Phase field modelling of grain boundary premelting using obstacle potentials

TL;DR

This paper explores a phase field model for grain boundary premelting, analyzing how interface interactions depend on model parameters and linking premelting transitions to interfacial energy ratios.

Contribution

It provides a detailed analysis of the multi-order parameter phase field model's ability to describe grain boundary premelting phenomena.

Findings

Single order parameter interfaces are always attractive.

Interaction range is finite due to interface thickness.

Premelting transition depends on interfacial energy ratios.

Abstract

We investigate the multi-order parameter phase field model of Steinbach and Pezzolla [I. Steinbach, F. Pezzolla, A generalized field method for multiphase transformations using interface fields, Physica D 134 (1999) 385-393] concerning its ability to describe grain boundary premelting. For a single order parameter situation solid-melt interfaces are always attractive, which allows to have (unstable) equilibrium solid-melt-solid coexistence above the bulk melting point. The temperature dependent melt layer thickness and the disjoining potential, which describe the interface interaction, are affected by the choice of the thermal coupling function and the measure to define the amount of the liquid phase. Due to the strictly finite interface thickness also the interaction range is finite. For a multi-order parameter model we find either purely attractive or purely repulsive finite-ranged interactions. The premelting transition is then directly linked to the ratio of the grain boundary and solid-melt interfacial energy.