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Atomic-scale insights into the strengthening effect of Cu segregation on Al Σ9 (221)[11̄0] grain boundary

Authors: WANG Jianteng; WANG Xinru; RONG Xudong; LIU Enzuo; SHI Chunsheng; ZHAO Dongdong; HE Chunnian; ZHAO Naiqin

DOI: 10.1007/s40843-025-3561-3Status: Verified Translated Edition
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Key Findings in This Report

• • Cu segregation at Al Σ9 (221)[11̄0] GB yields a negative segregation energy, indicating strong thermodynamic driving force for segregation; this improves GB stability and strength, with tensile strength enhancement attributed to reduced free volume and restricted atomic displacement. • • Dislocation nucleation shifts from a shuffling-assisted regime to a collective-migration regime upon Cu doping, requiring higher critical stress; this delays dislocation nucleation and increases tensile strength of the GB. • • Cu segregation stabilizes E structures at the GB, preserving their kite shape against structural transition during straining, which contributes to exceptional stability and reduced atomic free volume. • • Under shear deformation, Cu doping elevates GB shear strength by blocking shear-coupled GB migration; the enhanced resistance is linked to stabilized E structures with reduced atomic free volume.