Y. Mishin et al., THEORY OF OXYGEN TRACER DIFFUSION ALONG GRAIN-BOUNDARIES AND IN THE BULK IN 2-STAGE OXIDATION EXPERIMENTS .3. MONTE-CARLO SIMULATIONS, Journal de physique. III, 7(9), 1997, pp. 1797-1811
Citations number
21
Categorie Soggetti
Material Science","Phsycs, Fluid & Plasmas","Physics, Applied
In Parts I and II of this work we developed a model of oxygen O-18 tra
cer diffusion in a growing polycrystalline oxide film with parallel gr
ain boundaries. In this paper we solve the basic equations of the mode
l numerically using the Monte-Carlo approach. We introduce a new simul
ation technique that takes into account the finite-size effect, the fi
lm growth, the effect of the oxygen chemical potential gradient across
the film, and other factors. We apply this technique for the simulati
on of the most important cases encountered in two-stage oxidation expe
riments. The oxygen tracer profiles obtained demonstrate good agreemen
t with the previous theoretical analysis, the finite-difference soluti
on of the problem, and exact analytical solutions when available. We d
iscuss possible extensions of the simulation method to provide a more
realistic description of the oxide growth.