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Knots in finite memory walks

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conference contribution
posted on 2024-07-11, 08:51 authored by Eric Horwath, Nathan ClisbyNathan Clisby, Peter Virnau
We investigate the occurrence and size of knots in a continuum polymer model with finite memory via Monte Carlo simulations. Excluded volume interactions are local and extend only to a fixed number of successive beads along the chain, ensuring that at short length scales the excluded volume effect dominates, while at longer length scales the polymer behaves like a random walk. As such, this model may be useful for understanding the behavior of polymers in a melt or semi-dilute solution, where exactly the same crossover is believed to occur. In particular, finite memory walks allow us to investigate the role of local interactions in the transition from highly knotted ideal polymers to almost unknotted self-avoiding polymers. Even though knotting decreases substantially when a few next-nearest neighbor interactions are considered, we find that the knotting probability of a polymer chain of modest length of 500 steps only decays slowly as a function of the range of the excluded volume interaction. In this context, we also find evidence that for length scales up to the interaction length the knotting behavior of the finite memory walk resembles that of a self-avoiding walk (effectively suppressing small knots), while for larger length scales it resembles that of a random walk.

Funding

Computational studies of soft matter

Australian Research Council

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History

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PDF (Published version)

ISSN

1742-6596

Journal title

Journal of Physics Conference Series: 29th Workshop on Recent Developments in Computer Simulation Studies in Condensed Matter Physics, 22–26 February 2016, Georgia, USA

Conference name

29th Workshop on Recent Developments in Computer Simulation Studies in Condensed Matter Physics

Location

Athens

Start date

2016-02-22

End date

2016-02-26

Volume

750

Issue

1

Publisher

Institute of Physics Publishing

Copyright statement

Copyright © 2016 The Author(s). Content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI. Published under licence by IOP Publishing Ltd.

Language

eng

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