Relative knot probabilities in confined lattice polygons

In this paper we examine the relative knotting probabilities in a lattice model of ring polymers confined in a cavity. The model is of a lattice knot of size n in the cubic lattice, confined to a cube of side length L and with volume V=(L+1)^{3} sites. We use Monte Carlo algorithms to estimate approximately the number of conformations of lattice knots in the confining cube. If p_{n,L}(K) is the number of conformations of a lattice polygon of length n and knot type K in a cube of volume L^{3}, then the relative knotting probability of a lattice polygon to have knot type K, relative to the probability that the polygon is the unknot (the trivial knot, denoted by 0_{1}), is ρ_{n,L}(K/0_{1})=p_{n,L}(K)/p_{n,L}(0_{1}). We determine ρ_{n,L}(K/0_{1}) for various knot types K up to six crossing knots. Our data show that these relative knotting probabilities are small over a wide range of the concentration φ=n/V of monomers for values of L≤12 so that the model is dominated by unknotted lattice polygons. Moreover, the relative knot probability increases with φ along a curve that flattens as the Hamiltonian state is approached.

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Publication Details

Journal
Physical review. E
Published
2025-06-09
DOI
https://doi.org/10.1103/physreve.111.065406
Primary Topic
Computational Geometry and Mesh Generation
Type
article
Field-Weighted Citation Impact
0.00

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article

Relative knot probabilities in confined lattice polygons

Maria Carla Tesi, E J Janse van Rensburg, Enzo Orlandini
Physical review. E
Computational Geometry and Mesh Generation
article

Relative knot probabilities in confined lattice polygons

Maria Carla Tesi, E J Janse van Rensburg, Enzo Orlandini
article en

Abstract

In this paper we examine the relative knotting probabilities in a lattice model of ring polymers confined in a cavity. The model is of a lattice knot of size n in the cubic lattice, confined to a cube of side length L and with volume V=(L+1)^{3} sites. We use Monte Carlo algorithms to estimate approximately the number of conformations of lattice knots in the confining cube. If p_{n,L}(K) is the number of conformations of a lattice polygon of length n and knot type K in a cube of volume L^{3}, then the relative knotting probability of a lattice polygon to have knot type K, relative to the probability that the polygon is the unknot (the trivial knot, denoted by 0_{1}), is ρ_{n,L}(K/0_{1})=p_{n,L}(K)/p_{n,L}(0_{1}). We determine ρ_{n,L}(K/0_{1}) for various knot types K up to six crossing knots. Our data show that these relative knotting probabilities are small over a wide range of the concentration φ=n/V of monomers for values of L≤12 so that the model is dominated by unknotted lattice polygons. Moreover, the relative knot probability increases with φ along a curve that flattens as the Hamiltonian state is approached.

Physical review. EVol. 111(6)
University of Padua (IT), York University (CA), University of Bologna (IT)
Gruppo Nazionale per l'Analisi Matematica, la Probabilità e le loro Applicazioni, Natural Sciences and Engineering Research Council of Canada
Climate action
Openalex Percentile: Top 77%
Computational Geometry and Mesh Generation
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Relative knot probabilities in confined lattice polygons — Maria Carla Tesi, E J Janse van Rensburg, et al. · Physical review. E (2025) | TGRS Research Map | TGRS