Murdoch University Research Repository

Welcome to the Murdoch University Research Repository

The Murdoch University Research Repository is an open access digital collection of research
created by Murdoch University staff, researchers and postgraduate students.

Learn more

Low-temperature statistical mechanics of the Quantizer problem: Fast quenching and equilibrium cooling of the three-dimensional Voronoi liquid

Hain, T.M., Klatt, M.A. and Schröder-Turk, G.E. (2020) Low-temperature statistical mechanics of the Quantizer problem: Fast quenching and equilibrium cooling of the three-dimensional Voronoi liquid. The Journal of Chemical Physics, 153 (23). Art. 234505.

Link to Published Version: https://doi.org/10.1063/5.0029301
*Subscription may be required

Abstract

The quantizer problem is a tessellation optimization problem where point configurations are identified such that the Voronoi cells minimize the second moment of the volume distribution. While the ground state (optimal state) in 3D is almost certainly the body-centered cubic lattice, disordered and effectively hyperuniform states with energies very close to the ground state exist that result as stable states in an evolution through the geometric Lloyd’s algorithm [M. A. Klatt et al. Nat. Commun. 10, 811 (2019)]. When considered as a statistical mechanics problem at finite temperature, the same system has been termed the “Voronoi liquid” by Ruscher, Baschnagel, and Farago [Europhys. Lett. 112, 66003 (2015)]. Here, we investigate the cooling behavior of the Voronoi liquid with a particular view to the stability of the effectively hyperuniform disordered state. As a confirmation of the results by Ruscher et al., we observe, by both molecular dynamics and Monte Carlo simulations, that upon slow quasi-static equilibrium cooling, the Voronoi liquid crystallizes from a disordered configuration into the body-centered cubic configuration. By contrast, upon sufficiently fast non-equilibrium cooling (and not just in the limit of a maximally fast quench), the Voronoi liquid adopts similar states as the effectively hyperuniform inherent structures identified by Klatt et al. and prevents the ordering transition into a body-centered cubic ordered structure. This result is in line with the geometric intuition that the geometric Lloyd’s algorithm corresponds to a type of fast quench

Item Type: Journal Article
Murdoch Affiliation(s): Information Technology, Mathematics and Statistics
Publisher: American Institute of Physics
Copyright: © 2020 AIP Publishing LLC.
URI: http://researchrepository.murdoch.edu.au/id/eprint/59287
Item Control Page Item Control Page