三元合金XY3Ti11的力学和电子性能

IF 0.4 4区物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY

Russian Physics Journal Pub Date : 2025-06-25 DOI:10.1007/s11182-025-03450-y

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

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引用次数: 0

摘要

采用团簇-胶合原子模型，采用投影增强波法研究了X和Y分别为IIIA、IVA、IVB-VIB基团元素的四系XY3Ti11钛合金的电子结构和弹性性能。各系列杨氏模量最小值分别为：InHf3Ti11 37.30 GPa, SnHf3Ti11 36.52 GPa, CrIn3Ti11 65.72 GPa, WSn3Ti11 52.39 GPa。讨论了合金的化学成分所引起的电子结构的特殊性。结果表明，s、p元素不影响合金系杨氏模量各向异性的特征，最小值对应于<； 100>；方向，最大值对应于<； 111>；方向，而d元素可以改变杨氏模量各向异性。

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Mechanical and electronic properties of ternary alloys XY3Ti11

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.

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来源期刊

Russian Physics Journal PHYSICS, MULTIDISCIPLINARY-

CiteScore

1.00

自引率

50.00%

发文量

208

审稿时长

3-6 weeks

期刊介绍： Russian Physics Journal covers the broad spectrum of specialized research in applied physics, with emphasis on work with practical applications in solid-state physics, optics, and magnetism. Particularly interesting results are reported in connection with: electroluminescence and crystal phospors; semiconductors; phase transformations in solids; superconductivity; properties of thin films; and magnetomechanical phenomena.