Stable knots in the phase diagram of semiflexible polymers: A topological order parameter?

29th Workshop on Recent Developments in Computer Simulation Studies in Condensed Matter Physics

物理学;计算机科学

Janke, Wolfhard^1 ; Marenz, Martin^1

Institut für Theoretische Physik, Universität Leipzig, Postfach 100 920, Leipzig

04009, Germany^1

关键词: Coarse-grained;    Multicanonical;    Replica exchange simulation;    Semi-flexible polymers;    Stick model;    Topological order;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/750/1/012006/pdf
DOI  :  10.1088/1742-6596/750/1/012006

学科分类：计算机科学（综合）

来源: IOP

【 摘 要 】

We report a recent computer simulation study of the phase diagram of a single semiflexible polymer chain using a generic coarse-grained bead-stick model. The results are obtained with a combination of multicanonical and replica-exchange simulations. Interestingly, we find in the temperature-stiffness plane well-defined phases that can be characterized by stable knots of various types. We discuss how the knots can be observed and to what extent they can be interpreted as "topological order parameter". Another surprising observation concerns the peculiar transitions into these stable knot phases which will be also explained.