Atomistic studies of nucleation of He clusters and bubbles in bcc iron

作者：Yang, L.; Deng, H. Q.; Gao, F.^*; Heinisch, H. L.; Kurtz, R. J.; Hu, S. Y.; Li, Y. L.; Zu, X. T.

来源：Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms , 2013, 303: 68-71.

DOI：10.1016/j.nimb.2012.11.025

• Molecular dynamics
• He bubble
• Self-interstitial loop
• Bcc iron

Atomistic simulations of the nucleation of He clusters and bubbles in bcc iron at 800 K have been carried out using the newly developed Fe-Fe interatomic potential, along with Ackland potential for the Fe-Fe interactions. Microstructure changes were analyzed in detail. We found that a He cluster with four He atoms is able to push out an iron interstitial from the cluster, creating a Frenkel pair. Small He clusters and self-interstitial atom (SIA) can migrate in the matrix, but He-vacancy (He-V) clusters are immobile. Most SIAs form < 111 > clusters, and only the dislocation loops with a Burgers vector of b = 1/2 < 111 > appear in the simulations. SIA clusters (or loops) are attached to He-V clusters for He implantation up to 1372 appm, while the He-V cluster-loop complexes with more than one He-V cluster are formed at the He concentration of 2057 appm and larger.

• 出版日期2013-5-15
• 单位电子科技大学; 湖南大学