Molecular dynamics simulation study of nonconcatenated ring polymers in a melt. I. Statics

JD Halverson, WB Lee, GS Grest… - The Journal of …, 2011 - pubs.aip.org
Molecular dynamics simulations were conducted to investigate the structural properties of
melts of nonconcatenated ring polymers and compared to melts of linear polymers. The …

Statistical and dynamical properties of topological polymers with graphs and ring polymers with knots

T Deguchi, E Uehara - Polymers, 2017 - mdpi.com
We review recent theoretical studies on the statistical and dynamical properties of polymers
with nontrivial structures in chemical connectivity and those of polymers with a nontrivial …

Melt structure and dynamics of unentangled polyethylene rings: Rouse theory, atomistic molecular dynamics simulation, and comparison with the linear analogues

G Tsolou, N Stratikis, C Baig, PS Stephanou… - …, 2010 - ACS Publications
Atomistic configurations of model unentangled ring polyethylene (PE) melts ranging in chain
length from C24 up to C400 have been subjected to detailed molecular dynamics (MD) …

Chain dynamics of ring and linear polyethylene melts from molecular dynamics simulations

K Hur, C Jeong, RG Winkler, N Lacevic, RH Gee… - …, 2011 - ACS Publications
The dynamical characteristics of ring and linear polyethylene (PE) molecules in the melt
have been studied by employing atomistic molecular dynamics simulations for linear PEs …

Slowing Down of Ring Polymer Diffusion Caused by Inter‐Ring Threading

E Lee, S Kim, YJ Jung - Macromolecular Rapid …, 2015 - Wiley Online Library
Diffusion of long ring polymers in a melt is much slower than the reorganization of their
internal structures. While direct evidence for entanglements has not been observed in the …

Dimension of ring polymers in bulk studied by Monte-Carlo simulation and self-consistent theory

J Suzuki, A Takano, T Deguchi… - The Journal of chemical …, 2009 - pubs.aip.org
We studied equilibrium conformations of ring polymers in melt over the wide range of
segment number N of up to 4096 with Monte-Carlo simulation and obtained N dependence …

Effects of topological constraints on globular polymers

MV Imakaev, KM Tchourine, SK Nechaev, LA Mirny - Soft matter, 2015 - pubs.rsc.org
Topological constraints can affect both equilibrium and dynamic properties of polymer
systems and can play a role in the organization of chromosomes. Despite many theoretical …

Size and dynamics of a tracer ring polymer embedded in a linear polymer chain melt matrix

J Mo, J Wang, Z Wang, Y Lu, L An - Macromolecules, 2022 - ACS Publications
Using dynamic Monte Carlo simulations based on the bond-fluctuation model, we
systematically investigate the static and dynamic properties of a tracer ring polymer in a melt …

Concentration dependence of ring polymer conformations from Monte Carlo simulations

SY Reigh, DY Yoon - ACS Macro Letters, 2013 - ACS Publications
The concentration dependence of the conformations of ring polymers is investigated by
lattice Monte Carlo simulations and compared with that of linear polymers. The relative radii …

Counting polymer knots to find the entanglement length

J Qin, ST Milner - Soft Matter, 2011 - pubs.rsc.org
Uncrossability of polymer chains in a melt gives rise to a restricted transverse motion of
chains, which is represented by a confining “tube”. Ultimately, the tube must be of …