Non-homogeneous structure of complex concentrated alloys: Effect of intrinsic strain

TL;DR

This paper investigates how local compositional heterogeneity and intrinsic strain influence the thermodynamic stability of complex concentrated alloys through theoretical and experimental analysis.

Contribution

It reveals that local segregation and strain compensation significantly stabilize multicomponent alloys, emphasizing the role of heterogeneity.

Findings

Local segregated regions reduce system energy

Strain compensation stabilizes alloy structures

Heterogeneity influences thermodynamic stability

Abstract

Even if the atoms of a multicomponent alloy occupy a common lattice, their distribution is not homogeneous, and regions with different compositions can be detected. Three representative examples will be discussed: a Cantor-type system containing transition-metal elements (Cr, Mn, Fe, Ni, and Co), a refractory high-entropy alloy (Ti, Zr, Nb, Ta, and Mo), and a multicomponent system combining transition and refractory metals (Cu, Ni, Ti, Zr, and Hf). Using a combination of theoretical analysis and experimental observations, we demonstrate that the formation of locally segregated regions can lead to a reduction in the overall energy of the system. This stabilization arises from the compensation of tensile and compressive strain fields associated with atoms of different sizes, highlighting the key role of local chemical and structural heterogeneity in determining the thermodynamic stability of multicomponent alloys.