1,165 research outputs found

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

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    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

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    In this paper the number and lengths of minimal length lattice knots confined to slabs of width LL, 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

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    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

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    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

    Partially directed paths in a wedge

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    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=±pXY = \pm pX, and an asymmetric wedge defined by the lines Y=pXY= pX and Y=0, where p>0p > 0 is an integer. We prove that the growth constant for all these models is equal to 1+21+\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=1p=1. From these we find asymptotic formulas for the number of partially directed paths of length nn in a wedge when p=1p=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 θ\theta-functions, and have natural boundaries on the unit circle.Comment: 26 pages, 5 figures. Submitted to JCT

    A simple model of a vesicle drop in a confined geometry

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    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

    Adsorbed self-avoiding walks subject to a force

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    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

    Forcing Adsorption of a Tethered Polymer by Pulling

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    We present an analysis of a partially directed walk model of a polymer which at one end is tethered to a sticky surface and at the other end is subjected to a pulling force at fixed angle away from the point of tethering. Using the kernel method, we derive the full generating function for this model in two and three dimensions and obtain the respective phase diagrams. We observe adsorbed and desorbed phases with a thermodynamic phase transition in between. In the absence of a pulling force this model has a second-order thermal desorption transition which merely gets shifted by the presence of a lateral pulling force. On the other hand, if the pulling force contains a non-zero vertical component this transition becomes first-order. Strikingly, we find that if the angle between the pulling force and the surface is beneath a critical value, a sufficiently strong force will induce polymer adsorption, no matter how large the temperature of the system. Our findings are similar in two and three dimensions, an additional feature in three dimensions being the occurrence of a reentrance transition at constant pulling force for small temperature, which has been observed previously for this model in the presence of pure vertical pulling. Interestingly, the reentrance phenomenon vanishes under certain pulling angles, with details depending on how the three-dimensional polymer is modeled
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