Browsing CALPHAD Assessments by Title

Now showing items 18-37 of 103

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

      Weibang Li; Bin Tang; Y.-W. Cui; Rui Hu; Hui Chang; Jinshan Li; Lian Zhou
      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 ...

    • Assessment of the Re–Ta binary system 

      Yuwen Cui; Zhanpeng Jin
      Using the CALPHAD method, the thermodynamic properties of each phase of the Re–Ta system were optimized using the experimental information on the phase diagram and the thermochemical quantities. A consistent set of parameters ...

    • 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 ...

    • Au–Ga Thermodynamic assessment 

      Wang, J.; Liu, Y.J.; Liu, H.Y.; Liu, L.B.; Jin, Z.P. (2013-03-29)
      The Au–Ga binary system was assessed thermodynamically using the CALPHAD method through Thermo-calc® software based on the critical review of the available experimental data from the published literature. The solution ...

    • Bi–Lu and Lu–Sb Thermodynamic assessments 

      Gan, S.X.; Gao, F.; Liu, X.J.; Wang, C.P.; Wang, S.L. (2013-04-01)
      The phase diagrams and thermodynamic properties in the Bi–Lu and Lu–Sb binary systems have been assessed by using the CALPHAD (Calculation of Phase Diagrams) method on the basis of experimental data including the thermodynamic ...

    • C-Mn Thermodynamic assessment 

      Appen, J.; Djurovic, D.; Drownskowski, R.; Hallstedt, B. (2013-03-29)
      The manganese–carbon system has been assessed by means of the CALPHAD method. There is a previous description of this system [W. Huang, Scand. J. Metall., 19 (1990) 26–32], but since then a number of high quality experimental ...

    • CALPHAD description of the Mo–Re system focused on the sigma phase modeling 

      R. Mathieu; N. Dupin; J.-C. Crivello; K. Yaqoob; A. Breidi; J.-M. Fiorani; N. David; J.-M. Joubert
      The phase equilibria and thermodynamic properties of the Mo–Re system are studied by combining first-principle and CALPHAD approach. The mixing enthalpies in the bcc and hcp solution phases are estimated by first-principle ...

    • 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 ...

    • 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, ...

    • Computational study of atomic mobility for bcc phase in Ti–Al–Fe system 

      Yi Chen; Jinshan Li; Bin Tang; Hongchao Kou; J. Segurado; Yuwen Cui
      Experimental diffusion data were critically assessed to develop the atomic mobility for the bcc phase of the Ti–Al–Fe system by using the DICTRA software. Good agreements were obtained from comprehensive comparisons made ...

    • A contribution to the Ni-based mobility database: Fcc Ni–Fe–Ti ternary alloy 

      Zhong Zhou; Yajun Liu; Guang Sheng; Fuyue Lei; Zhitao Kang
      In order to establish a general Ni-based mobility database, diffusion couples for Ni–Fe–Ti ternary systems are prepared, all of which are annealed at 1573 K for 50 h. Interdiffusion coefficients are retrieved from the ...

    • Co–Zr Thermodynamic optimization 

      Durga, A.; Kumar, K.C. (2013-03-28)
      The constitutional and thermochemical information of the Co–Zr system is modelled using the Calphad method to obtain a reliable thermodynamic description of the system. Appropriate sublattice models are chosen to describe ...

    • Cr-B-Mo Thermodynamic analysis of phase equilibria 

      Hasebe, M.; Tojo, M.; Tokunaga, T. (2013-03-29)
      A thermodynamic analysis of the phase equilibria in the Cr–Mo–B ternary system has been carried out by combining first-principles calculations with the CALPHAD approach. The thermodynamic descriptions of three binary systems ...

    • 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 ...

    • Cr–Ge Thermodynamic description 

      Du, Y.; Liu, Y.Q. (2013-03-28)
      he Cr–Ge binary system was thermodynamically optimized using the CALPHAD method. The liquid phase was described by means of an associate solution model. The BCC terminal solid solution was described by the 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-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 ...

    • 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 ...

    • Cu-Sn-Ti Experimental investigation and thermodynamic assessment 

      Klotz, U.; Leinenbach, C.; Liu, Chunlei; Loffler, J.; Uggowitzer, P.; Wang, Jiang (2013-03-29)
      The Cu–Sn–Ti ternary system has been studied via experiments and thermodynamic modelling. In the experimental section, the composition of the alloys was selected based on the preliminary calculations and available literature ...

    • Cu–Pb–Zn Thermodynamic description 

      Gandova, V.; Miettinen, J.; Vassilev, G. (2013-03-29)
      Thermodynamic description of the ternary Cu–Pb–Zn system is presented. The adjustable parameters of the sub-systems, Cu–Pb, Cu–Zn and Pb–Zn, are taken from earlier SGTE-based assessments and those of the ternary system are ...