Grain boundary segregation of C, N and O in hcp titanium from first-principles
作者： A. G. Lipnitskii , Yu. R. Kolobov , D. A. Aksyonov
DOI: 10.1088/0965-0393/21/7/075009
关键词:
摘要: It is believed that grain boundary segregation of light interstitials can serve as possible mechanism thermal stability in commercially pure nanostructured titanium alloys. In this paper, using first-principles calculations, we show independent C, N and O atoms at \Sigma 7 high angle \alpha-Ti energetically unfavourable. The presence interstitial elements near the interface results increase width specific formation energy.
arxiv.org
128.84.21.199参考文章(45)
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