Diffusion behavior of helium in titanium and the effect of grain boundaries revealed by molecular dynamics simulation
Cheng Gui-Jun1, Fu Bao-Qin2, †, , Hou Qing2, Zhou Xiao-Song1, Wang Jun2
       

Atomic configuration (projection along the y axis) of boxes before (a) and after (b) annealing. The TB plane is underlined by the green dashed line. The red spheres represent free atoms and the blue spheres represent the fixed atoms.