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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 51: Complex Fluids and Soft Matter (joint session DY/CPP)

CPP 51.3: Talk

Friday, March 22, 2024, 10:00–10:15, BH-N 243

Phase Behaviour of Hard Convex Particles — •Poshika Gandhi and Anja Kuhnhold — Institute of Physics, University of Freiburg, Germany

The shape of a particle has a significant influence on its phase behaviour. A simple uniaxial particle, like a spherocylinder, produces a larger variety of phases as compared to a sphere. From the existence of the biaxial nematic phase to the search for a polar nematic one, simulations of hard particles of different shapes and symmetries continue to invoke interest.

We used Monte Carlo NVT simulations to produce phase diagrams of convex biaxial particles with both chiral and achiral compositions. The effect of particle shape on the phase behaviour and the effect of initial configurations on particles with C2v symmetry was analysed. The results show generalised behaviour across particles of varying shapes and sizes which betters our understanding of the entropic forces in simulations of hard particles.

Keywords: Monte Carlo Simulations; Hard Particles; Biaxial; Nematic Phase; Phase Diagram