Interatomic potential to predict favored composition for Hf–Cu–Ni metallic glasses formation

摘要: Abstract An interatomic potential was constructed and applied to conduct molecular dynamics simulations study the glass forming compositions of Hf–Cu–Ni system. Using solid solution model compare relative stability versus its disordered counterpart, not only revealed that metallic formation a result collapsing crystalline structures, but also determined quadrilateral region in composition triangle, within which glasses favored. Moreover, energy difference between initial resultant states defined as driving force static calculations located maximum value be at Hf 45 Cu 10 Ni , i.e. optimized for formation.