Anisotropic diffusion of He in titanium: A molecular dynamics study

Chen M; Hou Q; Wang JSun TYLong XGLuo SZ

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Anisotropic diffusion of He in titanium: A molecular dynamics study

机译：Anisotropic diffusion of He in titanium: A molecular dynamics study

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摘要

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.

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《Solid State Communications》 |2008年第6期|178-181|共4页
作者
Chen M; Hou Q; Wang JSun TYLong XGLuo SZ;
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作者单位

Sichuan Univ, Inst Nucl Sci & Technol, Chengdu 610064, Peoples R China.;

Acad Engn Phys, Inst Nucl Phys & Chem China, Mianyang 621900, Peoples R China.;

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原文格式 PDF
正文语种英语
中图分类 538C0006;
关键词
Ti; Molecular dynamics simulation; Helium diffusion in solids;

Anisotropic diffusion of He in titanium: A molecular dynamics study

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