Berlin 2024 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 29: Gels, Polymer Networks and Elastomers II

CPP 29.3: Talk

Wednesday, March 20, 2024, 15:30–15:45, H 0106

Probing the microstructure properties of soft magnetic polymer hybrid materials using simulations — •Chinmay Pabshettiwar, Patrick Kreissl, Christian Holm, and Rudolf Weeber — Institute for Computational Physics, University of Stuttgart(US)

Embedding magnetic nanoparticles within a polymer hydrogel results in materials combining magnetic and viscoelastic properties, making them promising candidates for engineering and biomedical applications[1, 2]. Due to wide range of applications, it is essential to understand the coupling between magnetic nanoparticles and polymers and its effect on mechano-elastic properties. Experimentally, this is studied by analyzing the frequency-dependent magnetic susceptibility. In our study, we model this approach using computer simulations combining coarse-grained molecular dynamics and Lattice-Boltzmann hydrodynamics. Using such simulations, it is possible to switch on specific interactions, such as magnetic, steric, van der Waals, or hydrodynamic, individually. Hence, their influence on nanoparticle-polymer coupling can be studied. Using this technique, in our contribution, we study the effect of the hydrogel's mesh size on the magnetic relaxation behaviour of the nanoparticles. We compare different interaction potentials between the nanoparticle and the polymer chains. Furthermore, we obtain the AC susceptibility spectrum from the Green-Kubo approach[3] by analyzing the thermal fluctuation spectrum of magnetization in the absence of an external field.

References : [1] Filipcsei et al., 2010 [2] Weeber et al., 2018 [3] Kreissl et al., 2021

Keywords: ferrogel; Magnetic nanoparticle; Polymer; Rheology; Hybrid material