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Data and code from: Random knotting in very long off-lattice self-avoiding polygons

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DataONE2026-01-30 更新2026-02-07 收录
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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 n between 10 and 27, we generated 243–n&nbsp;polygons of size 2*n*. Using a new knot diagram simplification and invariant-free knot classification code, we were able to determine the precise knot type of each polygon. The results show that the number of prime summands of knot type K in a random n-gon is very well described by a Poisson distribution. We estimate the characteristic length of knotting as 656,500 ± 2500. We also make new calculations for knotting rates and amplitude ratios of knot probabilities. We find that our calculations agree quite well with previous on-lattice computations. Our results support the idea of knot localization and the knot entropy conjecture. , , # Data and code from: Random knotting in very long off-lattice self-avoiding polygons Dataset DOI: [10.5061/dryad.zpc866tnv](https://doi.org/10.5061/dryad.zpc866tnv) ## Description of the data and file structure Files are stored in plain text formats. ### Files and variables #### mean_number_of_summands_and_tv_distance_to_poisson.tsv This tab-separated file contains computed values of *λ~K~(n)*, our estimate of the expected number of factors of knot type *K* in a random self-avoiding *n*-gon, together with standard errors and total variation (TV) distance from the empirical distribution to the Poisson distribution with the same mean. #### <K>_observed_summands.tsv These tab-separated files contain observation data for the number of *N*-gons with *m* summands of knot type *K*. In each file, the first entry of each row is *N*, and the remaining entries list the various observed *m*'s and the number of polygons with that many factors of *K*. For example, the file `5_2_observed_sum...,

本研究针对珠链模型中的非格点自回避多边形(off-lattice self-avoiding polygons)打结现象,报告相关实验结果。我们采用Clisby树数据结构与无标度枢轴算法,针对10至27区间内的每个n,生成了尺寸为2n的243–n个多边形。我们通过全新的纽结图简化与无不变量纽结分类代码,可精准确定每个多边形的纽结类型。研究结果显示,随机n边形中属于纽结类型K的素合成分支数目,可通过泊松分布(Poisson distribution)实现高精度拟合。我们估算得到打结特征长度为656500 ± 2500。我们还针对打结速率与纽结概率的振幅比开展了全新计算,结果表明本次计算结果与此前的格点计算结果吻合度良好。本研究结果为纽结定域化假说与纽结熵猜想提供了实证支撑。 数据与代码来源:《超长非格点自回避多边形中的随机纽结》 数据集DOI:[10.5061/dryad.zpc866tnv](https://doi.org/10.5061/dryad.zpc866tnv) ### 数据与文件结构说明 所有文件均以纯文本格式存储。 #### 文件与变量说明 ##### mean_number_of_summands_and_tv_distance_to_poisson.tsv 该制表符分隔文件包含λ_K(n)的计算值——即随机自回避n边形中属于纽结类型K的合成分支数的期望估计值,同时附带标准误与经验分布相对于同均值泊松分布的总变差(total variation, TV)距离。 ##### <K>_observed_summands.tsv 此类制表符分隔文件存储了含有m个纽结类型K合成分支的N边形的观测数据。每个文件的每行首项为N,其余条目依次列出各类观测得到的m值,以及对应具有该数量K合成分支的多边形数目。例如,文件`5_2_observed_sum...,`
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2026-01-31
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