J. Mater. Sci. Technol. ›› 2021, Vol. 80: 66-74.DOI: 10.1016/j.jmst.2020.10.078

• Research Article • Previous Articles     Next Articles

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

Zhibiao Yanga,b, Song Lub,*(), Yanzhong Tianb,*(), Zijian Guc, Huahai Maod,e, Jian Suna,*(), Levente Vitosb,f,g   

  1. aShanghai Key Laboratory of Advanced High-Temperature Materials and Precision Forming, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240, China
    bApplied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, Stockholm SE-100 44, Sweden
    cKey Laboratory for Anisotropy and Texture of Materials (Ministry of Education), School of Materials Science and Engineering, Northeastern University, Shenyang 110819, China
    dUnit of Structures, Department of Materials Science and Engineering, KTH, SE-10044, Stockholm, Sweden
    eThermo-Calc Software, Råsundav. 18, SE-16767, Solna, Sweden
    fDivision of Materials Theory, Department of Physics and Materials Science, Uppsala University, P.O. Box 516, Uppsala SE-75120, Sweden
    gResearch Institute for Solid State Physics and Optics, Wigner Research Center for Physics, Budapest H-1525, P.O.Box 49, Hungary

Abstract:

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 strategies 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 theory based design of transformation-induced plasticity and twinning-induced plasticity mechanisms in Cr-Co-Ni alloys.

Key words: Cr-Co-Ni alloys, Stacking fault energy, Transformation-induced plasticity, Twinning-induced plasticity, Ab initio