SKM 2023 – wissenschaftliches Programm

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DY: Fachverband Dynamik und Statistische Physik

DY 42: Poster: Active Matter, Soft Matter, Fluids

DY 42.5: Poster

Donnerstag, 30. März 2023, 13:00–16:00, P1

Markov state modelling of self-assembling active triblock Janus particles — •Salman Fariz Navas, Juri Schubert, and Sabine H.L. Klapp — ITP, Technische Universität Berlin, Germany

Active triblock Janus particles have been shown to form open-cell colloidal lattices in both experiments as well as simulations. Such structures are of particular interest owing to their novel optical and mechanical properties. However, the self-assembly of open-cell lattices is a multistep process involving the formation of many intermediate competing structures resulting in long time-scales.

Here, we develop a Markov State Model for a self-assembling active triblock Janus particle system [1] from particle resolved Brownian Dynamics simulations by reducing the continuous many particle dynamics into a discrete set of states [2],[3]. We use the local order parameters introduced in [4] to develop the discrete states. The transition probability matrix between these states can then be constructed using which, information regarding the metastable states, the relaxation times and the pathways relevant to the aggregation process can be extracted.

[1] S. A. Mallory and A. Cacciuto, J. Am. Chem. Soc. 141, 2500 (2019).

[2] J.-H. Prinz, H. Wu, M. Sarich, B. Keller, M. Senne, M. Held, J. D. Chodera, C. Schütte, and F. Noé, J. Chem. Phys. 134, 174105 (2011).

[3] S.F. Navas and S.H.L. Klapp, in preparation.

[4] H. Eslami, P. Sedaghat, and F. Müller-Plathe, Phys. Chem. Chem. Phys. 20, 27059 (2018).