Browsing CALPHAD Assessments by Issue Date

Now showing items 21-40 of 103

    • Cr-Re Ab initio and thermodynamic study 

      Kocer, C.; Murakami, H.; Onodera, H.; Palumbo, M. (2013-03-29)
      In this work the assessment of the Cr–Re system, using a combined ab initio and CALPHAD (CALculation of Phase Diagrams) approach, is presented. To model the sigma phase, a five-sublattice combined CEF model was applied and ...

    • Pd–S Thermodynamic modeling 

      Dogan, O.; Gao, M.; Hu, R.X.; King, P.; Widom, M. (2013-03-29)
      Sulfur poisoning of PdCu membrane alloys has promoted new alloy development that requires quantitative understanding of the thermodynamics of the Pd–Cu–S system. This study attempts to develop a self-consistent thermodynamic ...

    • Ta-V Thermodynamic modeling of Laves phases 

      Chen, X.P.; Pavlu, J.; Rogl, P.; Vrest, J. (2013-03-29)
      The Ta–V system is an interesting system exhibiting the existence of Laves phases among elements of the same group in the periodic system, and with an unusual order of stability of Laves phase structures at 0 K. Whereas ...

    • 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 ...

    • Fe–Mn and Fe–Mn–C systems Thermodynamics effects on hcp phase 

      Jacques, P.; Nakano, J. (2013-03-29)
      The thermodynamic parameters of the ε (hcp) phase with respect to the γ (fcc) phase in the Fe–Mn system have been re-visited by utilizing the least squares refinement method applied to experimental values of enthalpy and ...

    • Cu-Pb-Sn Thermodynamic description 

      Docheva, P.; Vassilev, G. (2013-03-29)
      A thermodynamic description of the ternary Cu–Pb–Sn system at the Cu–Pb side is presented. The thermodynamic parameters of the sub-systems, Cu–Pb, Cu–Sn and Pb–Sn, are taken from earlier SGTE-based assessments and those ...

    • Mg–Nd, Mg–Zn, and Mg–Nd–Zn Thermodynamic description on the miscibility gap 

      Du, Zhenmin; Guo, Cuiping; Li, Changrong; Liu, M.; Niu, C.J. (2013-03-29)
      With the consideration of the existence of the metastable miscibility gaps, the thermodynamic parameters of the Mg-based solid solution have been assessed for the Mg–Zn and Mg–Nd systems. The new semi-empirical equation ...

    • Mn-Nb-Si Thermodynamic assessment 

      Du, Zhenmin; Geng, T.; Guo, Cuiping; Li, Changrong; Xu, H.B.; Zhao, X. (2013-03-29)
      Based on the experimental isothermal sections at 800, 1000, 1700 and 1800 °C and the liquidus projections from both the literature and the present measurements, the ternary Nb–Si–Mo system is thermodynamically assessed ...

    • Au, Cu, Pd and Pt alloys Mobilities and diffusivities 

      Du, Y.; Liang, D.; Liu, Yajun; Wang, Jiang; Zhang, L. (2013-03-29)
      Based on the CALPHAD technique, the atomic mobilities and diffusivities in fcc Fe–X (X=Ag, Au, Cu, Pd and Pt) alloys have been critically studied. The thermodynamic descriptions and various types of diffusivities are ...

    • RbBr–TbBr3 Thermodynamic investigation 

      Chen, T.F.; Gaune-Escard, M.; Gong, W.P.; Jin, ZhanPeng; Wu, Y. (2013-03-29)
      The thermodynamic properties and phase diagram of the RbBr–TbBr3 system were analyzed by means of the CALPHAD method in this work. Thermodynamic models were defined in order to describe the Gibbs energies of the individual ...

    • Hg–Ga-Mg Thermodynamic assessment of phase equilibria 

      Feng, Y.; Jin, Zhan-Peng; Liu, Huashan; Wang, R. (2013-03-29)
      Phase relations in the Mg–Hg–Ga ternary system have been experimentally and thermodynamically studied. At first, the isothermal sections of the Mg–Hg–Ga system in the Mg-rich region at 673 K and 473 K were investigated by ...

    • 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 ...

    • Ag–Zn diffusional mobilities 

      Liu, X.J.; Shangguan, N.; Wang, C.P. (2013-03-30)
      Based on the available thermodynamic information and diffusion coefficient data of the Ag–Zn binary system, the atomic mobilities of Ag and Zn in face-centred cubic (fcc) Ag–Zn alloys have been assessed as a function of ...

    • Li–O Thermodynamic assessment 

      Chang, Keke; Hallstedt, B. (2013-03-30)
      The Li–O system has been investigated by means of the CALPHAD approach. The phase equilibria and thermodynamic data of this system are critically reviewed and assessed. The liquid phase and two stable lithium oxides, Li2O ...

    • Mg–Si–Zn Experimental investigation and thermodynamic modeling 

      Du, Y.; Liu, Shuhong; Wang, Man; Wang, Peisheng; Xu, Honghui; Zhang, Weiqing (2013-03-30)
      The isothermal section at 327 °C for the Mg–Si–Zn system has been determined by means of X-ray diffraction (XRD) and scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM/EDX). No ternary compound has ...

    • Alkali metals thermodynamic assessments of six binary systems 

      Ren, Xui; Li, Changrong; Du, Zhenmin; Guo, Cuiping (2013-03-30)
      Among the phase diagrams of six binary systems composed of alkali metals, Sodium (Na), Potassium (K), Rubidium (Rb) and Cesium (Cs), three of them, those of the Cs–K, Cs–Rb and K–Rb systems, indicate a complete range of ...

    • Co-Sm Thermodynamic modeling 

      Yuan, Yuan; Yi, JianHong; Borzone, G.; Watson, A. (2013-04-01)
      The phase diagram of the Co–Sm system has been assessed by applying the Calculation of Phase Diagram (CALPHAD) technique. Thermochemical and phase equilibrium information from the literature have been critically evaluated, ...

    • Cu-Mn-Ni Atomic mobility, diffusivity and diffusion growth simulation 

      Chen, L.; Du, Y.; Liu, Shuhong; Xu, Honghui; Zhang, Lijun; Zhang, Weibin (2013-04-01)
      On the basis of the critically reviewed experimental diffusivities available in the literature, the atomic mobilities of Cu, Mn and Ni in fcc Cu–Mn–Ni alloys were assessed as a function of temperature and composition by ...

    • Al-Cr-Ti Assessment of diffusion mobility for the bcc phase 

      Cui, Y.W.; Hu, Rui; Li, Weibang; Tang, Bin; Zhou, Lian (2013-04-01)
      Experimental diffusion data in the literature were critically assessed to develop the diffusion mobility for the bcc phase of the Ti–Al–Cr system by means of a DICTRA-type (Diffusion Controlled Transformation) diffusion ...

    • V-Zn Experimental results and thermodynamic assessment 

      Wu, C.; Su, X.; Liu, D.; Wang, Xinming; Wang, Jianhua; Li, Z.; Peng, H. (2013-04-01)
      Experimental investigation followed by thermodynamic assessment of the V–Zn system was carried out in the present study. A series of V–Zn alloys annealed at various temperatures were examined using scanning electron ...