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Characteristics of relaxed density profile and conformation of polymer chains are studied by a Monte Carlo simulation on a discrete lattice in three dimensions using different segmental (kink-jump $K$, crank-shaft $C$, reptation $R$)…

Soft Condensed Matter · Physics 2007-05-23 Frank W. Bentrem , Jun Xie , R. B. Pandey

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

We consider equilibrium relaxation properties of the end-to-end distance and of principal components in a one-dimensional polymer chain model with nonlinear interaction between the beads. While for the single-well potentials these…

Soft Condensed Matter · Physics 2015-05-13 S. Fugmann , I. M. Sokolov

Using molecular dynamics simulations, we study dynamics of a model polymer melt composed of short chains with bead number N=10 in supercooled states. In quiescent conditions, the stress relaxation function $G(t)$ is calculated, which…

Soft Condensed Matter · Physics 2009-11-07 Ryoichi Yamamoto , Akira Onuki

Taking into account the nonequivalence of fixed-force and fixed-length ensembles in the weak-force regime, equations of state are derived that describe the equilibrium extension or compression of an ideal Gaussian polymer chain in response…

Soft Condensed Matter · Physics 2007-05-23 Richard M. Neumann

The conformations of topologically constrained double-folded ring polymers can be described as wrappings of randomly branched primitive trees. We extend previous work on the tree statistics under different (solvent) conditions to explore…

Soft Condensed Matter · Physics 2019-01-23 Angelo Rosa , Ralf Everaers

Motivated by the recent experimental observations of the DNA loop extrusion by protein motors, in this paper we investigate the statistical properties of the growing polymer loops within the ideal chain model. The loop conformation is…

Statistical Mechanics · Physics 2021-04-30 Dmitry Starkov , Vladimir Parfenyev , Sergey Belan

Using molecular dynamics simulation of a standard bead-spring model we investigate the density crossover scaling of strictly two-dimensional self-avoiding polymer chains focusing on properties related to the contact exponent set by the…

Soft Condensed Matter · Physics 2015-06-03 N. Schulmann , H. Meyer , J. P. Wittmer , A. Johner , J. Baschnagel

We investigate the conformational and dynamical properties of a partially active Rouse chain, where activity is localized within a specific segment, positioned at various locations along the chain and spanning any given length. Through…

Soft Condensed Matter · Physics 2024-12-06 Koushik Goswami , Norman Hsia , Cheng-Hung Chang , Hong-Yan Shih

Randomly branching polymers with {\em annealed} connectivity are model systems for ring polymers and chromosomes. In this context, the branched structure represents transient folding induced by topological constraints. Here we present…

Statistical Mechanics · Physics 2016-11-03 Angelo Rosa , Ralf Everaers

We study asymptotic properties of diffusion and other transport processes (including self-avoiding walks and electrical conduction) on large randomly branched polymers using renormalized dynamical field theory. We focus on the swollen phase…

Statistical Mechanics · Physics 2015-06-04 Hans-Karl Janssen , Olaf Stenull

A comparative simulation study of polymer brushes formed by grafting at a planar surface either flexible linear polymers (chain length $N_L$) or (non-catenated) ring polymers (chain length $N_R=2 N_L$) is presented. Two distinct off-lattice…

Soft Condensed Matter · Physics 2015-05-28 Daniel Reith , Andrey Milchev , Peter Virnau , Kurt Binder

We consider flexible branched polymer, with quenched branch structure, and show that its conformational entropy as a function of its gyration radius $R$, at large $R$, obeys, in the scaling sense, $\Delta S \sim R^2/(a^2L)$, with $a$ bond…

Statistical Mechanics · Physics 2015-09-02 Alexander Y. Grosberg , Sergei K. Nechaev

We consider two complementary polymer strands of length $L$ attached by a common end monomer. The two strands bind through complementary monomers and at low temperatures form a double stranded conformation (zipping), while at high…

Statistical Mechanics · Physics 2015-03-19 Jean-Charles Walter , Alessandro Ferrantini , Enrico Carlon , Carlo Vanderzande

While Flory theories provide an extremely useful framework for understanding the behavior of interacting, randomly branching polymers, the approach is inherently limited. Here we use a combination of scaling arguments and computer…

Statistical Mechanics · Physics 2017-01-18 Angelo Rosa , Ralf Everaers

By means of computer simulations and solution of the equations of the Mode Coupling Theory (MCT), we investigate the role of the intramolecular barriers on several dynamic aspects of non-entangled polymers. The investigated dynamic range…

Soft Condensed Matter · Physics 2015-05-18 Marco Bernabei , Angel J. Moreno , Emanuela Zaccarelli , Francesco Sciortino , Juan Colmenero

We revisit a model of semiflexible Gaussian chains proposed by Winkler \textit{et al}, solve the dynamics of the discrete description of the model and derive exact algebraic expressions for some of the most relevant dynamical observables,…

Soft Condensed Matter · Physics 2022-11-02 Andres R. Tejedor , Jaime R. Tejedor , Jorge Ramirez

Using a coarse-grained bead-spring model for semi-flexible macromolecules forming a polymer brush, structure and dynamics of the polymers is investigated, varying chain stiffness and grafting density. The anchoring condition for the grafted…

Soft Condensed Matter · Physics 2014-01-28 Andrey Milchev , Kurt Binder

We study the static and dynamical properties of a harmonically confined Rouse polymer coupled to a fluctuating correlated medium, which affect each other reciprocally during their stochastic evolution. The medium is modeled by a scalar…

Soft Condensed Matter · Physics 2025-10-09 Pietro Luigi Muzzeddu , Davide Venturelli , Andrea Gambassi

Polymers are an effective test-bed for studying topological constraints in condensed matter due to a wide array of synthetically-available chain topologies. When linear and ring polymers are blended together, emergent rheological properties…

Soft Condensed Matter · Physics 2024-04-25 Daniel L. Vigil , Ting Ge , Michael Rubinstein , Thomas C. O'Connor , Gary S. Grest