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Shear Banding in Entangled Polymers: Stress Plateau, Banding Location, and Lever Rule

Ruan, Yongjin and Lu, Yuyuan and An, Lijia and Wang, Zhen-Gang (2021) Shear Banding in Entangled Polymers: Stress Plateau, Banding Location, and Lever Rule. ACS Macro Letters, 10 (12). pp. 1517-1523. ISSN 2161-1653. doi:10.1021/acsmacrolett.1c00518. https://resolver.caltech.edu/CaltechAUTHORS:20211201-231210047

[img] PDF (Simulation details for the Kremer–Grest model; evolution of stress and velocity profiles; three special transient velocity profiles; determination of the shear rates in the fast and slow bands and the location of the band interface; ...) - Supplemental Material
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[img] Video (MPEG) (Motion of the center of mass of polymer chains at Wi = 319) - Supplemental Material
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[img] PDF (Lammps in-file for the Kremer–Grest model) - Supplemental Material
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Abstract

Using molecular dynamics simulation, we study shear banding of entangled polymer melts under a steady shear. The steady shear stress vs shear rate curve exhibits a plateau spanning nearly two decades of shear rates in which shear banding is observed, and the steady shear stress remains unchanged after switching the shear rates halfway in the range of shear rates within the plateau region. In addition, we find strong correlation in the location of the shear bands between different shear rates starting from the same microstate configurations at equilibrium, which suggests the importance of the inherent structural heterogeneity in the entangled polymer network for shear banding. Furthermore, for the steady shear bands persisting to the longest simulated time of 9.0τ_(d0) (disengagement time), the shear rate in the slow band and the relative proportion of the bands do not change very much with the increase of imposed shear rate, but the shear rate in the fast band increases approximately in proportion to the imposed shear rates, in contradiction to the lever rule.


Item Type:Article
Related URLs:
URLURL TypeDescription
https://doi.org/10.1021/acsmacrolett.1c00518DOIArticle
ORCID:
AuthorORCID
Ruan, Yongjin0000-0002-8323-4018
Lu, Yuyuan0000-0002-4073-678X
Wang, Zhen-Gang0000-0002-3361-6114
Additional Information:© 2021 American Chemical Society. Received: August 10, 2021; Accepted: November 11, 2021; Published: November 15, 2021. We thank Drs. S.-Q. Wang, B. Khomami, and J. Cao for helpful correspondences about their work and thank the anonymous reviewers whose constructive comments have helped improve the presentation of our work. Y. Lu and L. An acknowledge the National Natural Science Foundation of China (grant nos. 21790340, 22073092, 21674113, and 21334007) and the Programs of Chinese Academy of Sciences (grant nos. QYZDY-SSW-SLH027 and YJKYYQ20190084) for financial support. Z.-G. Wang acknowledges financial support from the Hong Kong Quantum AI Lab Ltd. Y. Ruan thanks Dr. R. Graham and Dr. J. Ramirez for helpful discussions on the GLaMM model and Dr. M. Kröger for help with the Z1 code. The authors declare no competing financial interest.
Funders:
Funding AgencyGrant Number
National Natural Science Foundation of China21790340
National Natural Science Foundation of China22073092
National Natural Science Foundation of China21674113
National Natural Science Foundation of China21334007
Chinese Academy of SciencesQYZDY-SSW-SLH027
Chinese Academy of SciencesYJKYYQ20190084
Hong Kong Quantum AI LabUNSPECIFIED
Subject Keywords:Stress, Physical and chemical properties, Equilibrium, Molecular dynamics simulations, Polymers
Issue or Number:12
DOI:10.1021/acsmacrolett.1c00518
Record Number:CaltechAUTHORS:20211201-231210047
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20211201-231210047
Official Citation:Shear Banding in Entangled Polymers: Stress Plateau, Banding Location, and Lever Rule. Yongjin Ruan, Yuyuan Lu, Lijia An, and Zhen-Gang Wang. ACS Macro Letters 2021 10 (12), 1517-1523; DOI: 10.1021/acsmacrolett.1c00518
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:112156
Collection:CaltechAUTHORS
Deposited By: George Porter
Deposited On:02 Dec 2021 19:15
Last Modified:22 Dec 2021 17:39

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