configurations that are not otherwise accessible in the bulk. Here, we explore the effect of substrate-liquid interactions on the…
Dewetting of thin polystyrene films deposited onto silicone wafers at temperatures close to the glass transition exhibits unusual dynamics and front morphologies. Here, we present a new theoretical approach of these phenomena taking into…
We study the partitioning of cosolute particles in a thin film of a semi-flexible polymer network by a combination of coarse-grained (implicit-solvent) stochastic dynamics simulations and mean-field theory. We focus on a wide range of…
In this work we present the general phase behavior of short tubelike flexible polymers. The geometric thickness constraint is implemented through the concept of the global radius of curvature. We use sophisticated Monte Carlo sampling…
Thin film growth is investigated in two types of lattice gas models where substrate and film particles are different, expressed by unequal interaction energy parameters. The first is of solid-on-solid type, whereas the second type…
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,…
The effect of rigid surfaces on the dynamics of thin liquid films which are amenable to the lubrication approximation is considered. It is shown that the Helfrich energy of the layer gives rise to additional terms in the time-evolution…
Adhesive peeling of a thin elastic film from a substrate is a classic problem in mechanics. However, many of the investigations on this topic to date have focused on peeling from substrates with flat surfaces. In this paper, we study the…
Recent experiments have demonstrated that the glass transition temperature of thin polymer films can be shifted as compared to the same polymer in the bulk, the amplitude and the sign of this effect depending on the interaction between the…
We study how confinement affects topology and conformations in polymer films of varying thickness $h$. The knotting probability exhibits a maximum at intermediate thicknesses near the bulk radius of gyration $h \approx R_\mathrm{g,bulk}$,…
We present the results of analytic calculations and numerical simulations of the behaviour of a new class of chain molecules which we call thick polymers. The concept of the thickness of such a polymer, viewed as a tube, is encapsulated by…
Many objects in nature and industry are wrapped in a thin sheet to enhance their chemical, mechanical, or optical properties. There are similarly a variety of methods for wrapping, from pressing a film onto a hard substrate, to using…
We study steady-state thin films on a chemically heterogeneous substrates of finite size, subject to no-flux boundary conditions. Based on the structure of the bifurcation diagram, we classify the one-dimensional steady-state solutions that…
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 explore the pressure of active particles on curved surfaces and its relation to other interfacial properties. We use both direct simulations of the active systems as well as simulations of an equilibrium system with effective (pair)…
We examine the dynamics of a thin film formed by a distributed liquid source on a vertical solid wall. The model is derived using the lubrication approximation and includes the effects of gravity, upward airflow and surface tension. When…
The molecular mechanism of slip at the interface between polymer melts and weakly attractive smooth surfaces is investigated using molecular dynamics simulations. In agreement with our previous studies on slip flow of shear-thinning fluids,…
Thin liquid films exhibit rich instability and rupture dynamics that critically impact coating performance across many applications. In this work, we use the lattice Boltzmann method (LBM) simulations within a lubrication-theory framework…
In this work we study the spreading dynamics of tiny liquid droplets on solid surfaces in the case where the ends of the molecules feel different interactions with respect to the surface. We consider a simple model of dimers and short…