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The dynamics of flexible polymer molecules are often assumed to be governed by hydrodynamics of the solvent. However there is considerable evidence that internal dissipation of a polymer contributes as well. Here we investigate the dynamics…

Soft Condensed Matter · Physics 2013-05-29 J. M. Deutsch

It has been revealed by mean-field theories and computer simulations that the nature of the collapse transition of a polymer is influenced by its bending stiffness $\epsilon_{\rm b}$. In two dimensions, a recent analytical work demonstrated…

Soft Condensed Matter · Physics 2009-11-13 Jie Zhou , Zhong-Can Ou-Yang , Haijun Zhou

Semiflexible macromolecules in dilute solution under very good solvent conditions are modeled by self-avoiding walks on the simple cubic lattice ($d=3$ dimensions) and square lattice ($d=2$ dimensions), varying chain stiffness by an energy…

Soft Condensed Matter · Physics 2015-05-30 Hsiao-Ping Hsu , Kurt Binder

We investigate the translocation of stiff polymers in the presence of binding particles through a nanopore by two-dimensional Langevin dynamics simulations. We find that the mean translocation time shows a minimum as a function of the…

Soft Condensed Matter · Physics 2015-06-12 Wancheng Yu , Yiding Ma , Kaifu Luo

We study the passage (translocation) of a self-avoiding polymer through a membrane pore in two dimensions. In particular, we numerically measure the probability distribution Q(T) of the translocation time T, and the distribution P(s,t) of…

Statistical Mechanics · Physics 2009-02-12 Clément Chatelain , Yacov Kantor , Mehran Kardar

Using Langevin dynamics simulations, we investigate the dynamics of a flexible polymer translocation into a confined area under a driving force through a nanopore. We choose an ellipsoidal shape for the confinement and consider the…

Soft Condensed Matter · Physics 2012-12-06 Kehong Zhang , Kaifu Luo

We study the dynamics of a knot in a semiflexible polymer confined to a narrow channel of width comparable to the polymers' persistence length. Using a combination of Brownian dynamics simulations and a coarse-grained stochastic model, we…

Soft Condensed Matter · Physics 2008-08-14 Wolfram Mobius , Erwin Frey , Ulrich Gerland

When injected through a contraction, high molecular weight polymer solutions exhibit a sharp increase of apparent viscosity which originates from stretching polymer chains above a critical extension rate. This chain stretching can also…

Fluid Dynamics · Physics 2020-04-22 Sandeep Garrepally , Stephane Jouenne , Peter D. Olmsted , Francois Lequeux

Polymers exposed to shear flow exhibit a rich tumbling dynamics. While rigid rods rotate on Jeffery orbits, flexible polymers stretch and coil up during tumbling. Theoretical results show that in both of these asymptotic regimes the…

Soft Condensed Matter · Physics 2014-05-27 Philipp S. Lang , Benedikt Obermayer , Erwin Frey

We study the rotational dynamics of a flexible polymer initially wrapped around a rigid rod and unwinding from it. This dynamics is of interest in several problems in biology and constitutes a fundamental instance of polymer relaxation from…

Soft Condensed Matter · Physics 2014-07-29 Jean-Charles Walter , Marco Baiesi , Enrico Carlon , Helmut Schiessel

The probability that a randomly accelerated particle in two dimensions has not yet left a simply connected domain ${\cal A}$ after a time $t$ decays as $e^{-E_0t}$ for long times. The same quantity $E_0$ also determines the confinement free…

Statistical Mechanics · Physics 2009-11-07 D. J. Bicout , T. W. Burkhardt

We investigate the dynamics and the pathways of the collapse of a single, semiflexible polymer in a poor solvent via 3-D Brownian Dynamics simulations. Earlier work indicates that the condensation of semiflexible polymers generically…

Soft Condensed Matter · Physics 2009-11-10 Alberto Montesi , Matteo Pasquali , F. C. MacKintosh

Kinetics of conformational change of a semiflexible polymer under mechanical external field were investigated with Langevin dynamics simulations. It is found that a semiflexible polymer exhibits large hysteresis in mechanical…

Soft Condensed Matter · Physics 2009-11-10 Natsuhiko Yoshinaga , Kenichi Yoshikawa , Takao Ohta

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…

Soft Condensed Matter · Physics 2023-02-15 Valerio Sorichetti , Virginie Hugouvieux , Walter Kob

We computationally investigate the active transport of tangentially-driven polymers with varying degrees of flexibility and activity in two-dimensional square lattices of obstacles. Tight periodic confinement induces notable conformational…

Soft Condensed Matter · Physics 2023-10-04 Mohammad Fazelzadeh , Ehsan Irani , Zahra Mokhtari , Sara Jabbari-Farouji

The endpoint distribution and dynamics of semiflexible fibers is studied by numerical simulation. A brief overview is given over the analytical theory of flexible and semiflexible polymers. In particular, a closed expression is given for…

Soft Condensed Matter · Physics 2013-06-13 Robert D. Groot

Polyampholytes (PA) are charged polymers composed of positively and negatively charged monomers along their backbone. The sequence of the charged monomers and the bending of the chain significantly influence the conformation and dynamical…

Soft Condensed Matter · Physics 2024-08-29 Rakesh Palariya , Sunil P. Singh

We study the driven translocation of a flexible polymer through an interacting conical pore using Langevin dynamics simulations. We find that, for a fixed value of externally applied force and pore polymer interaction strength, the mean…

Soft Condensed Matter · Physics 2021-02-17 Rajneesh Kumar , Abhishek Chaudhuri , Rajeev Kapri

We report molecular dynamics simulations of a system of repulsive, polymer-tethered colloidal particles. We use an explicit polymer model to explore how the length and the behavior of the polymer (ideal or self-avoiding) affect the ability…

Soft Condensed Matter · Physics 2015-05-14 Behnaz Bozorgui , Maya Sen , William L. Miller , Josep C. Pamies , Angelo Cacciuto

We present a unified scaling theory for the dynamics of monomers for dilute solutions of semiflexible polymers under good solvent conditions in the free draining limit. Our theory encompasses the well-known regimes of mean square…

Soft Condensed Matter · Physics 2015-06-17 Aiqun Huang , Ramesh Adhikari , Aniket Bhattacharya , Kurt Binder