Litcius/Paper detail

Decoupling between Shockley partials and stacking faults strengthens multiprincipal element alloys

Zongrui Pei, Siyuan Zhang, Yinkai Lei, Fan Zhang, Mingwei Chen

2021Proceedings of the National Academy of Sciences35 citationsDOIOpen Access PDF

Abstract

Mechanical properties are fundamental to structural materials, where dislocations play a decisive role in describing their mechanical behavior. Although the high-yield stresses of multiprincipal element alloys (MPEAs) have received extensive attention in the last decade, the relation between their mechanistic origins remains elusive. Our multiscale study of density functional theory, atomistic simulations, and high-resolution microscopy shows that the excellent mechanical properties of MPEAs have diverse origins. The strengthening effects through Shockley partials and stacking faults can be decoupled in MPEAs, breaking the conventional wisdom that low stacking fault energies are coupled with wide partial dislocations. This study clarifies the mechanistic origins for the strengthening effects, laying the foundation for physics-informed predictive models for materials design.

Topics & Concepts

Partial dislocationsStackingStacking faultDecoupling (probability)Materials scienceDensity functional theoryElement (criminal law)Condensed matter physicsPhysicsDislocationComposite materialChemistryComputational chemistryEngineeringNuclear magnetic resonanceControl engineeringLawPolitical scienceHigh Entropy Alloys StudiesHigh-Temperature Coating BehaviorsAdditive Manufacturing Materials and Processes