Universal dynamics of dilute and semidilute solutions of flexible linear polymers

JR Prakash - Current opinion in colloid & interface science, 2019 - Elsevier
Experimental observations and computer simulations have recently revealed universal
aspects of polymer solution behaviour that were previously unknown. This progress has …

Effect of chain-penetration on ring shape for mixtures of rings and linear polymers

K Hagita, T Murashima - Polymer, 2021 - Elsevier
Coarse-grained molecular dynamics simulations of Kremer–Grest-type bead-spring models
were performed on mixtures of ring and linear polymers to investigate the effects of chain …

Mathematical classification and rheological properties of ring catenane structures

K Hagita, T Murashima, N Sakata - Macromolecules, 2021 - ACS Publications
The rheological properties of polycatenanes were investigated by coarse-grained molecular
dynamics simulations using the Kremer–Grest-type bead-spring model. To prevent the …

Viscosity overshoot in biaxial elongational flow: Coarse-grained molecular dynamics simulation of ring–linear polymer mixtures

T Murashima, K Hagita, T Kawakatsu - Macromolecules, 2021 - ACS Publications
Viscosity overshoot of entangled polymer melts has been observed under shear flow and
uniaxial elongational flow but has never been observed under biaxial elongational flow. We …

Multi-ring configurations and penetration of linear chains into rings on bonded ring systems and polycatenanes in linear chain matrices

K Hagita, T Murashima - Polymer, 2021 - Elsevier
Ring-linear blends composed of complexes bearing multiple rings are promising candidates
for soft devices, and understanding the penetration of linear chains into rings is essential for …

Coupling finite element method with large scale atomic/molecular massively parallel simulator (LAMMPS) for hierarchical multiscale simulations: Modeling and …

T Murashima, S Urata, S Li - The European Physical Journal B, 2019 - Springer
In this work, we have developed a multiscale computational algorithm to couple finite
element method with an open source molecular dynamics code–the large scale …

Atomistic simulation of flow-induced microphase separation and crystallization of an entangled polyethylene melt undergoing uniaxial elongational flow and the role of …

MH Nafar Sefiddashti, BJ Edwards, B Khomami - Polymers, 2023 - mdpi.com
Atomistic simulations of the linear, entangled polyethylene C1000H2002 melt undergoing
steady-state and startup conditions of uniaxial elongational flow (UEF) over a wide range of …

DeePN: A deep learning-based non-Newtonian hydrodynamic model

L Fang, P Ge, L Zhang, H Lei - arXiv preprint arXiv:2112.14798, 2021 - arxiv.org
A long standing problem in the modeling of non-Newtonian hydrodynamics of polymeric
flows is the availability of reliable and interpretable hydrodynamic models that faithfully …

Microstructural Dynamics of Polymer Melts during Stretching: Radial Size Distribution

MC Hsieh, YH Tsao, YJ Sheng, HK Tsao - Polymers, 2023 - mdpi.com
The transient elongational viscosity η e (t) of the polymer melt is known to exhibit strain
hardening, which depends on the strain rate ε˙. This phenomenon was elucidated by the …

Multiscale simulations for polymer melt spinning process using Kremer–Grest CG model and continuous fluid mechanics model

Y Xu, Y Hamada, T Taniguchi - Journal of Non-Newtonian Fluid Mechanics, 2024 - Elsevier
We succeeded in developing a multiscale s imulation (MSS) method for a spinning process
of a polymer melt. A previous work by Sato and Taniguchi (2017) developed a MSS method …