Amorphous nucleation precursor in highly nonequilibrium fluids

TL;DR

This study uses dynamical density functional simulations to show that in undercooled liquids, amorphous structures form first and influence subsequent crystal nucleation, favoring bcc over fcc and hcp phases.

Contribution

It reveals the role of amorphous precursors in crystal nucleation and links structural features to effective interaction potentials.

Findings

Amorphous structures appear first in undercooled liquids.

Amorphous precursors promote bcc nucleation.

Amorphous structures suppress fcc and hcp phases.

Abstract

Dynamical density functional simulations reveal structural aspects of crystal nucleation in undercooled liquids: the first appearing solid is amorphous, which promotes the nucleation of bcc crystals, but suppresses the appearance of the fcc and hcp phases. These findings are associated with features of the effective interaction potential deduced from the amorphous structure.