A study of the entanglement in systems with periodic boundary conditions

E. Panagiotou; C. Tzoumanekas; S. Lambropoulou; K. C. Millett; D. N. Theodorou

doi:10.1143/ptps.191.172

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arXiv · 1011.6651

A study of the entanglement in systems with periodic boundary conditions

E. Panagiotou·C. Tzoumanekas·S. Lambropoulou·K. C. Millett·D. N. Theodorou

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Abstract

We define the local periodic linking number, LK, between two oriented closed or open chains in a system with three-dimensional periodic boundary conditions. The properties of LK indicate that it is an appropriate measure of entanglement between a collection of chains in a periodic system. Using this measure of linking to assess the extent of entanglement in a polymer melt we study the effect of CReTA algorithm on the entanglement of polyethylene chains. Our numerical results show that the statistics of the local periodic linking number observed for polymer melts before and after the application of CReTA are the same.

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E. Panagiotou, C. Tzoumanekas, S. Lambropoulou, K. C. Millett, D. N. Theodorou. 2010-11-30. A study of the entanglement in systems with periodic boundary conditions. https://doi.org/10.1143/ptps.191.172

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