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Molecular Dynamics (MD) simulations are presented for a coarse-grained bead-spring model of ring polymer brushes under compression. Flexible polymer brushes are always disordered during compression, whereas semiflexible brushes tend to be…

Soft Condensed Matter · Physics 2017-01-23 Yunfeng Hua , Zhenyu Deng , Yangwei Jiang , Linxi Zhang

We examine the dynamics of silica particles grafted with high molecular weight polystyrene suspended in semidilute solutions of chemically similar linear polymer using x-ray photon correlation spectroscopy. The particle dynamics decouple…

Soft Condensed Matter · Physics 2019-08-27 Ryan Poling-Skutvik , Ali H. Slim , Suresh Narayanan , Jacinta C. Conrad , Ramanan Krishnamoorti

In this paper we study the shape characteristics of star-like polymers in various solvent quality using a mesoscopic level of modeling. The dissipative particle dynamics simulations are performed for the homogeneous and four different…

Soft Condensed Matter · Physics 2020-03-24 O. Kalyuzhnyi , J. M. Ilnytskyi , Yu. Holovatch , C. von Ferber

We investigate the effect of polydispersity on the properties of curved linear brushes in good solvent and for molten brushes. To this end, we extend the strong stretching theory for polydisperse brushes to curved geometries and investigate…

Soft Condensed Matter · Physics 2024-06-25 Marios Giannakou , Oleg V. Borisov , Friederike Schmid

We consider the lattice model for an ideal-linear polymer chain to mimic the conformations of the semi-flexible homo-polymer chain. The polymer chain is assumed to confine in the fairly small area, such that the flexible chain conformations…

Soft Condensed Matter · Physics 2020-10-23 Pramod Kumar Mishra

Control of frictional interactions among liquid-suspended particles has led to tunable, strikingly non-Newtonian rheology via the formation of strong flow constraints as particles come into close proximity under shear. Typically, these…

We study the dynamics of an ideal polymer chain in a crowded, viscoelastic medium and in the presence of active forces. The motion of the centre of mass and of individual monomers is calculated. On time scales that are comparable to the…

Soft Condensed Matter · Physics 2015-12-23 Hans Vandebroek , Carlo Vanderzande

We briefly review recent advances in the hydrodynamic modeling of the dynamics of droplets on adaptive substrates, in particular, solids that are covered by polymer brushes. Thereby, the focus are long-wave and full-curvature variants of…

Fluid Dynamics · Physics 2024-08-05 Simon Hartmann , Jan Diekmann , Daniel Greve , Uwe Thiele

Large scale Monte Carlo simulations of dense layers of grafted polymer chains in good solvent conditions are used to explore the relaxation of a polymer brush. Monomer displacements are analyzed for the directions parallel and perpendicular…

Soft Condensed Matter · Physics 2021-04-13 Michael Lang , Marco Werner , Ron Dockhorn , Torsten Kreer

The slip phenomena in thin polymer films confined by either flat or periodically corrugated surfaces are investigated by molecular dynamics and continuum simulations. For atomically flat surfaces and weak wall-fluid interactions, the shear…

Soft Condensed Matter · Physics 2008-10-15 Anoosheh Niavarani , Nikolai V. Priezjev

The rheological behavior of polymer melts is strongly influenced by parameters such as chain length, chain stiffness, and architecture. In particular, shear thinning, characterized by a power-law decrease in shear viscosity with increasing…

Soft Condensed Matter · Physics 2026-03-17 Yuhi Sakamaki , Shota Goto , Kang Kim , Nobuyuki Matubayasi

Polymer fibers are currently exploited in tremendously important technologies. Their innovative properties are mainly determined by the behavior of the polymer macromolecules under the elongation induced by external mechanical or…

While the dynamics of polymer chains in equilibrium media is well understood by now, the polymer dynamics in active non-equilibrium environments can be very different. Here we study the dynamics of polymers in a viscous medium containing…

Soft Condensed Matter · Physics 2017-06-23 Jaeoh Shin , Andrey G. Cherstvy , Won Kyu Kim , Vasily Zaburdaev

Precise control over the flow behavior of liquids is a critical problem and is demanding for multifaceted applications. Introducing surface-engineered nanoparticles into the liquid can tune the flow behavior. However, the extent of…

Materials Science · Physics 2025-03-10 Prama Adhya , Sachin M. B. Gautham , Tarak K Patra , Manish Kaushal , Titash Mondal

Self-assembled linear structures like giant cylindrical micelles or discotic molecules in solution stacked in flexible columns are systems reminiscent of polydisperse polymer solutions.These supramolecular polymers have an equilibrium…

Soft Condensed Matter · Physics 2015-06-25 C-C Huang , H. Xu , F. Crevel , J. Wittmer , J. -P. Ryckaert

Using molecular dynamics simulations we examine the dynamics of a family of model polymers with varying chain length and torsional potential barriers. We focus on features of the dynamics of polymers that are seen experimentally but absent…

Soft Condensed Matter · Physics 2019-06-11 Daniel Fragiadakis , C. Michael Roland

Using Molecular Dynamics simulations, we study the force-induced detachment of a coarse-grained model polymer chain from an adhesive substrate. One of the chain ends is thereby pulled at constant speed off the attractive substrate and the…

Soft Condensed Matter · Physics 2015-06-22 J. Paturej , A. Erbas , A. Milchev , V. G. Rostiashvili

We consider three different continuum polymer models, that all depend on a tunable parameter r that determines the strength of the excluded-volume interactions. In the first model chains are obtained by concatenating hard spherocylinders of…

Soft Condensed Matter · Physics 2017-10-25 Giuseppe D'Adamo , Andrea Pelissetto

We analyze the structural behavior of a single polymer chain grafted to an attractive, flexible surface. Our model is composed of a coarse-grained bead-and-spring polymer and a tethered membrane. By means of extensive parallel tempering…

Soft Condensed Matter · Physics 2011-09-26 Steffen Karalus , Wolfhard Janke , Michael Bachmann

We consider the diffusion and spreading of chainlike molecules on solid surfaces. We first show that the steep spherical cap shape density profiles, observed in some submonolayer experiments on spreading polymer films, imply that the…

Soft Condensed Matter · Physics 2009-10-31 T. Hjelt , S. Herminghaus , T. Ala-Nissila , S. C. Ying