Mean-field and quasi-phase-field models of nucleation and phase competition in reactive diffusion

Abstract

Two alternative models for description of phase formation and competition are suggested: (1) 3D generalization of Martin–Erdelyi–Beke model of simultaneous interdiffusion and ordering in binary diffusion couples with face-centered cubic (FCC) or body-centered cubic (BCC) coherent lattices and (2) phase-field-type model with random choice of phase variable for elementary cells with compositions within two-phase regions. Dependence of phase nucleation and phase competition on thermodynamic and kinetic factors is studied.

Keywords:

• reactive diffusion
• binary system
• ordered phases
• nucleus

Acknowledgements

The work is supported by The State Fund for Fundamental Researches of Ukraine (Project F40.7/040) and by Ministry of Education and Science of Ukraine.