The migration processes of He cluster in Ti have been simulated in detail using molecular dynamics. It is observed that He2 has no preferred molecular orientation in the migration process. He2 is observed to migrate quickly across the Ti atom layer when its molecular orientation is in the direction of perpendicularity to [001] axis. And it is difficult for He2 to migrate across the Ti atom layer when its orientation is along the [001] axis. He2 only induce a slight rearrangement of its nearby Ti atoms as it migration. As He3 significantly deviates from the orientation of (001) plane, it migrates quickly in the direction along [001] axis. As the deviation of the orientation of He3 from the (001) plane is small, He3 tends to embed in a (001) monolayer and dislocation will be induced at this condition. The molecular orientation of He3 tends to lay in the (001) plane for most of the time. He trimer consequently diffuses slower than He atom and dimer do. Results demonstrate that the details of the migration process of Hen are obviously different for different n.

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