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Computer simulations of melts of ring polymers with nonconserved topology: A dynamic Monte Carlo lattice model

Ubertini, M. A.
•
Rosa, A.
2021
  • journal article

Periodico
PHYSICAL REVIEW. E
Abstract
We present computer simulations of a dynamic Monte Carlo algorithm for polymer chains on a fcc lattice which explicitly takes into account the possibility to overcome topological constraints by controlling the rate at which nearby polymer strands may cross through each other. By applying the method to systems of interacting ring polymers at melt conditions, we characterize their structure and dynamics by measuring, in particular, the amounts of knots and links which are formed during the relaxation process. In comparison with standard melts of unknotted and unconcatenated rings, our simulations demonstrate that the mechanism of strand crossing makes polymer dynamics faster provided the characteristic timescale of the process is smaller than the typical timescale for chain relaxation in the unperturbed state, in agreement with recent experiments employing solutions of DNA rings in the presence of the type II topoisomerase enzyme. In the opposite case of slow rates the melt is shown to become slower, and this prediction may be easily validated experimentally.
DOI
10.1103/PhysRevE.104.054503
WOS
WOS:000720935300008
Archivio
http://hdl.handle.net/20.500.11767/126309
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85119970869
Diritti
closed access
Soggetti
  • Polymer physic

  • ring polymer

  • entanglement

  • Monte Carlo simulatio...

  • Settore FIS/03 - Fisi...

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