Anisotropic diffusion of He in titanium: A molecular dynamics study

被引：19

作者：

Chen, Min ^{[1
]}

Hou, Qing ^{[1
]}

Wang, Jun ^{[1
]}

Sun, Tieying ^{[2
]}

Long, Xinggui ^{[2
]}

Luo, Shunzhong ^{[2
]}

机构：

[1] Sichuan Univ, Inst Nucl Sci & Technol, Chengdu 610064, Peoples R China

[2] Acad Engn Phys, Inst Nucl Phys & Chem China, Mianyang 621900, Peoples R China

来源：

SOLID STATE COMMUNICATIONS | 2008年 / 148卷 / 5-6期

基金：

中国国家自然科学基金;

关键词：

Ti; Molecular dynamics simulation; Helium diffusion in solids;

D O I：

10.1016/j.ssc.2008.08.025

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

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. (C) 2008 Elsevier Ltd. All rights reserved.

引用

页码：178 / 181

页数：4

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