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We study structural properties of a ring polymeric melt confined in a film in comparison to a linear counterpart using molecular dynamics simulations. Local structure orderings of ring and linear polymers in the vicinity of the surface are…

Soft Condensed Matter · Physics 2015-10-21 Eunsang Lee , YounJoon Jung

The conformational statistics of ring polymers in melts or dense solutions is strongly affected by their quenched microscopic topological state. The effect is particularly strong for non-concatenated unknotted rings, which are known to…

Soft Condensed Matter · Physics 2015-06-17 Angelo Rosa , Ralf Everaers

The interplay of topological constraints, excluded volume interactions, persistence length and dynamical entanglement length in solutions and melts of linear chains and ring polymers is investigated by means of kinetic Monte Carlo…

Statistical Mechanics · Physics 2009-10-31 M. Mueller , J. P. Wittmer , J. -L. Barrat

Unconcatenated, unknotted polymer rings in the melt are subject to strong interactions with neighboring chains due to the presence of topological constraints. We study this by computer simulation using the bond-fluctuation algorithm for…

Statistical Mechanics · Physics 2009-10-31 M. Mueller , J. P. Wittmer , M. E. Cates

The effects of entanglement in solutions and melts of unknotted ring polymers have been addressed by several theoretical and numerical studies. The system properties have been typically profiled as a function of ring contour length at fixed…

Soft Condensed Matter · Physics 2011-11-29 Angelo Rosa , Enzo Orlandini , Luca Tubiana , Cristian Micheletti

We propose a simple mean-field theory for the structure of ring polymer melts. By combining the notion of topological volume fraction and a classical van der Waals theory of fluids, we take into account many body effects of topological…

Soft Condensed Matter · Physics 2015-05-27 Takahiro Sakaue

Current theories on the conformation and dynamics of unknotted and non-concatenated ring polymers in melt conditions describe each ring as a tree-like double-folded object. While evidence from simulations supports this picture on a single…

Soft Condensed Matter · Physics 2022-12-02 Mattia Alberto Ubertini , Jan Smrek , Angelo Rosa

We investigate with numerical simulations the influence of topology and stiffness on macroscopic rheological properties of polymer melts consisting of unknotted, knotted or concatenated rings. While melts of flexible, knotted oligomer rings…

Soft Condensed Matter · Physics 2024-10-18 Ranajay Datta , Peter Virnau

Molecular dynamics simulations were conducted to investigate the structural properties of melts of nonconcatenated ring polymers and compared to melts of linear polymers. The longest rings were composed of N=1600 monomers per chain which…

Soft Condensed Matter · Physics 2011-05-02 Jonathan D. Halverson , Won Bo Lee , Gary S. Grest , Alexander Y. Grosberg , Kurt Kremer

Motivated by recent observations that non-concatenated ring polymers in their dense solution exhibit a glass-like dynamics, we propose a free volume description of the motion of such rings based on the notion of topological volume. We first…

Soft Condensed Matter · Physics 2018-10-03 Takahiro Sakaue

The conformational statistics of ring polymers in melts or dense solutions is strongly affected by their quenched microscopic topological state. The effect is particularly strong for untangled (i.e. non-concatenated and unknotted) rings,…

Soft Condensed Matter · Physics 2019-03-14 Raoul D. Schram , Angelo Rosa , Ralf Everaers

Dynamical properties of a long polymer ring in a melt of unknotted and unconcatenated rings are calculated. We re-examine and generalize the well known model of a ring confined to a lattice of topological obstacles in the light of the…

Soft Condensed Matter · Physics 2015-06-22 Jan Smrek , Alexander Y. Grosberg

The interplay of topological constraints and persistence length of ring polymers in their own melt is investigated by means of dynamical Monte Carlo simulations of a three dimensional lattice model. We ask if the results are consistent with…

Statistical Mechanics · Physics 2009-10-31 M. Muller , J. P. Wittmer , M. E. Cates

Molecular dynamics simulations were conducted to investigate the dynamic properties of melts of nonconcatenated ring polymers and compared to melts of linear polymers. The longest rings were composed of N=1600 monomers per chain which…

Soft Condensed Matter · Physics 2011-05-02 Jonathan D. Halverson , Won Bo Lee , Gary S. Grest , Alexander Y. Grosberg , Kurt Kremer

The size of rings (also called cyclic polymers) in bidisperse blends of chemically identical rings is analyzed by computer simulations. Data of entangled ring blends and blends of interpenetrating rings are compared and it is shown that the…

Soft Condensed Matter · Physics 2021-03-31 Michael Lang

Large scale molecular dynamics simulations on graphic processing units (GPUs) are employed to study the scaling behavior of ring polymers with various topological constraints in melts. Typical sizes of rings containing $3_1$, $5_1$ knots…

Soft Condensed Matter · Physics 2015-09-04 Benjamin Trefz , Peter Virnau

Elucidating the physics of a concentrated suspension of ring polymers, or of an ensemble of ring polymers in a complex environment, is an important outstanding question in polymer physics. Many of the characteristic features of these…

Soft Condensed Matter · Physics 2017-08-09 Davide Michieletto , Enzo Orlandini , Davide Marenduzzo , Matthew S. Turner

The viscous flow of polymer chains in dense melts is dominated by topological constraints whenever the single chain contour length, N, becomes larger than the characteristic scale Ne, defining comprehensively the macroscopic rheological…

Soft Condensed Matter · Physics 2023-07-19 Mattia Alberto Ubertini , Angelo Rosa

The miscibility of polymer blends, a classical problem in polymer science, may be altered, if one or both of the component do not have chain ends. Based on the idea of {\it topological volume}, we propose a mean-field theory to clarify how…

Soft Condensed Matter · Physics 2016-05-04 Takahiro Sakaue , Chihiro H. Nakajima

Polymers are an effective test-bed for studying topological constraints in condensed matter due to a wide array of synthetically-available chain topologies. When linear and ring polymers are blended together, emergent rheological properties…

Soft Condensed Matter · Physics 2024-04-25 Daniel L. Vigil , Ting Ge , Michael Rubinstein , Thomas C. O'Connor , Gary S. Grest
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