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Open AccessArticle

Molecular Dynamics Simulations of Crystal Nucleation near Interfaces in Incompatible Polymer Blends

Department of Chemistry, Dartmouth College, Hanover, NH 03755, USA
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Author to whom correspondence should be addressed.
Academic Editor: Alexis Darras
Polymers 2021, 13(3), 347; https://doi.org/10.3390/polym13030347
Received: 31 December 2020 / Revised: 17 January 2021 / Accepted: 19 January 2021 / Published: 22 January 2021
(This article belongs to the Special Issue Complex Fluids and Interfaces)
We apply molecular dynamics (MD) simulations to investigate crystal nucleation in incompatible polymer blends under deep supercooling conditions. Simulations of isothermal nucleation are performed for phase-separated blends with different degrees of incompatibility. In weakly segregated blends, slow and incompatible chains in crystallizable polymer domains can significantly hinder the crystal nucleation and growth. When a crystallizable polymer is blended with a more mobile species in interfacial regions, enhanced molecular mobility leads to the fast growth of crystalline order. However, the incubation time remains the same as that in pure samples. By inducing anisotropic alignment near the interfaces of strongly segregated blends, phase separation also promotes crystalline order to grow near interfaces between different polymer domains. View Full-Text
Keywords: crystallization; phase separation; interfaces; molecular dynamics simulations crystallization; phase separation; interfaces; molecular dynamics simulations
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MDPI and ACS Style

Zhang, W.; Zou, L. Molecular Dynamics Simulations of Crystal Nucleation near Interfaces in Incompatible Polymer Blends. Polymers 2021, 13, 347. https://doi.org/10.3390/polym13030347

AMA Style

Zhang W, Zou L. Molecular Dynamics Simulations of Crystal Nucleation near Interfaces in Incompatible Polymer Blends. Polymers. 2021; 13(3):347. https://doi.org/10.3390/polym13030347

Chicago/Turabian Style

Zhang, Wenlin; Zou, Lingyi. 2021. "Molecular Dynamics Simulations of Crystal Nucleation near Interfaces in Incompatible Polymer Blends" Polymers 13, no. 3: 347. https://doi.org/10.3390/polym13030347

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