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• W1837353567 startingPage "1715" @default.
• W1837353567 abstract "Structural stability and hydrogen diffusion in TiHx alloys, with x=0–2, have been studied by ab initio total energy calculations. A concentration dependent structural transformation is predicted to occur from FCC (x≤0.5) to FCT (0.75≤x≤1.50) and then again to FCC (1.75≤x≤2.0). Moreover, a concentration independent hydrogen diffusion behavior is found with activation energies of 0.50 eV in TiH0.75 (along the [110] direction) and 0.54 eV in TiH1.75 (along the [100] direction), respectively. These results are in good agreement with the recent experimental works." @default.
• W1837353567 created "2016-06-24" @default.
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• W1837353567 date "2010-09-01" @default.
• W1837353567 modified "2023-09-27" @default.
• W1837353567 title "Structural stability and hydrogen diffusion in alloys" @default.
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• W1837353567 doi "https://doi.org/10.1016/j.ssc.2010.06.004" @default.
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