Three simple scenarios for high-dimensional sphere packings

TL;DR

This paper explores three theoretical scenarios for high-dimensional sphere packings, investigates the densest packings in dimensions 3 to 10, and finds evidence supporting the scenario where crystallization occurs near the dynamical arrest point.

Contribution

It formulates three conjectured scenarios for high-dimensional sphere crystallization and provides numerical and theoretical analysis supporting the scenario where crystallization occurs before dynamical arrest.

Findings

Supports scenario C where crystallization occurs before dynamical arrest

Estimates crystal entropy near close-packing in dimensions 3-10

Confirms the crystal equation of state is dominated by free volume expansion

Abstract

Based on results from the physics and mathematics literature which suggest a series of clearly defined conjectures, we formulate three simple scenarios for the fate of hard sphere crystallization in high dimension: (A) crystallization is impeded and the glass phase constitutes the densest packing, (B) crystallization from the liquid is possible, but takes place much beyond the dynamical glass transition and is thus dynamically implausible, or (C) crystallization is possible and takes place before (or just after) dynamical arrest, thus making it plausibly accessible from the liquid state. In order to assess the underlying conjectures and thus obtain insight into which scenario is most likely to be realized, we investigate the densest sphere packings in dimension $d=3$-$10$ using cell-cluster expansions as well as numerical simulations. These resulting estimates of the crystal entropy near close-packing tend to support scenario C. We additionally confirm that the crystal equation of state is dominated by the free volume expansion and that a meaningful polynomial correction can be formulated.