Dresden 2017 – wissenschaftliches Programm
CPP 65.9: Vortrag
Freitag, 24. März 2017, 12:00–12:15, HÜL 186
Self-Assembly of Rings and Capsids in Hydrodynamic Flow — •Nikolas Schnellbächer1,2, Fabian Fuchs1,2, and Ulrich Schwarz1,2 — 1Institute for Theoretical Physics, Heidelberg University, Germany — 2BioQuant, Heidelberg University, Germany
Patchy particle systems have emerged as useful model systems to investigate protein or colloidal self-assembly, but are usually studied under ideal conditions. We study self-assembly of patchy particles in hydrodynamic flow since this is a typical scenario for many applications and represents an important step towards more complex environments. Solute particles are propagated using Molecular Dynamics (MD) with solute-solute reactions being implemented through reactive patches. Solvent flow is simulated with Multi-Particle Collision Dynamics (MPCD). As paradigmatic examples, we study the assembly of pentagonal rings and icosahedral capsids with and without hydrodynamic flow. We find that there is a strong nonlinear relationship between shear rate and assembly yield and observe a multi-pitched interplay between shear rate and frequency of malformed complexes. This leads to optimal regimes both at low and intermediate shear rates, such that a balanced relation of bond association and dissociation prevents kinetic trapping and ensures constant monomer supply. At very high shear assemblies are disrupted by force. Our work highlights how both strong cooperative effects and non-equilibrium conditions are important to understand the intricate dynamics of self-assembly pathways.