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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

By analytically solving some simple models of phase-ordering kinetics, we suggest a mechanism for the onset of non-equilibrium behaviour in colloid-polymer mixtures. These mixtures can function as models of atomic systems; their physics…

Soft Condensed Matter · Physics 2016-08-31 R. M. L. Evans , W. C. K. Poon

We present simulations on a binary blend of bead-spring polymer chains. The introduction of monomer size disparity yields very different relaxation times for each component of the blend. Competition between two different arrest mechanisms,…

Soft Condensed Matter · Physics 2007-05-23 Angel J. Moreno , Juan Colmenero

Thermodynamic behavior of polymer chains out of equilibrium is a fundamental problem in both polymer physics and biological physics. By using molecular dynamics simulation, we discover a general non-equilibrium mechanism that controls the…

Soft Condensed Matter · Physics 2023-06-29 Jia-Xiang Li , Song Wu , Li-Li Hao , Qun-Li Lei , Yu-Qiang Ma

Spurred by an experimental controversy in the literature, we investigate the end-monomer dynamics of semiflexible polymers through Brownian hydrodynamic simulations and dynamic mean-field theory. Precise experimental observations over the…

Soft Condensed Matter · Physics 2009-06-20 Michael Hinczewski , Xaver Schlagberger , Michael Rubinstein , Oleg Krichevsky , Roland R. Netz

We report a numerical study of the diffusiophoresis of short polymers using non-equilibrium molecular dynamics simulations. More precisely, we consider polymer chains in a fluid containing a solute which has a concentration gradient, and…

Soft Condensed Matter · Physics 2020-05-20 Simón Ramírez-Hinestrosa , Hiroaki Yoshida , Lydéric Bocquet , Daan Frenkel

Using an isothermal MHD code, we have performed three-dimensional, high-resolution simulations of the Parker instability. The initial equilibrium system is composed of exponentially-decreasing isothermal gas and magnetic field (along the…

Astrophysics · Physics 2009-10-30 Jongsoo Kim , S. S. Hong , Dongsu Ryu , T. W. Jones

We study the equilibrium dynamics of a single polymer chain under good solvent condition. Special emphasis is laid on varying the drag force experienced by the chain while it moves. To this end we model the solvent in a mesoscopic manner by…

Soft Condensed Matter · Physics 2019-05-01 Suman Majumder , Henrik Christiansen , Wolfhard Janke

We report on the linear viscoelastic properties of mixtures comprising multiarm star (as model soft colloids) and long linear chain homopolymers in a good solvent. In contrast to earlier works, we investigated symmetric mixtures (with a…

Soft Condensed Matter · Physics 2020-07-01 Daniele Parisi , Domenico Truzzolillo , Vishnu D. Deepak , Mario Gauthier , Dimitris Vlassopoulos

Most of the theoretical models describing the translocation of a polymer chain through a nanopore use the hypothesis that the polymer is always relaxed during the complete process. In other words, models generally assume that the…

Biomolecules · Quantitative Biology 2009-11-13 Michel G. Gauthier , Gary W. Slater

Active processes in living systems generate nonequilibrium forces that deform embedded passive macromolecules. To understand how such dynamics influence polymer conformation, we study a flexible passive chain in an active nematic fluid.…

Soft Condensed Matter · Physics 2025-09-30 Zahra K. Valei , Davide Marenduzzo , Tyler N. Shendruk

We study a one-dimensional lattice of $N$ sites each occupied by a mathematical "polymer," that is, is a binary random sequence of arbitrary length $n$, or equivalently, a rooted path of $n$ links on an infinite binary tree. The average…

Statistical Mechanics · Physics 2020-08-26 H. J. Hilhorst

We study the relaxation dynamics of a coarse-grained polymer chain at different degrees of stretching by both analytical means and numerical simulations. The macromolecule is modelled as a string of beads, connected by anharmonic springs,…

Soft Condensed Matter · Physics 2009-11-13 M. Febbo , A. Milchev , V. Rostiashvili , T. A. Vilgis , D. Dimitrov

Active polymers possess numerous unique properties that are quite different from those observed in the system of small active molecule due to the intricate interplay between their activity and topological constraints. This study focuses on…

Soft Condensed Matter · Physics 2024-07-09 Jing Li , Bokai Zhang , Zhi-Yong Wang

Polydispersity is inevitable in industrially produced polymers. Established theories of polymer dynamics and rheology, however, were mostly built on monodisperse linear polymers. Dynamics of polydisperse polymers is yet to be fully explored…

Soft Condensed Matter · Physics 2021-06-29 Oluseye Adeyemi , Shiping Zhu , Li Xi

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

A co-polycondensation reaction is discussed analytically and by Monte-Carlo simulations where two reactive units compete for reactions with an alternating third reactive unit, whereby irreversible reactions replace bonds which are able to…

Soft Condensed Matter · Physics 2021-05-26 Michael Lang , Frank Böhme

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

Active matter agents consume internal energy or extract energy from the environment for locomotion and force generation. Already rather generic models, such as ensembles of active Brownian particles, exhibit phenomena, which are absent at…

Soft Condensed Matter · Physics 2020-07-27 Roland G. Winkler , Gerhard Gompper

The interplay of nematic order and phase separation in solutions of semiflexible polymers in solvents of variable quality is investigated by density functional theory (DFT) and molecular dynamics (MD) simulations. We studied coarse-grained…

Soft Condensed Matter · Physics 2019-09-04 Jiarul Midya , Sergei A. Egorov , Kurt Binder , Arash Nikoubashman