Atomic scale simulation of extended defects formation under high energy electron irradiation: space distribution

Abstract

Atomic scale simulation (ASS) of the diffusion and agglomeration of point defects under high energy electron irradiation has been treated by means of a personal computer. The physical model has been developed by using the Monte Carlo technique. We have assumed that vacancy–interstitial pairs are created by particle impact. The diffusion of point defects through the solid and their association, forms a nucleus for a new dislocation loop and the incorporation of interstitials into already existing dislocation loops leads to their growth. We have determined the concentration of point defects and extended defects and size of these latters, and compared them with the results of the chemical reaction rate theory (CRRT) and to experimental data. Some comparisons are also made with the results performed on parallel computers (J. Japanese Psychosom. Soc. 37 (1998) 2703) and the raisons for lack of quantitative and qualitative agreements are discussed. The spatial distribution of extended defects and point defects has been studied. We found that the spatial distribution of vacancies around of extended defects reduces their further growth. This type of information is totally occulted in the CRRT.