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    Article

    Role of hydrogen in stability and mobility of vacancy clusters in tungsten

    We investigated the influence of hydrogen (H) on the stability and mobility of small vacancy clusters in tungsten (W) using the first-principles calculations. It is found that the presence of H not only increa...

    Hao-Xuan Huang, Yu-Hao Li, Zhong-Zhu Li, Peng-Wei Hou, Fang-Fei Ma… in Tungsten (2022)

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    Article

    Investigating the effects of phosphorus in a binary-phase TiAl-Ti3Al alloy by first-principles: from site preference, interfacial energetics to mechanical properties

    We investigate the site preference of phosphorus (P) and its effects on the mechanical properties of the binary phase TiAl-Ti3Al alloy using a first-principles method in combination with empirical criterions. We...

    Zhong-Zhu Li, Ye Wei, Hong-Bo Zhou, Guang-Hong Lu in The European Physical Journal B (2016)