Tracer Diffusion and Ordering in FCC Structures - Stochastic Kinetic Mean-Field Method vs. Kinetic Monte Carlo

摘要

Recently developed method of atomistic modelling (SKMF - Stochastic Kinetic Mean Field method) is applied to order-disorder transitions in FCC alloys and to tracer diffusion in the ordered L1_2 structure. Results correlate with Kinetic Monte-Carlo modelling. Difference of diffusion activation energies of two species is found. Activation energy of ordering is close to one of minority component diffusion.