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
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)
Journal title :
C A L P H A D (Computer Coupling of Phase Diagrams and Thermochemistry)