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Zi-kui Liu

    • 14856 Citations
    • 60 h-Index
    1989 …2020
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    • 8 Similar Profiles
    Thermodynamics Chemical Compounds
    thermodynamics Physics & Astronomy
    Thermodynamic properties Chemical Compounds
    Enthalpy Engineering & Materials Science
    Phase equilibria Engineering & Materials Science
    Phase diagrams Chemical Compounds
    Temperature Chemical Compounds
    Phase stability Chemical Compounds

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    Research Output 1989 2020

    Activation volume dominated diffusivity of Ni50Al50 melt under extreme conditions

    Tang, J., Xue, X., Yi Wang, W., Lin, D., Ahmed, T., Wang, J., Tang, B., Shang, S., Belova, I. V., Song, H., Murch, G. E., Li, J. & Liu, Z. K., Jan 2020, In : Computational Materials Science. 171, 109263.

    Research output: Contribution to journal › Article

    Diffusivity
    diffusivity
    Activation
    Extremes
    Chemical activation

    Analysis of formation and growth of the σ phase in additively manufactured functionally graded materials

    Bobbio, L. D., Bocklund, B., Reichardt, A., Otis, R., Borgonia, J. P., Dillon, R. P., Shapiro, A. A., McEnerney, B. W., Hosemann, P., Liu, Z. & Beese, A. M., Jan 25 2020, In : Journal of Alloys and Compounds. 814, 151729.

    Research output: Contribution to journal › Article

    Functionally graded materials
    Stainless Steel
    Stainless steel
    3D printers
    Phase composition

    Solute effects on the Σ3 111[11-0] tilt grain boundary in BCC Fe: Grain boundary segregation, stability, and embrittlement

    Hu, Y. J., Wang, Y., Wang, W. Y., Darling, K. A., Kecskes, L. J. & Liu, Z. K., Jan 2020, In : Computational Materials Science. 171, 109271.

    Research output: Contribution to journal › Article

    embrittlement
    Grain Boundary
    Embrittlement
    Segregation
    Tilt

    Achieving accurate energetics beyond (semi-)local density functional theory: Illustrated with transition metal disulfides, Cu2ZnSnS4, and Na3PS4 related semiconductors

    Shang, S., Wang, Y., Anderson, T. J. & Liu, Z., Jan 2 2019, In : Physical Review Materials. 3, 1, 015401.

    Research output: Contribution to journal › Article

    disulfides
    Disulfides
    Transition metals
    Density functional theory
    Sulfides

    An alternative approach to predict Seebeck coefficients: Application to La3−xTe4

    Wang, Y., Chong, X., Hu, Y. J., Shang, S., Drymiotis, F. R., Firdosy, S. A., Star, K. E., Fleurial, J. P., Ravi, V. A., Chen, L. & Liu, Z., Aug 1 2019, In : Scripta Materialia. 169, p. 87-91 5 p.

    Research output: Contribution to journal › Article

    Seebeck coefficient
    Seebeck effect
    Electronic density of states
    thermoelectric materials
    Charge carriers