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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

    Water dissociative adsorption on the precovered Fe (100) surface from DFT computation

    The H2O adsorption and dissociation on two kinds of the precovered Fe surface were studied by density functional theory. On the surface-1, the water molecules prefer to adsorb on the bridge and hollow sites than ...

    Bin Yang, Kaiyuan Shi, Hongying Li, Liwu Jiang… in Indian Journal of Physics (2019)

  5. No Access

    Article

    Occupational exposure to methylene chloride and risk of cancer: a meta-analysis

    We searched MEDLINE and EMBASE for epidemiologic studies on occupational exposure to methylene chloride and risk of cancer. Estimates of study-specific odds ratios (ORs) were calculated using inverse-variance-...

    Tao Liu, Qin-er Xu, Chuan-hui Zhang, Peng Zhang in Cancer Causes & Control (2013)

  6. 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)

  7. No Access

    Article

    Synthesis of styryl-capped polypropylene via metallocene-mediated coordination polymerization: Apply to polypropylene macromolecular engineering

    In this paper, we review our recent progress in the synthesis and application of styryl-capped polypropylene (PP-t-St), an excellent reactive polyolefin that is both convenient and efficient in synthesis and faci...

    Hua-hua Huang, Chuan-hui Zhang, Ya-wei Qin, Hui Niu… in Chinese Journal of Polymer Science (2013)