We study the structure and dynamics of semidilute solutions of semiflexible polymers at rest and under shear using hybrid molecular dynamics simulations that take hydrodynamic …
SH Jeong, S Cho, C Baig - Polymer, 2023 - Elsevier
We present detailed scaling characteristics of the chain rotation dynamics in shear flow for melt and dilute linear polymer systems using extensive atomistic and coarse-grained …
P Kumar, I Saha Dalal - Macromolecular Theory and …, 2022 - Wiley Online Library
Recent studies indicate the importance of using bead‐rod models for polymer chains, resolving to a single Kuhn step, especially in strong flows. Earlier, researchers suggested …
P Kumar, S Jana, H Shyam… - … Theory and Simulations, 2023 - Wiley Online Library
The suitability of dissipative particle dynamics simulations is investigated to predict the dynamics of polymer chains in dilute polymer solutions. The authors find that the predictions …
Although the nonequilibrium behavior of polymer solutions is generally well understood, particularly in extensional flow, there remain several unanswered questions for dilute …
P Kumar, IS Dalal - Journal of Non-Newtonian Fluid Mechanics, 2023 - Elsevier
A reasonably accurate representation of a polymer chain is provided by beads connected with rods, or stiff, inextensible springs that mimic a single Kuhn step. Due to high …
S Dutta, CE Sing - The Journal of Chemical Physics, 2024 - pubs.aip.org
We study the dynamics of bottlebrush polymer molecules in dilute solutions subjected to shear and uniaxial extensional flows using Brownian dynamics simulations with …
W Chen, H Zhao, L Liu, J Chen, Y Li, L An - Soft Matter, 2015 - pubs.rsc.org
A ring polymer is a classical model to explore the behaviors of biomacromolecules. Compared with its linear counterpart in shear flow, the ring polymer should be more …
The computational efficiency of Brownian dynamics (BD) simulation of the constrained model of a polymeric chain (bead-rod) with n beads and in the presence of hydrodynamic …