The Dislocation Content of Triple Junctions

TL;DR

This paper develops a method to calculate the dislocation content of triple junctions in polycrystalline materials and applies it to atomistic simulations of tungsten to understand twin growth mechanisms.

Contribution

It introduces a formalism for computing dislocation content in triple junctions with coincidence site lattices and demonstrates its application to tungsten simulations.

Findings

Calculated Burgers vectors for triple and facet junctions in tungsten.

Tracked dislocation reactions during twin grain growth.

Revealed the sequence of defect reactions at triple junctions.

Abstract

Triple junctions, line defects formed by the intersection of different grain boundaries, exist within all polycrystalline materials. While it has long been recognized that triple junctions could play an important role in microstructural evolution, there remains much uncertainty regarding their properties. Triple junctions are line defects capable of carrying dislocation content. However, no general method for calculating this content has been established. In this work, we derive the necessary equations to calculate the intrinsic dislocation content of a triple junction whose trichromatic pattern forms a coincidence site lattice. We further show that this approach can be easily applied to facet junctions, and in principle, any type of grain boundary junction for which a coincidence site lattice can be defined. We apply this formalism to atomistic simulations of tungsten to compute the Burgers vectors of a facet junction and a triple junction formed during twin grain nucleation and growth from a free surface. By tracking the evolution of the triple junction's Burgers vector and its core structure, we reveal the sequence of individual line defect reactions responsible for triple-junction-mediated twin growth.