Effect of grain boundary structures on the behavior of He defects in Ni: An atomistic study
Gong H F1, 2, 3, 4, †, Yan Y1, Zhang X S1, Lv W4, Liu T1, Ren Q S1
       

(color online) Atomic blocks showing the initial and final stable STGBs analyzed using the common neighbor analysis (CNA). The blue balls represent the FCC crystal structure. The red balls represent the irregular crystal structures. The green balls represent the HCP crystal structure. (a) Σ3 GB; (b) Σ5 GB; (c) GB; (d) Σ11 GB; (e) Σ13 GB. Panels (a1)–(e1) represent the GB structures before energy minimization and panels (a2)–(e2) represent the GB structures after relaxation and quenching.