ATOMIC-SCALE SIMULATION OF DISLOCATION LO OP FORMATION UNDER IRRADIATION

Citation
Md. Rouhani et al., ATOMIC-SCALE SIMULATION OF DISLOCATION LO OP FORMATION UNDER IRRADIATION, Journal de physique. I, 4(3), 1994, pp. 453-466
Citations number
12
Categorie Soggetti
Physics
Journal title
ISSN journal
11554304
Volume
4
Issue
3
Year of publication
1994
Pages
453 - 466
Database
ISI
SICI code
1155-4304(1994)4:3<453:ASODLO>2.0.ZU;2-T
Abstract
Using the Monte carlo technique, we have developed a model for the Ato mic Scale Simulation of the formation of dislocation loops in material s under irradiation. We assume that vacancy interstitial pairs are cre ated by particle impact and diffuse through the solid. Three types of reaction are considered : vacancy interstitial recombination, intersti tial association to form a nucleus for a new dislocation loop and inco rporation of interstitials into already existing dislocation loops lea ding to their growth. We have determined the concentration of intersti tials, vacancies and dislocation loops, together with the average radi us of the latter. Our results are compared with those obtained by usin g the chemical rate theory and with experimental data on CdTe. Moreove r, Atomic Scale Simulations lead to the spatial distribution of disloc ation loops, in agreement with TEM experimental observations, and to i ndications about the distribution of vacancies around these loops. Thi s kind of information is totally missing in the chemical rate theory.