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Investigation of Crystallization and Relaxation Effects in Coarse-Grained Polyethylene Systems after Uniaxial Stretching

  • In this study, we investigate the thermo-mechanical relaxation and crystallization behavior of polyethylene using mesoscale molecular dynamics simulations. Our models specifically mimic constraints that occur in real-life polymer processing: After strong uniaxial stretching of the melt, we quench and release the polymer chains at different loading conditions. These conditions allow for free or hindered shrinkage, respectively. We present the shrinkage and swelling behavior as well as the crystallization kinetics over up to 600 ns simulation time. We are able to precisely evaluate how the interplay of chain length, temperature, local entanglements and orientation of chain segments influences crystallization and relaxation behavior. From our models, we determine the temperature dependent crystallization rate of polyethylene, including crystallization onset temperature.

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Document Type:Article
Author:Dirk Grommes, Martin R. Schenk, Olaf Bruch, Dirk Reith
Parent Title (English):Polymers
Article Number:4466
Number of pages:19
Place of publication:Basel
Publishing Institution:Hochschule Bonn-Rhein-Sieg
Date of first publication:2021/12/20
Funding:Financial support given by the German Federal Ministry of Education and Research within the project “Ressource Optimized Forming” (ROForm, code: 13FH514KX9) is greatly acknowledged.
Keyword:crystallization; local chain orientation; mesoscale coarse-graining; polyethylene; relaxation; shrinkage; uniaxial stretching
Departments, institutes and facilities:Fachbereich Ingenieurwissenschaften und Kommunikation
Institut für Technik, Ressourcenschonung und Energieeffizienz (TREE)
Projects:FH-Kooperativ 2-2019: Resource Optimized Forming (ROForm) (DE/BMBF/13FH514KX9)
Dewey Decimal Classification (DDC):6 Technik, Medizin, angewandte Wissenschaften / 67 Industrielle Fertigung / 670 Industrielle Fertigung
Open access funding:Hochschule Bonn-Rhein-Sieg / Graduierteninstitut
Entry in this database:2022/01/06
Licence (German):License LogoCreative Commons - CC BY - Namensnennung 4.0 International