Dresden 2017 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 11: Biomaterials

MM 11.6: Vortrag

Montag, 20. März 2017, 13:00–13:15, IFW D

Impact of coordination on the mechanical behavior of polymeric structures — •Huzaifa Shabbir1 and Markus Hartmann21Faculty of Physics, University of Vienna, Boltzmanngasse 5, 1090 Vienna, Austria — 2Faculty of Physics, University of Vienna, Boltzmanngasse 5, 1090 Vienna, Austria

(Reversible) cross-linking is a common strategy to specifically tailor the mechanical properties of polymeric systems. Often, these cross-links are weaker than the covalent bonds holding the structure together. The reversibility of cross-links provides self healing.

In the current study, Monte Carlo simulations are used to study the influence of the coordination of cross-links on the mechanical properties of polymeric systems. In the simulations, the number of monomers participating in one cross-link defines its coordination. Recent theoretical and simulation approaches deal mostly with two fold coordinated cross-links only [1,2]. Here we aim at closing this gap by explicitly manipulating the coordination of cross-links using an effective description with REBO like interactions.

The results show that the presence of cross-links dramatically increase the stiffness and toughness of the investigated structures. Compared to two-fold coordinated structures, three-fold coordinated cross-links show smoother load-displacement curves and show in general a much richer mechanical behavior due to the increased number of possible bond topologies.

[1] Nabavi et al., Soft Matter 12, 2047 (2016) [2] Nabavi et al., Phys. Rev. E 91, 032603 (2015)

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