Diffusion via a vacancy mechanism, interstitial mechanism, kick-out mechanism or Frank-Turnbull mechanism in crystalline solids was analyzed by Monte Carlo simulation. These diffusion mechanisms were strongly dependent upon the temperature. The simulation was performed in order to find the predominant diffusion mechanism of Au into Si at 500K to 1800K. The result showed that the vacancy mechanism was predominant, followed by kick-out, interstitial and Frank-Turnbull mechanisms. The kick-out mechanism appeared only at 670K, the interstitial mechanism at 850K and the Frank-Turnbull mechanism at 1500K.

Monte Carlo Simulation of Atomic Diffusion: Gold into Silicon. P.Poovanaesvaran, A.J.Ithnin, A.K.Hasan: Malaysian Journal of Science, 2006, 25[1], 79-88