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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

  • This article is part of the themed collection: Polymers
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Publication details

The article was received on 23 Dec 2015, accepted on 28 Feb 2016 and first published on 01 Mar 2016


Article type: Paper
DOI: 10.1039/C5SM03106K
Soft Matter, 2016,12, 3360-3387
  • Open access: Creative Commons BY license
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    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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