Phenomenological coefficients in a dilute BCC alloy for the dumbbell mechanism
Résumé
The Self-Consistent Mean Field Method is applied to calculate the transport coefficients in a dilute BCC alloy with the dumbbell diffusion mechanism. A first degree of approximation (first shell) of the SCMF formalism coincides with the formerly derived pair association method, and a second degree of approximation (second shell) leads to a more accurate analytical formulation. The SCMF results are compared with other formalisms as well as existing and new Monte Carlo simulations, including a solute-dumbbell binding energy. This theory shows a good balance between accuracy and maniability in the investigated systems, and a simple criterium is proposed for the preferential use of the first and second shell approximations.
Origine : Fichiers produits par l'(les) auteur(s)
Loading...