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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 22: Poster Session III - Charged Soft Matter and Theory and Simulation
CPP 22.32: Poster
Mittwoch, 24. März 2021, 16:30–18:30, CPPp
Magneto-mechanical response of nanoscale magnetic filaments — Deniz Mostarac1, Pedro A. Sánchez1,2, and •Sofia Kantorovich1,2 — 1University of Vienna, Vienna, Austria. — 2Ural Federal University, Ekaterinburg, Russia.
Nanoscopic magnetic filaments (MFs) are magnetic, nano-sized colloids, crosslinked into polymer-like linear chains. They are a promising platform for engineering new magnetically controlled filtering and flow control elements in micro-fluidic devices. Recent advances, advocating an assembly mechanism where the structure building instructions are embedded into nanoparticles via DNA origami frames, synthesis of MFs with desirable mechanical properties.[2,3] Using MD simulations we have studied how possible crosslinking scenarios and magnetic nature of monomers (ferromagnetic or super-paramagnetic) influence equilibrium properties of MFs.[4] In this contribution, we elucidate an interesting phenomenology of MFs, by examining their behaviour in a Langevin thermostat (equilibrium properties) and explicit solvent representations using the Lattice Boltzmann method (dynamics in rotating magnetic fields). Magnetization of super-paramagnetic monomers is taken into account in an accurate manner, inclusive of non-linear contributions. [1] Sánchez, P. A., et al. Macromolecules 48.20 (2015): 7658-7669. [2] Liu, W., et al. Nature chemistry 8.9 (2016): 867. [3] Tian, Y., et al. Nature mate- rials 15.6 (2016): 654. [4] Mostarac, D., et al. Nanoscale (2020).