Anisotropic diffusion of He in titanium: A molecular dynamics study

We use the molecular dynamics to study the migration of He atom, dimer and trimer in Ti. The migration features of these three He species are shown in this paper. It is observed that the Arrhenius relation can well describe their diffusion. However, the diffusion is significant anisotropic. This ani...

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Bibliographic Details
Published in:Solid state communications 2008-11, Vol.148 (5), p.178-181
Main Authors: Chen, Min, Hou, Qing, Wang, Jun, Sun, Tieying, Long, Xinggui, Luo, Shunzhong
Format: Article
Language:English
Subjects:
A. Ti
C. Molecular dynamics simulation
Condensed matter: structure, mechanical and thermal properties
D. Helium diffusion in solids
Diffusion in solids
Diffusion of impurities
Exact sciences and technology
Physics
Transport properties of condensed matter (nonelectronic)
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Summary:We use the molecular dynamics to study the migration of He atom, dimer and trimer in Ti. The migration features of these three He species are shown in this paper. It is observed that the Arrhenius relation can well describe their diffusion. However, the diffusion is significant anisotropic. This anisotropy is represented by that the prefactor of the diffusion coefficients are quite different for these He species diffusing in different directions, but the activation energies are the same. Another counterintuitive observation is that He-dimer migrate more quickly than single He atom does. The results emphasize the importance of dynamics simulations in predicting diffusion behavior of He in metals.
ISSN:0038-1098
1879-2766
DOI:10.1016/j.ssc.2008.08.025