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We present experimental results on knotting in off-lattice self-avoiding polygons in the bead-chain model. Using Clisby's tree data structure and the scale-free pivot algorithm, for each $k$ between $10$ and $27$ we generated $2^{43-k}$…

We define the knotting probability of a knot $K$ by the probability for a random polygon (RP) or self-avoiding polygon (SAP) of $N$ segments having the knot type $K$. We show fundamental and generic properties of the knotting probability…

软凝聚态物质 · 物理学 2017-10-11 Erica Uehara , Tetsuo Deguchi

The knotting probability is defined by the probability with which an $N$-step self-avoiding polygon (SAP) with a fixed type of knot appears in the configuration space. We evaluate these probabilities for some knot types on a simple cubic…

统计力学 · 物理学 2009-11-07 Akihisa Yao , Hiroshi Matsuda , Hiroshi Tsukahara , Miyuki K. Shimamura , Tetsuo Deguchi

Several nontrivial properties are shown for the mean square radius of gyration $R_K^2$ of ring polymers with a fixed knot type K. Through computer simulation, we discuss both finite-size and asymptotic behaviors of the gyration radius under…

软凝聚态物质 · 物理学 2009-11-07 Miyuki K. Shimamura , Tetsuo Deguchi

The probability of a random polygon (or a ring polymer) having a knot type $K$ should depend on the complexity of the knot $K$. Through computer simulation using knot invariants, we show that the knotting probability decreases exponentially…

软凝聚态物质 · 物理学 2009-11-07 Miyuki K. Shimamura , Tetsuo Deguchi

The size of a zero thickness (no excluded volume) polymer ring is shown to scale with chain length $N$ in the same way as the size of the excluded volume (self-avoiding) linear polymer, as $N^{\nu}$, where $\nu \approx 0.588$. The…

软凝聚态物质 · 物理学 2009-10-31 Alexander Yu. Grosberg

We give two different, statistically consistent definitions of the length l of a prime knot tied into a polymer ring. In the good solvent regime the polymer is modelled by a self avoiding polygon of N steps on cubic lattice and l is the…

统计力学 · 物理学 2015-06-25 B. Marcone , E. Orlandini , A. L. Stella , F. Zonta

Stochastic simulations are used to characterize the knotting distributions of random ring polymers confined in spheres of various radii. The approach is based on the use of multiple Markov chains and reweighting techniques, combined with…

软凝聚态物质 · 物理学 2009-11-11 C. Micheletti , D. Marenduzzo , E. Orlandini , D. W. Sumners

We consider the probability of knotting in equilateral random polygons in Euclidean 3-dimensional space, which model, for instance, random polymers. Results from an extensive Monte Carlo dataset of random polygons indicate a universal…

统计力学 · 物理学 2022-04-15 A. Xiong , A. J. Taylor , M. R. Dennis , S. G. Whittington

We present computer simulations to examine probability distributions of gyration radius for the no-thickness closed polymers of N straight segments of equal length. We are particularly interested in the conditional distributions when the…

软凝聚态物质 · 物理学 2007-05-23 N. T. Moore , R. Lua , A. Y. Grosberg

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…

统计力学 · 物理学 2015-05-27 E. J. Janse van Rensburg , A. Rechnitzer

In thermally fluctuating long linear polymeric chain in solution, the ends come from time to time into a direct contact or a close vicinity of each other. At such an instance, the chain can be regarded as a closed one and thus will form a…

生物物理 · 物理学 2007-05-23 Akos Dobay , Pierre-Edouard Sottas , Jacques Dubochet , Andrzej Stasiak

We present a computer simulation study of the compact self-avoiding loops as regards their length and topological state. We use a Hamiltonian closed path on the cubic-shaped segment of a 3D cubic lattice as a model of a compact polymer. The…

软凝聚态物质 · 物理学 2007-05-23 R. C. Lua , N. T. Moore , A. Yu. Grosberg

By performing Monte Carlo sampling of $N$-steps self-avoiding polygons embedded on different Bravais lattices we explore the robustness of universality in the entropic, metric and geometrical properties of knotted polymer rings. In…

统计力学 · 物理学 2013-01-21 Marco Baiesi , Enzo Orlandini

A physical interpretation of the rope simulated by the SONO algorithm is presented. Properties of the tight polygonal knots delivered by the algorithm are analyzed. An algorithm for bounding the ropelength of a smooth inscribed knot is…

计算物理 · 物理学 2009-09-29 Justyna Baranska , Piotr Pieranski , Eric J. Rawdon

We show that the average size of self-avoiding polygons (SAP) with a fixed knot is much larger than that of no topological constraint if the excluded volume is small and the number of segments is large. We call it topological swelling. We…

软凝聚态物质 · 物理学 2018-01-17 Erica Uehara , Tetsuo Deguchi

The work addresses the analogy between trivial knotting and excluded volume in looped polymer chains of moderate length, $N<N_0$, where the effects of knotting are small. A simple expression for the swelling seen in trivially knotted loops…

软凝聚态物质 · 物理学 2007-05-23 N. T. Moore , A. Y. Grosberg

An analysis of extensive simulations of interacting self-avoiding polygons on cubic lattice shows that the frequencies of different knots realized in a random, collapsed polymer ring decrease as a negative power of the ranking order, and…

统计力学 · 物理学 2007-08-21 M. Baiesi , E. Orlandini , A. L. Stella

We study several related models of self-avoiding polygons in a tubular subgraph of the simple cubic lattice, with a particular interest in the asymptotics of the knotting statistics. Polygons in a tube can be characterised by a finite…

统计力学 · 物理学 2020-03-04 Nicholas R. Beaton , Jeremy W. Eng , Christine E. Soteros

An explicit expression is derived for the scattering function of a self-avoiding polymer chain in a $d$-dimensional space. The effect of strength of segment interactions on the shape of the scattering function and the radius of gyration of…

统计力学 · 物理学 2007-05-23 A. D. Drozdov
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