Rounded hard squares confined in a circle

TL;DR

This study uses Monte Carlo simulations to explore how circular confinement affects the ordered structures of rounded-corner hard squares, revealing shape-dependent topological defect arrangements.

Contribution

It uncovers new entropy-driven structural transitions in confined colloids by varying particle roundness, advancing understanding of topological defect formation.

Findings

Low roundness leads to cross-shaped domains with four disclinations.

Increased roundness results in six domains with six +1/4 disclinations and a central -1/2 disclination.

Confinement geometry and particle shape interplay influences structural transitions.

Abstract

Packing under confinement could generate rich ordered structures through entropic effects, which is a fundamental problem in condensed matter, biophysics and material science. The influence of confinement to the anisotropic hard particles--particularly regarding the emergence of topological defect structures--remains poorly understood. Recent studies have shown that granular rods confined within circular boundaries can cluster into square like super-particles, forming four disclinations. In this study, we employ Monte Carlo simulations in the NPT ensemble to investigate how circular confinement influences the ordered structures of rounded-corner hard-squares with varying roundness. At low roundness, the system forms an integrated cross-shaped domain with tetratic order and four +1/4 disclinations in the corners, along with some column shifts. As roundness increases, we found a new partition structure, where particles self-assemble into six domains separated by six +1/4 disclinations and a central -1/2 disclination. Our findings reveal that the interplay between confinement geometry and colloid shape can drive entropy governed structural transitions, offering new insights for the design of topological metamaterials.