Assessing the magnetic order dependent γ-surface of Cr-Co-Ni alloys

• 作者: Zhibiao Yang Song Lu Yanzhong Tian Zijian Gu Huahai Mao Jian Sun Levente Vitos
• 来源期刊: 材料科学技术（英文版）
• 年，卷（期）: 2021,（21）
• 页码范围: 66-74
• 页数: 9页
• 语种: 英文

摘要

In order to efficiently explore the nearly infinite composition space in multicomponent solid solution alloys for reaching higher mechanical performance,it is important to establish predictive design strate-gies using computation-aided methods.Here,using ab initio calculations we systematically study the effects of magnetism and chemical composition on the generalized stacking fault energy surface (γ-surface) of Cr-Co-Ni medium entropy alloys and show that both chemistry and the coupled magnetic state strongly affect the γ-surface,consequently,the primary deformation modes.The relations among various stable and unstable stacking fault energies are revealed and discussed.The present findings are useful for studying the deformation behaviors of Cr-Co-Ni alloys and facilitate a density functional the-ory based design of transformation-induced plasticity and twinning-induced plasticity mechanisms in Cr-Co-Ni alloys.