Structural stability, mechanical propert
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C.P. Liang; H.R. Gong
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Article
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2010
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Elsevier Science
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English
β 591 KB
First-principles calculation reveals that the hexagonal close-packed (HCP) TieH phases are energetically more favorable than corresponding body-centered cubic (BCC) and facecentered cubic (FCC) phases when 0 H/Ti < 0.26, while the FCC phases become relatively more stable when H/Ti ! 0.26. Calculatio