Sep 17 – 21, 2022
Faculty of Physics, Astronomy and Applied Computer Science; Jagiellonian University
Europe/Warsaw timezone
Registration and Abstract submission are CLOSED

Crystalline phases with splay modulation in a system of hard wedges composed of balls

Sep 19, 2022, 12:35 PM
25m
Faculty of Physics, Astronomy and Applied Computer Science; Jagiellonian University

Faculty of Physics, Astronomy and Applied Computer Science; Jagiellonian University

Łojasiewicza 11, 30-348 Kraków, Poland
Regular talk Monday session

Speaker

Piotr Kubala (Jagiellonian University)

Description

Computer simulation studies of equilibrium phases of matter play a crucial role in many fields, including biophysics, nanotechnology and soft matter science. They can be used as a guidance for synthesis of materials with desired properties. Of especially high interest are simple interaction models, which are easy to implement, but capture the most important characteristics of modelled molecules. Hard-core resuplsion is one of them. It was already proven years ago by Onsager, that a simple model of hard spherocylinders can capture isotropic-nematic phase transition. Since then, many types of hard molecules were studied and numerous purely entropic phase transitions were observed. In this study, we focus on hard wedges composed of tangent balls with linearly increasing radii. The molecule model possesses axial symmetry, but the up-down symmetry is broken ($C_{\infty v}$ symmetry group). The system is studied using Monte Carlo integration. Liquid phases in this model undergo Iso-N-SmA phase transition sequence, typical for elongated molecules. For a solid state, however, non-standard phases emerge. Apart from a non-polar hcp-like structure, two types of polar phases can be observed, where hexagonal clusters with a non-zero net polarization form periodic metastructures with splay modulation in the director field.

Primary authors

Piotr Kubala (Jagiellonian University) Michal Ciesla (M. Smoluchowski Institute of Physics, Jagiellonian University, Kraków, Poland) Lech Longa (Jagiellonian University)

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