• Title of article

    A description of the effect of short range ordering in the compound energy formalism

  • Author/Authors

    Taichi Abe، نويسنده , , Bo Sundman، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2003
  • Pages
    6
  • From page
    403
  • To page
    408
  • Abstract
    The current state of the compound energy formalism (CEF) to model ordering and the technique to handle short range ordering (SRO) were discussed. Although there are some methods which allow better treatment for SRO, such as the cluster variation method (CVM) or the Monte Carlo method (MC), these methods are difficult to handle in multi-component systems because of their complexity. In the compound energy formalism, SRO is not explicitly described. However it is possible to take the contribution of SRO to the Gibbs free energy into account through the reciprocal parameter, which has the same concentration dependency as ΔGmSRO. Introducing the reciprocal parameter of the form, Li,j:i,j for the two sublattice model and Li,j:i,j:*:* for the four sublattice model, one can satisfactorily describe the contribution of SRO to the Gibbs free energy in the CEF.
  • Keywords
    Quasi-chemical pair approximation , Compound energy formalism , Order–disorder transition , Short range ordering
  • Journal title
    C A L P H A D (Computer Coupling of Phase Diagrams and Thermochemistry)
  • Serial Year
    2003
  • Journal title
    C A L P H A D (Computer Coupling of Phase Diagrams and Thermochemistry)
  • Record number

    515228