Orientational ordering of lamellar structures on closed surfaces

TL;DR

This study compares the self-assembly and orientational ordering of particle structures with SALR interactions on flat and spherical surfaces using molecular dynamics simulations, revealing differences in phase behavior and defect formation.

Contribution

It provides a detailed comparison of SALR particle self-assembly on flat versus spherical surfaces, highlighting how curvature affects structural ordering and phase transitions.

Findings

Bimodal cluster size distribution at specific heat maximums.

Weaker and broader orientational order on spheres.

Formation of spiral stripes and nematic-like defects on spheres.

Abstract

Self-assembly of particles with short-range attraction and long-range repulsion (SALR) interactions on a flat and on a spherical surface is compared. Molecular dynamics (MD) simulations are performed for the two systems having the same area and the density optimal for formation of stripes of particles. Structural characteristics, e.g. a cluster size distribution, a number of defects and an orientational order parameter (OP), as well as the specific heat, are obtained for a range of temperature. In both cases, the cluster size distribution becomes bimodal and elongated clusters appear at the temperature corresponding to the maximum of the specific heat. When the temperature decreases, orientational ordering of the stripes takes place, and the number of particles per cluster or stripe increases in both cases. However, only on the flat surface the specific heat has another maximum at the temperature corresponding to a rapid change of the OP. On the sphere, the crossover between the isotropic and anisotropic structures occurs in a much broader temperature interval, the orientational order is weaker, and occurs at significantly lower temperature. At low temperature the stripes on the sphere form spirals, and the defects resemble defects in the nematic phase of rods adsorbed at a sphere.