The superheated Melting of Grain Boundary

TL;DR

This paper explores the potential for superheated grain boundary states in materials, using molecular dynamics simulations to analyze melting behavior and the effects of pressure and nucleation.

Contribution

It introduces a model for superheated grain boundary melting and demonstrates its realization in high symmetric tilt grain boundaries through simulations.

Findings

Superheated grain boundary states can exist in high symmetric tilt boundaries.

The size of liquid nuclei determines whether superheating occurs.

Pressure has a smaller effect on melting point increase than nucleation mechanisms.

Abstract

Based on a model of the melting of Grain Boundary (GB), we discuss the possibility of the existence of superheated GB state. A Molecular Dynamics simulation presented here shows that the superheated GB state can realized in the high symmetric tilt GB. Whether the sizes of liquid nuclei exceed a critical size determined the superheating grain boundary melting or not. Our results also indicate that the increase of melting point due to pressure is smaller than the superheating due to nucleation mechanism.