2014/02/02 by Yani Zhao, Zhao, Yani, Franco Ferrari +1
Engineering · Mathematics · Physics and Astronomy · #Advanced Materials and Mechanics #FOS: Physical sciences #Geometric and Algebraic Topology #Soft Condensed Matter (cond-mat.soft) #Theoretical and Computational Physics #cond-mat.soft
paper · pdf · doi:10.48550/arxiv.1402.0195
14 pages, 7 figures, proceedings of the conference ISMC 2013, 15-19 September 2013, Rome, Italy
arxiv created 2014/02/02 · openalex publication_date 2014/02/02 · arxiv updated 2014/02/04 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
In the first part of this work a summary is provided of some recent experiments and theoretical results which are relevant in the research of systems of polymer rings in nontrivial topological conformations. Next, some advances in modeling the behavior of single polymer knots are presented. The numerical simulations are performed with the help of the Wang-Landau Monte Carlo algorithm. To sample the polymer conformation a set of random transformations called pivot moves is used. The crucial problem of preserving the topology of the knots after each move is tackled with the help of two new techniques which are briefly explained. As an application, the results of an investigation of the effects of topology on the thermal properties of polymer knots is reported. In the end, original results are discussed concerning the use of parallelized codes to study polymers knots composed by a large number of segments within the Wang-Landau approach.