Browsing Computational File Repository by Author "Liu, Z.-K."

Now showing items 1-4 of 4

    • Al–Pt First-principles calculations and thermodynamic modeling 

      Kim, D.E.; Liu, Z.-K.; Manga, V.R.; Prins, S.N. (2013-03-29)
      Thermodynamic description of the Al–Pt binary system is modeled by combining first-principles calculations with the CALPHAD method. The four-sublattice and two-sublattice compound energy formalisms are used to model the ...

    • Co-Pt Thermodynamic modeling of fcc order/disorder transformations 

      Du, Kong; Kim, D.E.; Liu, Z.-K.; Saal, J.; Shang, Shun-Li; Zhou, L.C. (2013-04-01)
      The present work reports on a thermodynamic modeling of the Co–Pt system with ordered fcc phases of L10 and L12 structures by means of the CALPHAD method. The liquid, hcp and fcc phases have been modeled as substitutional ...

    • Cs–In Thermodynamic Modeling 

      Lee, S.H.; Liu, Z.-K. (2013-03-28)
      Thermodynamic description of the Cs–In system has been developed by the CALPHAD modeling combined with first-principles calculations. The calculated phase diagram of the Cs–In system is compared with the experimental one ...

    • Cu–Si–Zn and Cu–Zn Experimental investigation and thermodynamic modeling 

      Du, Y.; Liu, Shuhong; Liu, Z.-K.; Shang, S.-L.; Wang, Jiang; Wang, Peisheng; Xu, Honghui; Zhang, L.; Zhang, Weiqing (2013-03-30)
      The isothermal section of the Cu–Si–Zn ternary system at 600 °C was experimentally determined with fifteen alloys by means of optical microscopy, X-ray diffraction, and the scanning electron microscopy with energy dispersive ...