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Issue 14, 2016
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Mathematical model suitable for efficient simulation of thin semi-flexible polymers in complex environments

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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

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Article information


Submitted
23 Dec 2015
Accepted
28 Feb 2016
First published
01 Mar 2016

This article is Open Access

Soft Matter, 2016,12, 3360-3387
Article type
Paper

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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