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This study advances our understanding of how chemical binding and solutedistribution impact grain boundary segregation behavior and subsequentannealing texture modification in lean Mg-X-Zn alloys (X = RE or Ca). Notably,differences in Ca and Gd solute behavior at grain boundaries were revealed,where Ca exhibited stronger binding to vacancy sites than Gd, resulting inelevated Ca segregation and an RD-TD-type texture. The introduction of Znshowed significant synergistic effects on solute clustering, with Gd-Zn pairsforming more favorably than Ca-Zn pairs, leading to a strong synergy between Znand Gd. This promoted their co-segregation and high concentration at the grainboundary, generating a unique TD-spread texture. In contrast, weaker binding inCa-Zn pairs did not affect Ca segregation but influenced Zn segregation, whichunderscores the importance of solute binding behavior in alloy design concepts.Additionally, the combined atomicscale experiments and ab initio predictionsprovide strong evidence that selective texture development in Mg alloys is tiedto heterogeneous solute-boundary interactions, where the sensitivity of thebinding energy to volumetric strain affects solute segregation at grainboundaries, resulting in varying grain boundary mobilities and specific texturecomponent growth. It also emphasizes that solute behavior in clustering andsegregation is influenced not only by atomic size but also by chemical bindingstrength with vacancies or co-added Zn.

Exploring Solute Behavior and Texture Selection in Magnesium Alloys at the Atomistic Level