ArticleACS polymers Au2023
Unraveling the Glass-like Dynamic Heterogeneity in Ring Polymer Melts: From Semiflexible to Stiff Chain.
Article in ACS polymers Au, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed, 8 citations in OpenAlex.
- Actively Induced Supercoiling Can Slow Down Plasmid Solutions by Trapping the Threading Entanglements.ACS nano · 2026Article
- Structure of Stacked Aggregates of Semiflexible Rings Under Spherical Confinement: A Computational Study.Polymers · 2026Article
- Microstructure, Polymer Dynamics, Polymer-Nanoparticle Interactions, and Rheology of Biodegradable Polylactic Acid Nanocomposites with Cellulose Nanocrystals: A Microscopic Perspective.Macromolecules · 2025Article
- Unified understanding of the impact of semiflexibility, concentration, and molecular weight on macromolecular-scale ring diffusion.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
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Abstract
Ring polymers are an intriguing class of polymers with unique physical properties, and understanding their behavior is important for developing accurate theoretical models. In this study, we investigate the effect of chain stiffness and monomer density on the static and dynamic behaviors of ring polymer melts using molecular dynamics simulations. Our first focus is on the non-Gaussian parameter of center-of-mass displacement as a measure of dynamic heterogeneity, which is commonly observed in glass-forming liquids. We find that the non-Gaussianity in the displacement distribution increases with the monomer density and stiffness of the polymer chains, suggesting that excluded volume interactions between centers of mass have a strong effect on the dynamics of ring polymers. We then analyze the relationship between the radius of gyration and monomer density for semiflexible and stiff ring polymers. Our results indicate that the relationship between the two varies with chain stiffness, which can be attributed to the competition between repulsive forces inside the ring and from adjacent rings. Finally, we study the dynamics of bond-breakage virtually connected between the centers of mass of rings to analyze the exchanges of intermolecular networks of bonds. Our results demonstrate that the dynamic heterogeneity of bond-breakage is coupled with the non-Gaussianity in ring polymer melts, highlighting the importance of the bond-breaking method in determining the intermolecular dynamics of ring polymer melts. Overall, our study sheds light on the factors that govern the dynamic behaviors of ring polymers.
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