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<p>The electronic structure and elastic properties of four series of titanium alloys of composition XY<sub>3</sub>Ti<sub>11</sub>, where X&#xa0;and&#xa0;Y are elements of IIIA, IVA, IVB–VIB groups, is studied by the projector augmented-wave method using the cluster-plus-glue-atom model. The smallest values of the Young’s modulus in each series are 37.30 GPa for InHf<sub>3</sub>Ti<sub>11</sub>, 36.52 GPa for SnHf<sub>3</sub>Ti<sub>11</sub>, 65.72 GPa for CrIn<sub>3</sub>Ti<sub>11</sub>, and 52.39 GPa for WSn<sub>3</sub>Ti<sub>11</sub>. The peculiarities of the electronic structure of alloys due to their chemical composition are discussed. It is shown that&#xa0;s, p‑elements do not affect the character of the Young’s modulus anisotropy in the alloy series: the lowest value corresponds to the &lt; 100&gt; direction, and the highest one—the &lt; 111&gt; direction, while d‑elements can change it.</p>

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Mechanical and electronic properties of ternary alloys XY3Ti11

  • 期刊论文

  • 发表日期：

    2025年3月1日

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  • S. O. Kasparyan,
  • A. E. Ordabaev,
  • A. V. Bakulin,
  • S. E. Kulkova

摘要

The electronic structure and elastic properties of four series of titanium alloys of composition XY3Ti11, where X and Y are elements of IIIA, IVA, IVB–VIB groups, is studied by the projector augmented-wave method using the cluster-plus-glue-atom model. The smallest values of the Young’s modulus in each series are 37.30 GPa for InHf3Ti11, 36.52 GPa for SnHf3Ti11, 65.72 GPa for CrIn3Ti11, and 52.39 GPa for WSn3Ti11. The peculiarities of the electronic structure of alloys due to their chemical composition are discussed. It is shown that s, p‑elements do not affect the character of the Young’s modulus anisotropy in the alloy series: the lowest value corresponds to the < 100> direction, and the highest one—the < 111> direction, while d‑elements can change it.