SKM 2023 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 2: Modeling and Simulation of Soft Matter I

CPP 2.10: Vortrag

Montag, 27. März 2023, 12:15–12:30, MER 02

Geometrical frustration causes self-limiting assembly in systems of bipods — •Aswathy Muttathukattil and Michael Engel — Institute for Multiscale Simulation, IZNF, Friedrich-Alexander Universität Erlangen-Nürnberg, 91058 Erlangen, Germany

Geometric frustration emerges in self-assembly if local interactions between building blocks are incompatible to form uniform (bulk) materials. Examples for geometrically frustrated assemblies with self-limiting size include protein filament bundles, twisted molecular crystals, bent core liquid-crystals and viral capsids. Despite of significant efforts to develop a general theory on geometrical frustration, it remains as a challenge to use it as a design principle to engineer finite-size equilibrium assemblies in soft matter. In this study, we control geometrical frustration deliberately and systematically in system of bipods to demonstrate self-limiting crystallization. Our minimal computational model consists of a central sphere that connect to two attractive rigid rods diametrically via a flexible hinge. Tuning the flexibility of the hinge and rod attraction, anisotropic fibrillar assemblies are observed. The fibrils do not grow wider than a fixed limit, which can be controlled by the misfit introduced by the radius of central sphere. Our model bipods can be realized in experiments as nanoparticles with tethered polymer bundles, partially unfolded polymer globules (including biopolymers like proteins) and organic molecules.