Bulletin of the American Physical Society
APS March Meeting 2024
Monday–Friday, March 4–8, 2024; Minneapolis & Virtual
Session A33: Liquid Crystalline and Semicrystalline Polymers
8:00 AM–11:00 AM,
Monday, March 4, 2024
Room: 102E
Sponsoring
Unit:
DPOLY
Chair: Michelle Calabrese, University of Minnesota
Abstract: A33.00006 : Molecular Dynamics Simulations of Flow Induced Crystallization of a Simple Polymer Melt Model*
9:24 AM–9:36 AM
Presenter:
Tzortzis Koulaxizis
(University of Illinois at Urbana-Champaign)
Authors:
Tzortzis Koulaxizis
(University of Illinois at Urbana-Champaign)
Antonia Statt
(University of Illinois at Urbana-Champaign)
Our study focuses on the role of shear flow in the orientation and alignment of model polymer melts without chemical detail, and the nematic order developed in these melts. Using a dissipative particle dynamics (DPD)-type model, we conduct molecular dynamics simulations and investigate the effect of polydispersity and entanglements in the crystallization of polymer melts. We quantify the extent of crystallization under different flow strength and attempt to gain insights in the rate of crystallization, pre-cursor nuclei, and the overall morphology of polydisperse semi-crystalline melts.
*This work was funded by the American Chemical Society (PRF 65444-DNI7)
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