Effects of Grain Boundary Disorder on Yield Strength

TL;DR

This study uses atomistic simulations to explore how grain boundary disorder, induced by Zr segregation, influences dislocation nucleation and yield strength in nanocrystalline copper, revealing that full disorder increases strength while partial disorder can reduce it.

Contribution

It demonstrates how grain boundary disorder affects dislocation emission and yield strength, highlighting the role of solute concentration and heat-treatment.

Findings

Full disorder suppresses dislocation emission and increases yield strength.

Partial disorder can facilitate dislocation nucleation, reducing strengthening.

Dislocation behavior depends on solute levels and thermal history.

Abstract

It was recently reported that segregation of Zr to grain boundaries (GB) in nanocrystalline Cu can lead to the formation of disordered intergranular films [1,2]. In this study we employ atomistic computer simulations to study how the formation of these films affects the dislocation nucleation from the GBs. We found that full disorder of the grain boundary structure leads to the suppression of dislocation emission and significant increase of the yield stress. Depending on the solute concentration and heat-treatment, however, a partial disorder may also occur and this aids dislocation nucleation rather than suppressing it, resulting in elimination of the strengthening effect.