Abstract Scope |
The recent development of high-entropy alloys (HEAs) has opened a new avenue for alloy design by incorporating multiple principal elements into a simple crystal lattice. Compared to face-centered cubic (FCC) HEAs, the studies on the body-centered cubic (BCC) HEAs still in their infancy. In this study, we combined first-principles calculations with Monte Carlo simulations to study the trend of elemental arrangement in typical BCC multi-principal element alloys (MPEAs), including CrFeV, HfNbZr, TaVW, NbTaV, and TaTiV. Our results demonstrated that all these MPEAs might develop a certain degree of SRO, depending on the mixing properties of different element pairs. The results are in good agreement with a modified quasi-chemical model. We further studied defect accumulation properties in several representative BCC MPEAs, including TaTiV and TaTiVNb. We show that these BCC MPEAs strongly suppress the development of large dislocation loops, rendering them good candidates materials for future nuclear applications. |