Basal-plane stacking-fault energies of Mg alloys: A first-principles study of metallic alloying effects

• 来源期刊: 材料科学技术（英文版）
• 年，卷（期）: 2018,（10）
• 页码范围: 1773-1780
• 页数: 8页
• 语种: 英文

摘要

Generalized stacking-fault energies (GSFEs) of basal-plane stacking faults 11 and 12 in Mg alloys have been studied based on first-principles calculations,where 43 alloying elements were considered.It is found that the most contributing features of alloying elements to GSFEs are bulk modulus,equilibrium volume,binding energy,atomic radius and ionization energy.Both bulk modulus and ionization energy exhibit positive relationships with GSFEs,and the others show opposite relationships.Multiple regressions have been performed to offer a quantitative prediction for basal-plane GSFEs in Mg-X systems.GSFEs,alloying effects of elements and the prediction model established within this work may provide guidelines for new Mg alloys design with better ductility.