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
       

Ensemble-averaged MSD (⟨RyRy⟩) along the y direction as a function of time (Δt) at T = 600 K for He and He2 in the TB region. The diffusion coefficient in the y direction can be deduced as 1.04384 × 10− 8 m2/s. The diffusion coefficients in x and z directions are too small to compute due to the rare jump event in these directions.