Crystalline Particle Packings on a Sphere with Long Range Power Law Potentials

TL;DR

This paper investigates the ground states of particles with long-range power law interactions on a sphere, extending the classical Thomson problem, and develops a continuum elastic model to analyze defect structures and energy scaling.

Contribution

It introduces a continuum elastic framework for particles with 1/r^gamma interactions on a sphere, linking geometric defect interactions to potential-dependent energy terms.

Findings

The continuum model's first non-trivial coefficient matches numerical results for icosahedral configurations.

Discrepancies at higher order are due to configuration-specific energy contributions.

Large particle numbers lead to instabilities modeled by a Debye–Huckel solution with dislocation charges.

Abstract

The original Thomson problem of "spherical crystallography" seeks the ground state of electron shells interacting via the Coulomb potential; however one can also study crystalline ground states of particles interacting with other potentials. We focus here on long range power law interactions of the form 1/r^gamma (0 < \gamma < 2), with the classic Thomson problem given by gamma=1. At large R/a, where R is the sphere radius and a is the particle spacing, the problem can be reformulated as a continuum elastic model that depends on the Young's modulus of particles packed in the plane and the universal (independent of the pair potential) geometrical interactions between disclination defects. The energy of the continuum model can be expressed as an expansion in powers of the total number of particles, M sim (R/a)^2, with coefficients explicitly related to both geometric and potential-dependent terms. For icosahedral configurations of twelve 5-fold disclinations, the first non-trivial coefficient of the expansion agrees with explicit numerical evaluation for discrete particle arrangements to 4 significant digits; the discrepancy in the 5th digit arises from a contribution to the energy that is sensitive to the particular icosadeltahedral configuration and that is neglected in the continuum calculation. In the limit of a very large number of particles, an instability toward grain boundaries can be understood in terms of a "Debye{--}Huckel" solution, where dislocations have continuous Burgers' vector "charges". Discrete dislocations in grain boundaries for intermediate particle numbers are discussed as well.