Berlin 2024 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 9: Crystallization, Nucleation and Self-Assembly II
CPP 9.5: Vortrag
Montag, 18. März 2024, 16:15–16:30, H 2032
Influence of Cross-Linking and Deformation on Polymer Crystallization and Melting — Huzaifa Shabbir1, Michael Lang1, •Marco Werner1, and Jens-Uwe Sommer1,2 — 1Institut Theorie der Polymere, Leibniz-Institut für Polymerforschung Dresden e.V., Dresden, Germany — 2Institute für Theoretische Physik, Technische Universität Dresden, Germany
We investigate the influence of the degree of cross-linking and deformation on polymer crystallization and melting behavior by means of molecular dynamics simulations. The crystallization and melting are carried out in constant strain conditions. Different properties such as specific volume, crystallinity, orientation order, and stress are studied as a function of temperature. These properties serve as key indicators, offering insights into both the microscopic and macroscopic behavior of the polymer system during the processes of crystallization and melting. Our simulation data confirms that deformation in the melt induces a pre-alignment of polymer chains in the direction of deformation, acting as a driving force for early crystallization in the deformed system. Additionally, we observe that higher degrees of deformation lead to an increase in stem length within the system, consequently higher temperatures are required for complete melting. The crystallinity exhibits an increasing and decreasing behavior in response to higher degrees of deformation and cross-linking, respectively. These findings have implications for tailoring material properties through controlled deformation and cross-linking, offering opportunities for the design of polymers with programmed mechanical response.
Keywords: stretching; strain; gel; network; crystallinity