Challenges in multiscale modeling of polymer dynamics

Y Li, BC Abberton, M Kröger, WK Liu - Polymers, 2013 - mdpi.com
The mechanical and physical properties of polymeric materials originate from the interplay of
phenomena at different spatial and temporal scales. As such, it is necessary to adopt …

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 …

Equation of state based slip spring model for entangled polymer dynamics

GG Vogiatzis, G Megariotis, DN Theodorou - Macromolecules, 2017 - ACS Publications
A mesoscopic, mixed particle-and field-based Brownian dynamics methodology for the
simulation of entangled polymer melts has been developed. Polymeric beads consist of …

Plateau moduli of several single-chain slip-link and slip-spring models

T Uneyama, Y Masubuchi - Macromolecules, 2021 - ACS Publications
We calculate the plateau moduli of several single-chain slip-link and slip-spring models for
entangled polymers. In these models, the entanglement effects are phenomenologically …

Primitive chain network simulation of elongational flows of entangled linear chains: Role of finite chain extensibility

T Yaoita, T Isaki, Y Masubuchi, H Watanabe… - …, 2011 - ACS Publications
For entangled linear monodisperse polymers, uniaxial elongational flow behavior was
examined with the primitive chain network (PCN) simulation, which was originally formulated …

Test of Orientation/Stretch-Induced Reduction of Friction via Primitive Chain Network Simulations for Polystyrene, Polyisoprene, and Poly(n-butyl acrylate)

Y Masubuchi, Y Matsumiya, H Watanabe - Macromolecules, 2014 - ACS Publications
Entanglement dynamics of polymers under fast elongation has not been fully understood.
Namely, the steady-state uniaxial elongational viscosity of entangled polystyrene (PS) …

Origin of stress overshoot under start-up shear in primitive chain network simulation

Y Masubuchi, H Watanabe - ACS Macro Letters, 2014 - ACS Publications
Birefringence measurement demonstrates that the segment orientation of entangled
polymers overshoots on start-up of fast shear [Pearson et al. J. Rheol. 1989 33, 517–535] …

Structure, dimensions, and entanglement statistics of long linear polyethylene chains

K Foteinopoulou, NC Karayiannis, M Laso… - The Journal of …, 2009 - ACS Publications
This work elucidates the effect of both temperature and molecular length on the
conformational and structural properties as well as on the entanglement statistics of long …

Comparison among slip-link simulations of bidisperse linear polymer melts

Y Masubuchi, H Watanabe, G Ianniruberto… - …, 2008 - ACS Publications
Recent simulations of entangled polymer dynamics are based on slip-link models pioneered
by Hua and Schieber (J. Chem. Phys. 1998, 109, 10018). In this study, we compare different …

Entanglement molecular weight

Y Masubuchi, Y Doi, T Uneyama - Nihon Reoroji Gakkaishi, 2020 - jstage.jst.go.jp
In some literature, entanglement molecular weight M e is discussed as a material property
that characterizes magnitudes of entanglement for polymeric liquids. However, M e was …