Surface Induced Crystallization in Supercooled Tetrahedral Liquids

TL;DR

This study provides computational evidence that surfaces can induce crystallization in supercooled tetrahedral liquids, revealing new insights into nucleation mechanisms relevant to atmospheric ice formation and semiconductor processing.

Contribution

It demonstrates surface-induced nucleation in supercooled tetrahedral liquids with a negative melting line slope, linking density changes and surface tension to nucleation processes.

Findings

Surface induces nucleation in supercooled tetrahedral liquids.

Surface tension facilitates initial nucleus formation.

Supports surface-induced ice crystallization in the atmosphere.

Abstract

Freezing is a fundamental physical phenomenon that has been studied over many decades; yet the role played by surfaces in determining nucleation has remained elusive. Here we report direct computational evidence of surface induced nucleation in supercooled systems with a negative slope of their melting line (dP/dT < 0). This unexpected result is related to the density decrease occurring upon crystallization, and to surface tension facilitating the initial nucleus formation. Our findings support the hypothesis of surface induced crystallization of ice in the atmosphere, and provide insight, at the atomistic level, into nucleation mechanisms of widely used semiconductors.