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
The atomic structure (projection along the y axis) of the TB region. The light blue arrows denote the displacements of Ti atoms before (represented by dark blue spheres) and after (represented by red spheres) quench relaxation. The TB plane is underlined by the green dashed line. The local favourable sites for He near the TB plane are denoted by the yellow spheres. These sites are all distorted octahedral sites.