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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.


