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Open AccessArticle

Topological Disentanglement of Linear Polymers under Tension

1
Institut für Theoretische Physik, Universität Innsbruck, Technikerstraße 21A, A-6020 Innsbruck, Austria
2
Istituto Tecnico Economico Tecnologico Statale ‘L. Einaudi’, via Tommaso D’Aquino 8, I-36061 Bassano del Grappa, Italy
3
Dipartimento di Fisica e Astronomia and Sezione INFN Università di Padova, Via Marzolo 8, I-35131 Padova, Italy
*
Author to whom correspondence should be addressed.
Polymers 2020, 12(11), 2580; https://doi.org/10.3390/polym12112580
Received: 16 October 2020 / Revised: 30 October 2020 / Accepted: 30 October 2020 / Published: 3 November 2020
(This article belongs to the Special Issue Semiflexible Polymers II)
We develop a theoretical description of the topological disentanglement occurring when torus knots reach the ends of a semiflexible polymer under tension. These include decays into simpler knots and total unknotting. The minimal number of crossings and the minimal knot contour length are the topological invariants playing a key role in the model. The crossings behave as particles diffusing along the chain and the application of appropriate boundary conditions at the ends of the chain accounts for the knot disentanglement. Starting from the number of particles and their positions, suitable rules allow reconstructing the type and location of the knot moving on the chain Our theory is extensively benchmarked with corresponding molecular dynamics simulations and the results show a remarkable agreement between the simulations and the theoretical predictions of the model. View Full-Text
Keywords: physical knots; topological disentanglement; knot diffusion physical knots; topological disentanglement; knot diffusion
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MDPI and ACS Style

Caraglio, M.; Marcone, B.; Baldovin, F.; Orlandini, E.; Stella, A.L. Topological Disentanglement of Linear Polymers under Tension. Polymers 2020, 12, 2580. https://doi.org/10.3390/polym12112580

AMA Style

Caraglio M, Marcone B, Baldovin F, Orlandini E, Stella AL. Topological Disentanglement of Linear Polymers under Tension. Polymers. 2020; 12(11):2580. https://doi.org/10.3390/polym12112580

Chicago/Turabian Style

Caraglio, Michele; Marcone, Boris; Baldovin, Fulvio; Orlandini, Enzo; Stella, Attilio L. 2020. "Topological Disentanglement of Linear Polymers under Tension" Polymers 12, no. 11: 2580. https://doi.org/10.3390/polym12112580

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