Li-Cheng Ma, Yong-Jin Ruan, Zhen-Hua Wang, Yu-Yuan Lu, Li-Jia An
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引用次数: 0
Abstract
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 WiR, 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 WiR, 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.
本研究利用分子动力学模拟来研究缠结半柔性聚合物熔体的复杂动力学。研究揭示了系统中显著的应力过冲现象，证明了剪切速率、链取向和链拉伸动力学之间错综复杂的相互作用。此外，在特定的罗兹-韦森伯格数 WiR 下，剪切应力-应变曲线上出现了双高原现象，这表明了系统对外部扰动的响应能力以及向稳定剪切带状状态的过渡。此外，对流场偏差的分析发现，随着 WiR 的增加，剪切带也会逐渐增加，这表明在不同的剪切速率和链长条件下，系统的动力学行为各不相同。这些发现对既有的理论框架提出了挑战，并倡导在聚合物流变学研究中采用精细的建模方法。
期刊介绍：
Chinese Journal of Polymer Science (CJPS) is a monthly journal published in English and sponsored by the Chinese Chemical Society and the Institute of Chemistry, Chinese Academy of Sciences. CJPS is edited by a distinguished Editorial Board headed by Professor Qi-Feng Zhou and supported by an International Advisory Board in which many famous active polymer scientists all over the world are included. The journal was first published in 1983 under the title Polymer Communications and has the current name since 1985.
CJPS is a peer-reviewed journal dedicated to the timely publication of original research ideas and results in the field of polymer science. The issues may carry regular papers, rapid communications and notes as well as feature articles. As a leading polymer journal in China published in English, CJPS reflects the new achievements obtained in various laboratories of China, CJPS also includes papers submitted by scientists of different countries and regions outside of China, reflecting the international nature of the journal.
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