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The properties of semiflexible polymers tethered by one end to an impenetrable wall and exposed to oscillatory shear flow are investigated by mesoscale simulations. A polymer, confined in two dimensions, is described by a linear bead-spring…

Soft Condensed Matter · Physics 2021-12-14 Antonio Lamura , Roland G. Winkler , Gerhard Gompper

The properties of a semiflexible polymer with fixed ends exposed to oscillatory shear flow are investigated by simulations. The two-dimensionally confined polymer is modeled as a linear bead-spring chain, and the interaction with the fluid…

Soft Condensed Matter · Physics 2021-12-14 Antonio Lamura , Roland G. Winkler

The nonequilibrium structural and dynamical properties of semiflexible active polar polymers subject to linear flow are studied by numerical simulations. Filaments are confined in two dimensions and immersed in a fluid described by the…

Soft Condensed Matter · Physics 2026-04-23 A. Lamura , R. G. Winkler

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

The dynamical response of a tethered semiflexible polymer with self-attractive interactions and subjected to an external force field is numerically investigated by varying stiffness and self-interaction strength. The chain is confined in…

Soft Condensed Matter · Physics 2022-11-09 A. Lamura

The non-equilibrium structural and dynamical properties of semiflexible polymers confined to two dimensions are investigated by molecular dynamics simulations. Three different scenarios are considered: The force-extension relation of…

Soft Condensed Matter · Physics 2013-01-08 A. Lamura , R. G. Winkler

Solutions of semiflexible polymers confined by repulsive planar walls are studied by density functional theory and Molecular Dynamics simulations, to clarify the competition between the chain alignment favored by the wall and the depletion…

Soft Condensed Matter · Physics 2016-05-25 Sergei A. Egorov , Andrey Milchev , Peter Virnau , Kurt Binder

The non-linear response of entangled polymers to shear flow is complicated. Its current understanding is framed mainly as a rheological description in terms of the complex viscosity. However, the full picture requires an assessment of the…

Computational Physics · Physics 2018-08-21 Airidas Korolkovas , Philipp Gutfreund , Max Wolff

The conformational and dynamical properties of active ring polymers are studied by numerical simulations. The two-dimensionally confined polymer is modeled as a closed bead-spring chain, driven by tangential forces, put in contact with a…

Soft Condensed Matter · Physics 2024-06-03 A. Lamura

We present Brownian dynamics simulation results of a flexible linear polymer with excluded-volume interactions under shear flow in the presence of active noise. The active noise strongly affects the polymer's conformational and dynamical…

Soft Condensed Matter · Physics 2023-11-21 Arindam Panda , Roland G. Winkler , Sunil P. Singh

Ring, or cyclic, polymers have unique properties compared to linear polymers, due to their topologically closed structure that has no beginning or end. Experimental measurements on molecular ring polymers are challenging due to their…

Soft Condensed Matter · Physics 2023-03-15 Ruben Verweij , Julio Melio , Indrani Chakraborty , Daniela J Kraft

We investigate conformations and dynamics of a polymer considering its monomers to be active Brownian particles. This active polymer shows very intriguing physical behavior which is absent in an active Rouse chain. The chain initially…

Soft Condensed Matter · Physics 2020-04-13 Shalabh K. Anand , Sunil P. Singh

The results obtained from molecular dynamics simulations of the friction at an interface between polymer melts and weakly attractive crystalline surfaces are reported. We consider a coarse-grained bead-spring model of linear chains with…

Soft Condensed Matter · Physics 2012-06-12 Nikolai V. Priezjev

Bead spring models for polymers in solution are nonlinear if either the finite extensibility of the polymer, excluded volume effects or hydrodynamic interactions between polymer segments are taken into account. For such models we use a…

Soft Condensed Matter · Physics 2009-11-07 Roland Rzehak , Walter Zimmermann

We consider a model of an extensible semiflexible filament moving in two dimensions on a motility assay of motor proteins represented explicitly as active harmonic linkers. Their heads bind stochastically to polymer segments within a…

Biological Physics · Physics 2021-08-31 Amir Shee , Nisha Gupta , Abhishek Chaudhuri , Debasish Chaudhuri

The conformational properties of flexible and semiflexible polymers exposed to active noise are studied theoretically. The noise may originate from the interaction of the polymer with surround- ing active (Brownian) particles or from the…

Soft Condensed Matter · Physics 2024-06-03 Thomas Eisenstecken , Gerhard Gompper , Roland G. Winkler

We analyze the conformational dynamics and statistical properties of an active polymer model. The polymer is described as a freely-jointed bead-rod chain subject to stochastic active force dipoles that act on the suspending solvent where…

Soft Condensed Matter · Physics 2022-02-09 Achal Mahajan , David Saintillan

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…

Soft Condensed Matter · Physics 2020-10-14 Hsiao-Ping Hsu , Kurt Kremer

A polymer model given in terms of beads, interacting through Hookean springs and hydrodynamic forces, is studied. Brownian dynamics description of this bead-spring polymer model is extended to multiple resolutions. Using this multiscale…

Chemical Physics · Physics 2018-06-13 Edward Rolls , Radek Erban

The dynamics of filaments in flow are central to understanding a wide range of biological and soft-matter systems, yet their behavior under time-dependent forcing remains poorly understood. Here, we investigate the long-time dynamics of…

Soft Condensed Matter · Physics 2026-01-05 Francesco Bonacci , Brato Chakrabarti , Olivia du Roure , Anke Lindner , David Saintillan
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