Relaxation of interstitials in spherical colloidal crystals

TL;DR

This study uses numerical simulations to analyze how spherical colloidal crystal structures relax after interstitial intrusion, revealing pathways influenced by topological defects and temperature, with implications for understanding their structural stability.

Contribution

The paper introduces a numerical approach to classify and analyze relaxation pathways of spherical colloidal crystals affected by topological defects, highlighting the role of temperature and defect dynamics.

Findings

Relaxation pathways are classified and their probabilities are estimated.

Most typical pathway results in vacancy filling within ETD areas.

Temperature influences the relaxation mechanisms and dislocation unbinding.

Abstract

Spherical colloidal crystals (CCs) self-assemble on the interface between two liquids. These 2D structures unconventionally combine local hexagonal order and spherical geometry. Nowadays CCs are actively studied by altering their structures. However, the statistical analysis of such experiments results is limited by uniqueness of self-assembled structures and their short lifetime. Here we perform numerical experiments to investigate pathways of CC structure relaxation after the intrusion of interstitial. The process is simulated in the frames of overdamped molecular dynamics method. The relaxation occurs due to interaction with extended topological defects (ETDs) mandatory induced in spherical CCs by their intrinsic Gaussian curvature. Types of relaxation pathways are classified and their probabilities are estimated in the low-temperature region. To analyze the structural changes during the relaxation we use a parent phase approach allowing us to describe the global organization of spherical order. This organization is preserved by only the most typical relaxation pathway resulting in filling one of vacancies integrated inside the ETD areas. In contrast with this pathway the other ones shift the ETDs centers and can strongly reconstruct the internal structure of ETDs. Temperature dependence of the relaxation processes and the mechanism of dislocation unbinding are discussed. Common peculiarities in relaxation of spherical structures and particular fragments of planar hexagonal lattice are found.