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

Atomic scale simulation (ASS) of the diffusion and agglomeration of point d efects under high energy electron irradiation has been treated by means of a personal computer. The physical model has been developed by using the Mon te Carlo technique. We have assumed that vacancy-interstitial pairs are cre ated by particle impact. The diffusion of point defects through the solid a nd their association. forms a nucleus for a new dislocation loop and the in corporation 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 resu lts of the chemical reaction rate theory (CRRT) and to experimental data. S ome comparisons are also made with the results performed on parallel comput ers (J. Japanese Psychosom. Soc. 37 (1998) 2703) and the raisons for lack o f quantitative and qualitative agreements are discussed. The spatial distri bution of extended defects and point defects has been studied. We found tha t the spatial distribution of vacancies around of extended defects reduces their further growth. This type of information is totally occulted in the C RRT. (C) 2001 Elsevier Science B.V. All rights reserved.