Exploring Nonlinear Rheological Behaviors in Entangled Semi-flexible Polymer Melts

LC Ma and YJ Ruan and ZH Wang and YY Lu and LJ An, CHINESE JOURNAL OF POLYMER SCIENCE, 42, 1811-1823 (2024).

DOI: 10.1007/s10118-024-3162-0

This study utilizes molecular dynamics simulation to investigate the complex dynamics of entangled semi-flexible polymer melts. The investigation reveals a significant stress overshoot phenomenon in the systems, demonstrating the intricate interplay between shear rates, chain orientation, and chain stretching dynamics. Additionally, the identification of metastable states, characterized by a dual-plateau phenomenon in the shear stress-strain curve at specific Rouse- Weissenberg number Wi(R), showcases the system's responsiveness to external perturbations and its transition to stable shear banding states. Moreover, the analysis of flow field deviations uncovers a progression of shear bands with increasing Wi(R), displaying distinct behaviors in the system's dynamics under different shear rates and chain lengths. These findings challenge established theoretical frameworks and advocate for refined modelling approaches in polymer rheology research.

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