We investigate the formation of cluster crystals with multiply occupied lattice sites on a spherical surface in systems of ultra-soft particles interacting via repulsive, bounded pair potentials. Not all interactions of this kind lead to clustering: we generalize the criterion devised in C. N. Likos et al., Phys. Rev. E, 2001, 63, 031206 to spherical systems in order to distinguish between cluster forming systems and fluids which display reentrant melting. We use both DFT and Monte Carlo simulations to characterize the behavior of the system, and obtain semi-quantitative agreement between the two. Furthermore, we study the effect of topological frustration on the system due to the sphere curvature by comparing the properties of disclinations, i.e., clusters with fewer than six neighbors, and non-defective clusters. Disclinations are shown to be less stable, contain fewer particles, and be closer to their neighbors than other lattice points: these properties are explained on the basis of geometric and energetic considerations. arXiv:1807.11303v1 [cond-mat.soft] 30 Jul 2018
A DFT study of a fluid of hard disks with competing attractive and repulsive interactions on a spherical surface uncovers a very rich phase diagram, featuring stripes, bubbles, and many cluster phases.
Topology and geometry of a sphere create constraints for particles that lie on its surface which they otherwise do not experience in Euclidean space. Notably, the number of particles and the size of the system can be varied separately, requiring a careful treatment of systems with one or several characteristic length scales. All this can make it difficult to precisely determine whether a particular system is in a disordered, fluid-like, or crystal-like state. Here, we show how order transitions in systems of particles interacting on the surface of a sphere can be detected by changes in two hyperuniformity parameters, derived from spherical structure factor and cap number variance. We demonstrate their use on two different systems-solutions of the thermal Thomson problem and particles interacting via ultra-soft GEM-4 potential-each with a distinct parameter regulating their degree of ordering. The hyperuniformity parameters are not only able to detect the order transitions in both systems, but also point out the clear differences in the ordered distributions in each due to the nature of the interaction leading to them. Our study shows that hyperuniformity analysis of particle distributions on the sphere provides a powerful insight into fluid-and crystal-like order on the sphere.
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