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 pn,L(K) is the number of conformations of a lattice polygon of length n and knot type K in a cube of volume L3, 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 01), is rho n,L(K/01) = pn,L(K)/pn,L(01). We determine rho n,L(K/01) 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 phi = 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 phi along a curve that flattens as the Hamiltonian state is approached.

Janse Van Rensburg, E.J., Orlandini, E., Tesi, M.C. (2025). Relative knot probabilities in confined lattice polygons. PHYSICAL REVIEW. E, 111(6), 065406-1-065406-12 [10.1103/PhysRevE.111.065406].

Relative knot probabilities in confined lattice polygons

Tesi M. C.
Membro del Collaboration Group
2025

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 pn,L(K) is the number of conformations of a lattice polygon of length n and knot type K in a cube of volume L3, 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 01), is rho n,L(K/01) = pn,L(K)/pn,L(01). We determine rho n,L(K/01) 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 phi = 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 phi along a curve that flattens as the Hamiltonian state is approached.
2025
Janse Van Rensburg, E.J., Orlandini, E., Tesi, M.C. (2025). Relative knot probabilities in confined lattice polygons. PHYSICAL REVIEW. E, 111(6), 065406-1-065406-12 [10.1103/PhysRevE.111.065406].
Janse Van Rensburg, E. J.; Orlandini, E.; Tesi, M. C.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/1028639
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