First-principles study on elastic properties of Cu, (Cu_1−x,Ni_x)₃Sn and interfacial mechanical properties of (Cu_1−x,Ni_x)₃Sn/Cu in the lead-free solder joint

• Guomin Hua

Beilstein J. Nanotechnol. 2026, 17, 428–439, doi:10.3762/bjnano.17.29

• alloying strategies to meet the requirements for electronic device miniaturization and harsh environmental applications. Keywords: ductility; elastic modulus; interfacial toughness; lead-free solder; work of adhesion; Introduction Due its toxicity, lead has caused serious problems in human health and

• ductility in terms of elastic moduli. Subsequently, the orientation-dependent Young’s moduli of Cu and (Cu1−xNix)3Sn were calculated. Finally, tensile modulus, ultimate tensile stress, work of adhesion, and interfacial toughness of (Cu1−xNix)3Sn/Cu were calculated based the interface model with the

• orientation relationship of (001)ε//(111)Cu and [100]ε//[−110]Cu; the underlying mechanisms responsible for the influence of Ni alloying on the work of adhesion and interfacial toughness are demonstrated. Methods In this study, first-principles calculations within the framework of density functional theory