Glass transition in monatomic systems: smearing of the same structure vs two structure competition

TL;DR

This paper investigates the mechanisms of glass formation in monatomic systems, focusing on Voronoi polygon properties and identifying two distinct pathways leading to the glass transition.

Contribution

It introduces a comparison of two glass formation mechanisms—smearing of Voronoi polygons and two-shape polygon formation—in monatomic systems.

Findings

Two mechanisms of glass formation identified: smearing and two-shape polygons.

Both mechanisms disrupt crystalline order, leading to glass transition.

Comparison with Kob-Andersen mixture highlights different structural pathways.

Abstract

In the present paper we discuss the properties of Voronoi polygons in several monatomic glass-forming systems and compare them with those of the Kob-Andersen mixture. We show that two mechanisms of glass formation are possible: smearing of Voronoi polygons or formation of polygons of two different shapes. Both mechanisms lead to disturbance of the crystalline order in the system and glass transition.