Molecular Dynamics Study of Star Polymer Melts under Start-up Shear

Dong-Dong Wang; Kai-Feng Yu; Xiao-Lei Xu; Wen-Sheng Xu

doi:10.1007/s10118-022-2700-x

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Molecular Dynamics Study of Star Polymer Melts under Start-up Shear

RESEARCH ARTICLE | Updated：2022-06-22

- Molecular Dynamics Study of Star Polymer Melts under Start-up Shear
- Chinese Journal of Polymer Science Vol. 40, Issue 7, Pages: 807-816(2022)
- Affiliations：
  
  a.Key Laboratory of Automobile Materials, Ministry of Education and College of Materials Science and Engineering, Jilin University, Changchun 130025, China
  b.State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China
- Author bio：
  
  xlxu@ciac.ac.cn (X.L.X.)
  wsxu@ciac.ac.cn (W.S.X.)
- Funds：
- DOI：10.1007/s10118-022-2700-x
  CLC：
- Received：27 December 2021，
  
  Revised：2022-1-13，
  
  Accepted：21 January 2022，
  
  Online First：18 March 2022，
  
  Published：01 July 2022
- Accepted：
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Wang, D. D.; Yu, K. F.; Xu, X. L.; Xu, W. S. Molecular dynamics study of star polymer melts under start-up shear. Chinese J. Polym. Sci. 2022, 40, 807–816

Dong-Dong Wang, Kai-Feng Yu, Xiao-Lei Xu, et al. Molecular Dynamics Study of Star Polymer Melts under Start-up Shear[J]. Chinese Journal of Polymer Science, 2022, 40(7): 807-816.
Wang, D. D.; Yu, K. F.; Xu, X. L.; Xu, W. S. Molecular dynamics study of star polymer melts under start-up shear. Chinese J. Polym. Sci. 2022, 40, 807–816 DOI： 10.1007/s10118-022-2700-x.

Dong-Dong Wang, Kai-Feng Yu, Xiao-Lei Xu, et al. Molecular Dynamics Study of Star Polymer Melts under Start-up Shear[J]. Chinese Journal of Polymer Science, 2022, 40(7): 807-816. DOI： 10.1007/s10118-022-2700-x.

摘要

We study the response of star polymer melts having variable arm numbers to start-up shear flow via nonequilibrium molecular dynamics simulation. This work reports the unusual rheological response of star polymers with a large number of arms to start-up shear.

Abstract

It has been established that star polymers with a large number of arms display both the conventional chain relaxation and a slower interchain relaxation due to the formation of hard cores

which is called the local structural relaxation. Here

we demonstrate that this unique relaxation property of multi-arm stars leads to unusual rheological behaviors. We study the response of star polymer melts with various arm numbers to start-up shear flow

via

nonequilibrium molecular dynamics simulation. Our simulation results indicate that the stress-strain response of multi-arm star polymer melts differs from that of star polymers with a small number of arms in both quantitative and qualitative manners. While the multi-arm star polymer melts exhibit an overshoot peak in the stress-strain curve both at relatively small and sufficiently large shear rates

two overshoot peaks appear when the flow strength is comparable to the relaxation time of the star polymers. This double stress overshoot is absent in linear polymers and star polymers with a small number of arms and is evidently related to the presence of the local structural relaxation in star polymers with a large number of arms. We present a detailed analysis of the conformational and dynamical properties of star polymer melts under start-up shear to gain a molecular understanding of their stress response.

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references

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