Bulletin of the American Physical Society
2023 APS March Meeting
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session B05: Nonequilibrium Structures and Dynamics of Polymeric Materials I
11:30 AM–2:18 PM,
Monday, March 6, 2023
Room: Room 128
Sponsoring
Unit:
DPOLY
Chair: Antonio Faraone, National Institute of Standards and Technology
Abstract: B05.00008 : Flow-induced configuration microphase separation and crystallization of entangled polyethylene under uniaxial extensional flows
1:18 PM–1:30 PM
Presenter:
Bamin Khomami
(University of Tennessee)
Authors:
Mohammad Hadi Nafar Sefiddashti
(University of Tennessee)
Brian J Edwards
(University of Tennessee)
Bamin Khomami
(University of Tennessee)
Collaboration:
MRAIL
In this work, we studied the same entangled PE melt under UEF via NEMD simulations and directly compared the flow response of C1000H2002 under PEF and UEF at similar extension rates (expressed in terms of Rouse Deborah number, De.) These simulations revealed that under UEF, the entangled melts undergo a qualitatively similar coil-stretch transition and configurational microphase separation, within the roughly same range of flow strength as that in PEF. Furthermore, the melt experienced flow-induced crystallization (FIC) at De > 9 and a temperature of 450 K, 50 K above the quiescent melting point. Overall, the comparison of PEF and UEF simulations suggests that entangled melts exhibit similar responses to these extensional flows. This is important as the computational costs of UEF simulations are significantly higher than PEF simulations.
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