Simple models for complex nonequilibrium fluids

M Kröger - Physics reports, 2004 - Elsevier
This review is concerned with the nonequilibrium dynamics and structure of complex fluids
based on simple micro-and mesoscopic physical models which are not rigorously solvable …

Simulating the flow of entangled polymers

Y Masubuchi - Annual review of chemical and biomolecular …, 2014 - annualreviews.org
To optimize automation for polymer processing, attempts have been made to simulate the
flow of entangled polymers. In industry, fluid dynamics simulations with phenomenological …

Rheology and microscopic topology of entangled polymeric liquids

R Everaers, SK Sukumaran, GS Grest, C Svaneborg… - Science, 2004 - science.org
The viscoelastic properties of high molecular weight polymeric liquids are dominated by
topological constraints on a molecular scale. In a manner similar to that of entangled ropes …

Identifying the primitive path mesh in entangled polymer liquids

SK Sukumaran, GS Grest, K Kremer… - Journal of Polymer …, 2005 - Wiley Online Library
Similar to entangled ropes, polymer chains cannot slide through each other. These
topological constraints, the so‐called entanglements, dominate the viscoelastic behavior of …

Elongational viscosity of narrow molar mass distribution polystyrene

A Bach, K Almdal, HK Rasmussen, O Hassager - Macromolecules, 2003 - ACS Publications
Transient and steady elongational viscosity has been measured for two narrow molar mass
distribution polystyrene melts of molar masses 200 000 and 390 000 by means of a filament …

Primitive path networks generated by annealing and geometrical methods: Insights into differences

S Shanbhag, M Kröger - Macromolecules, 2007 - ACS Publications
Existing methods to obtain the primitive path network for monodisperse, linear polymers in
the molten state are critically compared. A connection is established between the original …

Nature of steady-state fast flow in entangled polymer melts: chain stretching, shear thinning, and viscosity scaling

Z Xu, R Sun, W Lu, S Patil, J Mays, KS Schweizer… - …, 2022 - ACS Publications
Understanding the nonequilibrium dynamics of topologically entangled polymers under
strong external deformation has been a grand challenge in polymer science for more than …

Flow effects on melt structure and entanglement network of linear polymers: Results from a nonequilibrium molecular dynamics simulation study of a polyethylene melt …

C Baig, VG Mavrantzas, M Kroger - Macromolecules, 2010 - ACS Publications
We present detailed results about the structural, conformational, rheo-optical, and
topological properties of an entangled of C400H802 linear polyethylene (PE) melt over a …

Multi-chain slip-spring model for entangled polymer dynamics

T Uneyama, Y Masubuchi - The Journal of chemical physics, 2012 - pubs.aip.org
It has been established that entangled polymer dynamics can be reasonably described by
single chain models such as tube and slip-link models. Although the entanglement effect is a …

Primitive path identification and entanglement statistics in polymer melts: Results from direct topological analysis on atomistic polyethylene models

K Foteinopoulou, NC Karayiannis… - …, 2006 - ACS Publications
A large number of well-equilibrated atomistic configurations of linear, strictly monodisperse
polyethylene (PE) melts of molecular length ranging from C24 up to C1000, obtained …