BFACF-style algorithms for polygons in the body-centered and face-centered cubic lattices

In this paper the elementary moves of the BFACF-algorithm for lattice polygons are generalised to elementary moves of BFACF-style algorithms for lattice polygons in the body-centred (BCC) and face-centred (FCC) cubic lattices. We prove that the ergodicity classes of these new elementary moves coincide with the knot types of unrooted polygons in the BCC and FCC lattices and so expand a similar result for the cubic lattice. Implementations of these algorithms for knotted polygons using the GAS algorithm produce estimates of the minimal length of knotted polygons in the BCC and FCC lattices

Lattice Knots in a Slab

In this paper the number and lengths of minimal length lattice knots confined to slabs of width $L$, is determined. Our data on minimal length verify the results by Sharein et.al. (2011) for the similar problem, expect in a single case, where an improvement is found. From our data we construct two models of grafted knotted ring polymers squeezed between hard walls, or by an external force. In each model, we determine the entropic forces arising when the lattice polygon is squeezed by externally applied forces. The profile of forces and compressibility of several knot types are presented and compared, and in addition, the total work done on the lattice knots when it is squeezed to a minimal state is determined

Minimal knotted polygons in cubic lattices

An implementation of BFACF-style algorithms on knotted polygons in the simple cubic, face centered cubic and body centered cubic lattice is used to estimate the statistics and writhe of minimal length knotted polygons in each of the lattices. Data are collected and analysed on minimal length knotted polygons, their entropy, and their lattice curvature and writhe

The Compressibility of Minimal Lattice Knots

The (isothermic) compressibility of lattice knots can be examined as a model of the effects of topology and geometry on the compressibility of ring polymers. In this paper, the compressibility of minimal length lattice knots in the simple cubic, face centered cubic and body centered cubic lattices are determined. Our results show that the compressibility is generally not monotonic, but in some cases increases with pressure. Differences of the compressibility for different knot types show that topology is a factor determining the compressibility of a lattice knot, and differences between the three lattices show that compressibility is also a function of geometry.Comment: Submitted to J. Stat. Mec

Adsorbed self-avoiding walks subject to a force

We consider a self-avoiding walk model of polymer adsorption where the adsorbed polymer can be desorbed by the application of a force. In this paper the force is applied normal to the surface at the last vertex of the walk. We prove that the appropriate limiting free energy exists where there is an applied force and a surface potential term, and prove that this free energy is convex in appropriate variables. We then derive an expression for the limiting free energy in terms of the free energy without a force and the free energy with no surface interaction. Finally we show that there is a phase boundary between the adsorbed phase and the desorbed phase in the presence of a force, prove some qualitative properties of this boundary and derive bounds on the location of the boundary

A simple model of a vesicle drop in a confined geometry

We present the exact solution of a two-dimensional directed walk model of a drop, or half vesicle, confined between two walls, and attached to one wall. This model is also a generalisation of a polymer model of steric stabilisation recently investigated. We explore the competition between a sticky potential on the two walls and the effect of a pressure-like term in the system. We show that a negative pressure ensures the drop/polymer is unaffected by confinement when the walls are a macroscopic distance apart

Partially directed paths in a wedge

The enumeration of lattice paths in wedges poses unique mathematical challenges. These models are not translationally invariant, and the absence of this symmetry complicates both the derivation of a functional recurrence for the generating function, and solving for it. In this paper we consider a model of partially directed walks from the origin in the square lattice confined to both a symmetric wedge defined by $Y = \pm pX$, and an asymmetric wedge defined by the lines $Y= pX$ and Y=0, where $p > 0$ is an integer. We prove that the growth constant for all these models is equal to $1+\sqrt{2}$, independent of the angle of the wedge. We derive functional recursions for both models, and obtain explicit expressions for the generating functions when $p=1$. From these we find asymptotic formulas for the number of partially directed paths of length $n$ in a wedge when $p=1$. The functional recurrences are solved by a variation of the kernel method, which we call the ``iterated kernel method''. This method appears to be similar to the obstinate kernel method used by Bousquet-Melou. This method requires us to consider iterated compositions of the roots of the kernel. These compositions turn out to be surprisingly tractable, and we are able to find simple explicit expressions for them. However, in spite of this, the generating functions turn out to be similar in form to Jacobi $\theta$-functions, and have natural boundaries on the unit circle.Comment: 26 pages, 5 figures. Submitted to JCT

On the universality of knot probability ratios

Let $p_n$ denote the number of self-avoiding polygons of length $n$ on a regular three-dimensional lattice, and let $p_n(K)$ be the number which have knot type $K$. The probability that a random polygon of length $n$ has knot type $K$ is $p_n(K)/p_n$ and is known to decay exponentially with length. Little is known rigorously about the asymptotics of $p_n(K)$, but there is substantial numerical evidence that $p_n(K)$ grows as $p_n(K) \simeq \, C_K \, \mu_\emptyset^n \, n^{\alpha-3+N_K}$, as $n \to \infty$, where $N_K$ is the number of prime components of the knot type $K$. It is believed that the entropic exponent, $\alpha$, is universal, while the exponential growth rate, $\mu_\emptyset$, is independent of the knot type but varies with the lattice. The amplitude, $C_K$, depends on both the lattice and the knot type. The above asymptotic form implies that the relative probability of a random polygon of length $n$ having prime knot type $K$ over prime knot type $L$ is $\frac{p_n(K)/p_n}{p_n(L)/p_n} = \frac{p_n(K)}{p_n(L)} \simeq [ \frac{C_K}{C_L} ]$. In the thermodynamic limit this probability ratio becomes an amplitude ratio; it should be universal and depend only on the knot types $K$ and $L$. In this letter we examine the universality of these probability ratios for polygons in the simple cubic, face-centered cubic, and body-centered cubic lattices. Our results support the hypothesis that these are universal quantities. For example, we estimate that a long random polygon is approximately 28 times more likely to be a trefoil than be a figure-eight, independent of the underlying lattice, giving an estimate of the intrinsic entropy associated with knot types in closed curves.Comment: 8 pages, 6 figures, 1 tabl