Computer Simulation of Impurities and Interfaces in Body Centered Cubic Metals

摘要

Computations were carried out to examine the structure of interfaces i.e. grain boundaries and their interactions with the self-interstitial type impurities in body centered cubic (bcc) metals. The Johnson Jo potential for alpha-iron was used for these calculations. A large binding energy between <110>-Split interstitial and grain boundaries was recorded. Our results suggest the formation of interstitial dislocation loops at grain boundaries in irradiated bcc metals.