Related papers: Local dynamics and primitive path analysis for a m…
The molecular dynamics simulations were used to obtain the radius of gyration of real ring polymer chains with different topological structures consisting of 360 monomers. We focus on the entropic force which is exerted by a dilute solution…
We report results of molecular-dynamics simulations for a glassy polymer melt consisting of short, linear bead-spring chains. It was shown in previous work that this onset of the glassy slowing down is compatible with the predictions of the…
Frontal polymerization is a promising energy-saving method for rapid fabrication of polymer components with good mechanical properties. In these systems, a small energy input is sufficient to convert monomers, from a liquid or soft solid…
When a finite volume of etching solution is in contact with a disordered solid, complex dynamics of the solid-solution interface develop. If the etchant is consumed in the chemical reaction, the dynamics stop spontaneously on a self-similar…
The statistics of randomly branching double-folded ring polymers are relevant to the secondary structure of RNA, the large-scale branching of plectonemic DNA (and thus bacterial chromosomes), the conformations of single-ring polymers…
We present results from molecular dynamics simulations of strictly two-dimensional (2D) polymer melts and thin polymer films in a slit geometry of thickness of the order of the radius of gyration. We find that the dynamics of the 2D melt is…
The equilibrium properties of polymer droplets on a soft deformable surface are investigated by molecular dynamics simulations of a bead-spring model. The surface consists of a polymer brush with irreversibly end-tethered linear homopolymer…
Probing the fluid dynamics of thin films is an excellent tool to study the solid/liquid boundary condition. There is no need for external stimulation or pumping of the liquid due to the fact that the dewetting process, an internal…
Direct numerical simulations of a temporally-developing, low-speed, variable-density, turbulent, plane mixing layer are performed. The Navier-Stokes equations in the low-Mach number approximation are solved using a novel algorithm based on…
We discuss simulations of a simple model for polymer blends in the framework of the Rouse model. At odds with standard predictions, large dynamic asymmetry between the two components induces strong non-exponentiality of the Rouse modes for…
We present local velocity measurements in emulsions under shear using heterodyne Dynamic Light Scattering. Two emulsions are studied: a dilute system of volume fraction $\phi=20$ % and a concentrated system with $\phi=75$ %. Velocity…
We have developed a dynamic self-consistent field theory, without any adjustable parameters, for unentangled polymer blends under shear. Our model accounts for the interaction between polymers, and enables one to compute the evolution of…
Reactive flows in confined spaces involve complex flame-wall interaction (FWI). This work aims to gain more insights into the physics of the premixed near-wall flame and the wall heat flux as an important engineering relevant quantity. Two…
We have developed a theory of polymer entanglement using an extended Cahn-Hilliard functional, with two extra terms. One is a nonlocal attractive term, operating over mesoscales, which is interpreted as giving rise to entanglement, and the…
The article demonstrates that the internal circulation velocity and patterns in sessile droplets on superhydrophobic surfaces is governed by the surface curvature. Particle Image Velocimetry reveals that increasing convexity deteriorates…
The localization kinetics of a regular block-copolymer of total length $N$ and block size $M$ at a selective liquid-liquid interface is studied in the limit of strong segregation between hydrophobic and polar segments in the chain. We…
This review describes the development and applications of multi-chain coarse-grained simulations for entangled polymer dynamics. The mean-field tube model has long served as the standard paradigm for describing the many-body entanglement…
Equilibration of polymer melts containing highly entangled long polymer chains in confinement or with free surfaces is a challenge for computer simulations. We approach this problem by first studying polymer melts based on the soft-sphere…
Based on a microscopic density functional theory we calculate the internal structure of the three-phase contact line between liquid, vapor, and a confining wall as well as the morphology of liquid wetting films on a substrate exhibiting a…
The correlations in the motion of reptating polymers in their melt are investigated by means of kinetic Monte Carlo simulations of the three dimensional slithering snake version of the bond-fluctuation model. Surprisingly, the slithering…