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The work addresses the analogy between trivial knotting and excluded volume in looped polymer chains of moderate length, $N<N_0$, where the effects of knotting are small. A simple expression for the swelling seen in trivially knotted loops…

Soft Condensed Matter · Physics 2007-05-23 N. T. Moore , A. Y. Grosberg

The ropelength problem asks for the minimum-length configuration of a knotted diameter-one tube embedded in Euclidean three-space. The core curve of such a tube is called a tight knot, and its length is a knot invariant measuring…

Differential Geometry · Mathematics 2016-01-20 Jason Cantarella , Joseph H. G. Fu , Robert Kusner , John M. Sullivan

We develop off-lattice simulations of semiflexible polymer chains subjected to applied mechanical forces using Markov Chain Monte Carlo. Our approach models the polymer as a chain of fixed-length bonds, with configurations updated through…

Soft Condensed Matter · Physics 2024-11-26 Lijie Ding , Chi-Huan Tung , Bobby G. Sumpter , Wei-Ren Chen , Changwoo Do

Linear polymers are represented as chains of hopping reptons and their motion is described as a stochastic process on a lattice. This admittedly crude approximation still catches essential physics of polymer motion, i.e. the universal…

Statistical Mechanics · Physics 2015-05-18 J. M. J. van Leeuwen , Andrzej Drzewinski

We study the thermodynamic properties of a semiflexible polymer confined inside strips of widths L<=9 defined on a square lattice. The polymer is modeled as a self-avoiding walk and a short range interaction between the monomers and the…

Statistical Mechanics · Physics 2007-05-23 Jurgen F. Stilck

We describe a new method for determining proper motions of extended objects, and a pipeline developed for the application of this method. We then apply this method to an analysis of four epochs of [S~II] HST images of the HH~1 jet (covering…

The classical bond-fluctuation model (BFM) is an efficient lattice Monte Carlo algorithm for coarse-grained polymer chains where each monomer occupies exclusively a certain number of lattice sites. In this paper we propose a generalization…

Soft Condensed Matter · Physics 2009-08-12 J. P. Wittmer , A. Cavallo , T. Kreer , J. Baschnagel , A. Johner

Using the pruned-enriched Rosenbluth Monte Carlo algorithm, the scattering functions of semiflexible macromolecules in dilute solution under good solvent conditions are estimated both in $d=2$ and $d=3$ dimensions, considering also the…

Soft Condensed Matter · Physics 2015-06-11 Hsiao-Ping Hsu , Wolfgang Paul , Kurt Binder

A ring polymer in a confining space may exhibit at least two phases, namely an expanded (or solvent-rich phase) if its concentration is small, or a collapsed (or polymer-rich phase) when it is concentrated and compressed. These phases are…

Soft Condensed Matter · Physics 2026-03-24 EJ Janse van Rensburg , E Orlandini , MC Tesi

We prove the fractal crumpled structure of collapsed unknotted polymer ring. In this state the polymer chain forms a system of densely packed folds, mutually separated in all scales. The proof is based on the numerical and analytical…

Statistical Mechanics · Physics 2007-05-23 Sergei Nechaev , Oleg Vasilyev

Spontaneous formation of knots in long polymers at equilibrium is inevitable but becomes rare in sufficiently short chains. Here, we show that knotting and knot complexity increase by orders of magnitude in diblock polymers with a fraction…

Soft Condensed Matter · Physics 2024-07-11 Marin Vatin , Enzo Orlandini , Emanuele Locatelli

The phase behavior of rodlike molecules with polydisperse length and solvent-mediated attraction and repulsion is described by an extension of the Onsager theory for rigid rods. A phenomenological square-well potential is used to model…

Soft Condensed Matter · Physics 2015-05-13 Micah J. Green , A. Nicholas G. Parra-Vasquez , Natnael Behabtu , Matteo Pasquali

We construct a micromechanical version of an early model for topologically constrained polymers -- a 2D chain amongst point-like uncrossable obstacles -- which allows us to explicitly elucidate the role of topological forces beyond…

Soft Condensed Matter · Physics 2022-07-13 Ahmad K. Omar , Yuyuan Lu , Lijia An , Zhen-Gang Wang

An end-grafted flexible polymer chain in 3d space between two pistons undergoes an abrupt transition from a confined coil to a flower-like conformation when the number of monomers in the chain, N, reaches a critical value. In 2d geometry,…

Statistical Mechanics · Physics 2009-11-13 Hsiao-Ping Hsu , Kurt Binder , Leonid I. Klushin , Alexander M. Skvortsov

We give a lower bound on the diffusion coefficient of a polymer chain in an entanglement network with kinematic disorder, which is obtained from an exact calculation in a modified Rubinstein-Duke lattice gas model with periodic boundary…

Soft Condensed Matter · Physics 2009-11-07 Richard D. Willmann

We give statistical definitions of the length, l, of a loose prime knot tied into a long, fluctuating ring macromolecule. Monte Carlo results for the equilibrium, good solvent regime show that < l > ~ N^t, where N is the ring length and t ~…

Statistical Mechanics · Physics 2009-11-10 B. Marcone , E. Orlandini , A. L. Stella , F. Zonta

We use Brownian dynamics simulations and advanced topological profiling methods to characterize the out-of-equilibrium evolution of self-entanglement in linear polymers confined into nano-channels and under periodic compression. We…

Soft Condensed Matter · Physics 2020-06-22 Davide Michieletto , Enzo Orlandini , Matthew S Turner , Cristian Micheletti

Polymer ejection from nano-confinement has been of interest due to its relation to various fundamental sciences and applications. However, the ejection dynamics of a polymer with different persistence lengths from confinement through a…

Soft Condensed Matter · Physics 2023-06-13 Farzaneh Moazemi , Samaneh Ghanbari-Kashan , Narges Nikoofard

We consider random walk model of a semi-flexible polymer chain on a square and a cubic lattice to enumerate conformations of the polymer chain in two and three dimensions, respectively. The bending energy of the chain is assumed as the key…

Soft Condensed Matter · Physics 2020-08-04 Pramod Kumar Mishra

We present a theoretical description of the dynamics of a semi-flexible polymer being pulled through a nanopore by an external force acting at the pore. Our theory is based on the tensile blob picture of Pincus in which the front of the…

Statistical Mechanics · Physics 2015-09-16 Pui-Man Lam , Yi Zhen