Dresden 2017 – wissenschaftliches Programm
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 Hartmann2 — 1Faculty 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.
 Nabavi et al., Soft Matter 12, 2047 (2016)  Nabavi et al., Phys. Rev. E 91, 032603 (2015)