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Published June 11, 2019 | Supplemental Material
Journal Article Open

Nonlinear Rheological Behaviors in Polymer Melts after Step Shear


Using molecular dynamics simulation, we investigate the evolution of chain conformation, stress relaxation, and fracture for a polymer melt between two walls after step shear. We find that the characteristic overlap time for the reduced relaxation moduli and the time that the stretched primitive chain retracts to its equilibrium length are both much longer than the Rouse time. Importantly, we observe significant fracture-like flow after shear cessation. While there is considerable randomness in the location of the fracture plane and the magnitude of displacement from sample to sample, our analysis suggests that the randomness is not due to thermal noise, but may reflect inherent structural and dynamic heterogeneity in the entangled polymer network.

Additional Information

© 2019 American Chemical Society. Received: February 25, 2019; Revised: April 30, 2019; Published: May 22, 2019. This work was supported by the National Natural Science Foundation of China (grant nos. 21790340, 21334007, and 21674113), the Key Research Program of Frontier Sciences, CAS (grant no. QYZDY-SSW-SLH027), and Jilin Scientific and Technological Development Program (grant no. 20180519001JH). Y.L. acknowledges the Youth Innovation Promotion Association of CAS (grant no. 2016204) for financial support. The authors declare no competing financial interest.

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Supplemental Material - ma9b00392_si_003.mpg


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