The effect of local chemical ordering on dislocation activity in multi-principle element alloys: a three-dimensional discrete dislocation dynamics study

TL;DR

This study develops a 3D discrete dislocation dynamics model to simulate how local chemical ordering and solute atoms influence dislocation behavior in multi-principal element alloys, explaining their unique mechanical properties.

Contribution

The paper introduces a novel 3D DDD simulation framework that captures the effects of substitutional solutes and local chemical fluctuations on dislocation activity in fcc alloys.

Findings

Local chemical fluctuations cause sluggish dislocation motion.

Frequent cross-slip occurs due to solute effects.

Dislocation behavior differs from perfect solid solution models.

Abstract

The exceptional combination of strength and ductility in multi-component alloys is often attributed to the interaction of dislocations with the various solute atoms in the alloy. To study these effects on the mechanical properties of such alloys there is a need to develop a modeling framework capable of quantifying the effect of these solutes on the evolution of dislocation networks. Large scale three-dimensional (3D) Discrete dislocation dynamics (DDD) simulations can provide access to such studies but to date no relevant approaches are available that aim for a complete representation of real alloys with arbitrary chemical compositions. Here, we introduce a formulation of dislocation interaction with substitutional solute atoms in fcc alloys in 3D DDD simulations that accounts for solute strengthening induced by atomic misfit as well as fluctuations in the cross-slip activation energy. Using this model, we show that local fluctuations in the chemical composition of various CrFeCoNi-based multi-principal element alloys (MPEA) lead to sluggish dislocation motion, frequent cross-slip and alignment of dislocations with solute aggregation features, explaining experimental observations related to mechanical behavior and dislocation activity. It is also demonstrated, that this behavior observed for certain MPEAs cannot be reproduced by assuming a perfect solid solution. The developed method also provides a basis for further investigations of dislocation plasticity in any real arbitrary fcc alloy with substitutional solutes.