A.DevelopmentoftheCu-Zr-AlternaryEAMpotentials.docVIP

A. Development of the Cu-Zr-Al ternary EAM potentials As stated in the manuscript, the interatomic potentials employing the EAM formalism [1] were obtained by fitting the potential energy surfaces (PES) [2] of the Cu-Zr-Al system. According to Ref. [1], the potential energy of an embedded atom i can be expressed as: , where α and β are the element types of the center (embedded) atom i and the neighboring atom j. ρβ is the charge density function of β; Fα is the embedding function of α; Φαβ is the pair potential function between α and β. Note that the charge density here is the “effective” de