Issue 14, 2016

Mathematical model suitable for efficient simulation of thin semi-flexible polymers in complex environments

Abstract

We present an alternative approach to simulations of semi-flexible polymers. In contrast with the usual bead-rod compromise between bead-spring and rigid rod models, we use deformable cylindrical segments as basic units of the polymer. The length of each segment is not preserved with end points diffusing under constraints keeping the polymer chain nature intact. The model allows the simulation of tension transport and elasticity properties. In particular we describe a new cooperative regime in the relaxation of the polymer from its fully elongated configuration.

Graphical abstract: Mathematical model suitable for efficient simulation of thin semi-flexible polymers in complex environments

Article information

Article type
Paper
Submitted
23 Dec 2015
Accepted
28 Feb 2016
First published
01 Mar 2016
This article is Open Access
Creative Commons BY license

Soft Matter, 2016,12, 3360-3387

Mathematical model suitable for efficient simulation of thin semi-flexible polymers in complex environments

J. Pešek, P. Baerts, B. Smeets, C. Maes and H. Ramon, Soft Matter, 2016, 12, 3360 DOI: 10.1039/C5SM03106K

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