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首页> 外文期刊>Journal of Applied Physics >The effect of the elements Cr, Os, Ir, and Y additions on the mechanical and electronic properties of L1_2 Ni_3Co alloys
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The effect of the elements Cr, Os, Ir, and Y additions on the mechanical and electronic properties of L1_2 Ni_3Co alloys

机译：元素Cr，OS，IR和Y添加对L1_2 Ni_3Co合金的机械和电子性质的影响

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摘要

This paper studies the site preference and mechanical, thermal, and electronic properties of L1_2 Ni_3Co alloys doped with Cr, Os, Ir, and Y elements based on first-principles calculations. The formation and substitution formation enthalpy results illustrate that the doping elements Cr, Os, and Ir tend to occupy the Ni site and form Ni_(23)MCo_8. According to the results of the mechanical properties, we find that except Y, the element doping in the alloys will improve the elastic modulus and hardness, especially Cr. The direction dependence of Young's modulus and acoustic velocities shows that these alloys are all anisotropic in nature but not of great quality. The thermal properties of Debye temperature and minimum thermal conductivity reveal that only Cr doping that forms Ni_(23)CrCo_8 can improve thermal conductivity. The electronic structures are analyzed to elucidate the origin of the mechanical properties of alloys, and the results indicate that the strengthening effects of doping elements like Cr are attributed to the enhanced covalent characteristic between Co or Ni and Cr atoms. In summary, it was predicted that Cr, Os, and Ir have a good solid solution strengthening effect in Ni_3Co alloys, which is worth further study.
机译：本文研究了L1_2 Ni_3Co合金的位点偏好和机械，热和电子性质，其掺杂有Cr，OS，IR和Y元素的基于第一原理计算。形成和替代形成焓结果说明掺杂元素Cr，OS和IR倾向于占据Ni位点并形成Ni_（23）MCO_8。根据机械性能的结果，我们发现除Y外，合金中的元素掺杂将改善弹性模量和硬度，尤其是Cr。杨氏模量和声速度的方向依赖表明，这些合金本质上都是各向同性的，但不具有良好的品质。德拜德温度和最小导热率的热性能揭示了形成Ni_（23）CRCO_8的CR掺杂可以提高导热率。分析电子结构以阐明合金的机械性质的起源，结果表明，掺杂元素如CR等掺杂元素的强化效应归因于CO或Ni和Cr原子之间的增强的共价特征。总之，预测CR，OS和IR在Ni_3Co合金中具有良好的固溶强化作用，这是值得进一步的研究。

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  • 来源
    《Journal of Applied Physics》 |2020年第18期|185110.1-185110.11|共11页
  • 作者

    Peng Liu; Yizhe Du; Songyuan Ai; Pei Xu; Die Yang; Huamei Duan; Dengfu Chen;

  • 作者单位

    Laboratory of Materials and Metallurgy College of Materials Science and Engineering Chongqing University Chongqing 400044 China Chongqing Key Laboratory of Vanadium-Titanium Metallurgy and New Materials Chongqing University Chongqing 400044 China;

    Laboratory of Materials and Metallurgy College of Materials Science and Engineering Chongqing University Chongqing 400044 China Chongqing Key Laboratory of Vanadium-Titanium Metallurgy and New Materials Chongqing University Chongqing 400044 China;

    Laboratory of Materials and Metallurgy College of Materials Science and Engineering Chongqing University Chongqing 400044 China Chongqing Key Laboratory of Vanadium-Titanium Metallurgy and New Materials Chongqing University Chongqing 400044 China;

    Laboratory of Materials and Metallurgy College of Materials Science and Engineering Chongqing University Chongqing 400044 China Chongqing Key Laboratory of Vanadium-Titanium Metallurgy and New Materials Chongqing University Chongqing 400044 China;

    Laboratory of Materials and Metallurgy College of Materials Science and Engineering Chongqing University Chongqing 400044 China Chongqing Key Laboratory of Vanadium-Titanium Metallurgy and New Materials Chongqing University Chongqing 400044 China;

    Laboratory of Materials and Metallurgy College of Materials Science and Engineering Chongqing University Chongqing 400044 China Chongqing Key Laboratory of Vanadium-Titanium Metallurgy and New Materials Chongqing University Chongqing 400044 China;

    Laboratory of Materials and Metallurgy College of Materials Science and Engineering Chongqing University Chongqing 400044 China Chongqing Key Laboratory of Vanadium-Titanium Metallurgy and New Materials Chongqing University Chongqing 400044 China;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
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