Formation of Voids or Stacking-Fault Tetrahedra Induced by Local Chemical Variations in Face-Centered-Cubic Complex Concentrated Alloys
Phys. Rev. Lett. 136, 016102 – Published 6 January, 2026
DOI: https://doi.org/10.1103/p629-97jn
Abstract
Understanding how elemental variations influence defect cluster formation is a longstanding challenge in materials science. By combining defect rates-based long-time dynamics with molecular dynamics and irradiation experiments, we identify a distinct, cluster-mediated mechanism—governed by element-specific interactions—as the dominant driver of vacancy cluster evolution into voids or stacking-fault tetrahedra in irradiated complex concentrated alloys, specifically NiCoCr, , and Ni at elevated temperatures. Unlike conventional models that focus on point defect behaviors, the proposed mechanism highlights a critical two-step process—vacancy-tetrahedron formation and annihilation—that governs the bifurcation of vacancy clusters. Ni and Co promote void formation by favoring annihilation over formation, leading to segregation, whereas larger atoms such as Cr, Fe, and Mn resist annihilation, thus favoring stacking-fault tetrahedra formation. These findings offer new insights into how local chemical environments influence defect evolution and provide strategies for tailoring materials to perform better under extreme conditions.