The vacancy mechanism was simulated by means of Monte Carlo method. In this model, the impurity diffusion occurred by migration of substitutional atoms B via the exchange with vacancies whose frequencies near a solute atom differ from a free vacancy. Whenever a defect leaves the lattice, periodic boundary conditions were made to bring it into the lattice. The solute concentration profiles were given using a technique developed by Murch which was shown to be equivalent to a finite source. The fit of these profiles allows the comparison between the present results and analytical solutions. The parameters extracted from a Gaussian function fit which agrees well with numerical profiles were in very good quantitative agreement with theoretical predictions.

Monte Carlo Study of the Vacancy Mechanism in Dilute FCC Binary Alloys. A.Hasnaoui: International Journal of Modern Physics C, 2000, 11[7], 1417-23