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  1. No Access

    Article

    Element do** improving mechanical properties of β′ phase in Al–Mg–Si alloy

    The effect of element do** on the mechanical properties of β′-Mg9Si5 phase in Al–Mg-Si alloys are investigated using density-functional calculations. The results reveal that Mg17Si10Ge exhibits the highest degr...

    ** Wang, Lianhong Ding, Mengmeng Duan, Chuan-Hui Zhang in MRS Communications (2023)

  2. No Access

    Article

    First-principles study of the structural and mechanical properties of substitution-doped Mg5Si6

    The structural, mechanical, and electronic properties of the metastable β″-Mg5Si6 phase doped with six elements were calculated by using DFT. Our calculated lattice constants of pristine Mg5Si6 are in good agreem...

    Ni Lu, ** Wang, Chuan-Hui Zhang in Journal of Materials Research (2022)

  3. No Access

    Article

    First-principles study of the effect of V, Co, Ca, Sr, Ga, As do** on the mechanical properties of Al2Cu

    Strengthening phase and element do** are two important methods to improve the mechanical properties of Al-Cu alloys. In this work, first-principles calculations based on the density functional theory were us...

    Junkai Wang, Bingkang Li, Chuan-Hui Zhang in Applied Physics A (2021)

  4. No Access

    Article

    Atomistic modeling of Co–Al compounds

    The structural properties, the formation enthalpies, and the mechanical properties of Co–Al compounds (CoAl, CoAl3, Co3Al, Co2Al5, Co2Al9, and Co4Al13) are studied by using Chen’s lattice inversion embedded-atom ...

    Chuan-Hui Zhang, Shuo Huang, Jiang Shen, Nan-**an Chen in Journal of Materials Research (2013)