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Stability and diffusion properties of self-interstitial atoms in tungsten: a first-principles investigation

โœ Scribed by Long Chen; YueLin Liu; HongBo Zhou; Shuo Jin; Ying Zhang; GuangHong Lu


Book ID
118814477
Publisher
Science in China Press (SCP)
Year
2012
Tongue
English
Weight
660 KB
Volume
55
Category
Article
ISSN
1672-1799

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Stress effects on stability and diffusio
โœ Wen-Ying Li; Ying Zhang; Hong-Bo Zhou; Shuo Jin; Guang-Hong Lu ๐Ÿ“‚ Article ๐Ÿ“… 2011 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 446 KB

We perform first-principles calculations to investigate the stress effects on stability and diffusion of H in W. Both the solution energy and the diffusion barrier of H decrease with increasing tensile stress. We show that the stress will not alter the site preference and the relative stability, wit