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First-principles calculation of elastic properties of Cu-Zn intermetallic compounds for improving the stiffness of aluminum alloys
http://hdl.handle.net/10131/00012916
http://hdl.handle.net/10131/000129162f70c514-8837-4f09-834b-6080a8a6c329
名前 / ファイル | ライセンス | アクション |
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Manuscript.pdf (2.1 MB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2020-02-21 | |||||
タイトル | ||||||
タイトル | First-principles calculation of elastic properties of Cu-Zn intermetallic compounds for improving the stiffness of aluminum alloys | |||||
言語 | ||||||
言語 | eng | |||||
キーワード | ||||||
主題 | Intermetallic compound, Young's modulus, Precipitation, First-principles calculation | |||||
資源タイプ | ||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
資源タイプ | journal article | |||||
著者 |
Iwaoka, Hideaki
× Iwaoka, Hideaki× Hirosawa, Shoichi |
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著者所属 | ||||||
Department of Mechanical Engineering and Materials Science, Yokohama National University, 79-5 Tokiwadai, Hodogaya-ku, Yokohama 240-8501, Japan | ||||||
抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | In this study, we computed the elastic properties of Cu-Zn binary intermetallic compounds, CuZn, Cu5Zn8 and CuZn4, by first-principles calculation and discussed the capability of the improvement in stiffness of aluminum alloys by aging treatment. The disordered CuZn4 with random atom distribution was emulated for the first time by virtual crystal approximation (VCA) model and special quasirandom structure (SQS) model with symmetry-based projection (SBP) technique. From the present calculation results, it was found that Young’s modulus of polycrystalline aggregate of CuZn4 is almost comparable to the highest counterpart of Cu5Zn8 with lower elastic anisotropy, but the expected volume fraction of CuZn4 is much higher than that of Cu5Zn8 after aging treatment. According to the rule of mixtures for the aluminum matrix and differently oriented intermetallic compounds, therefore, CuZn4 was rationally recommended as the most suitable intermetallic compound for improving the stiffness of Al-Cu-Zn alloys. | |||||
書誌情報 |
Computational Materials Science 巻 174, p. 109479, 発行日 2020-03 |
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ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 09270256 | |||||
書誌レコードID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AA10854948 | |||||
DOI | ||||||
関連タイプ | isVersionOf | |||||
識別子タイプ | DOI | |||||
関連識別子 | info:doi/10.1016/j.commatsci.2019.109479 | |||||
著者版フラグ | ||||||
出版タイプ | AM | |||||
出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||
出版者 | ||||||
出版者 | Elsevier |