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Clear evidence for element partitioning effects in a Ti–6Al–4V alloy by the first-principles phase field method
http://hdl.handle.net/10131/00013280
http://hdl.handle.net/10131/000132800fb88706-23bf-4d81-89de-d4d2d16d87ae
名前 / ファイル | ライセンス | アクション |
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Ti64-finalsubmittedversion.pdf (5.2 MB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2020-06-08 | |||||
タイトル | ||||||
タイトル | Clear evidence for element partitioning effects in a Ti–6Al–4V alloy by the first-principles phase field method | |||||
言語 | ||||||
言語 | eng | |||||
キーワード | ||||||
主題 | First-principles phase field method, Ti64 alloy, element partitioning | |||||
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 |
Thi, Nu Pham
× Thi, Nu Pham× Kaoru, Ohno× Ryoji, Sahara× Riichi, Kuwahara× Swastibrata, Bhattacharyya |
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著者所属 | ||||||
Department of Physics, Yokohama National University | ||||||
著者所属 | ||||||
Department of Physics, Yokohama National University | ||||||
著者所属 | ||||||
National Institute for Materials Science (NIMS) | ||||||
著者所属 | ||||||
Dassault Syst emes K.K., ThinkPark Tower | ||||||
著者所属 | ||||||
Department of Physics, Birla Institute of Technology and Science Pilani | ||||||
抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | Ti–6 wt% Al–4 wt% V (Ti64) is an α + β titanium alloy, in which the alloying components strongly affect the mechanical properties. In this report, element partitioning effects in Ti64 are investigated by using the first-principles phase field (FPPF) method, which has recently been proposed by our group. In the FPPF method, the local free energy is calculated using a cluster expansion method in combination with density functional theory and the temperature effect is incorporated using potential renormalization theory. We have succeeded in identifying enrichment of Al (V) in the α (β) phase, i.e., the clear evidence for the element partitioning effects of Al and V, without using any thermodynamical parameter. The transformation of the β phase and the α phase in microstructure is investigated by varying the V and Al concentrations by a small amount. Our results are in excellent agreement with the recent experimental results, showing the validity of the FPPF method for ternary alloys. | |||||
書誌情報 |
Journal of Physics: Condensed Matter 巻 32, 号 26, 発行日 2020-03-31 |
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ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 1361-648X | |||||
書誌レコードID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AA12471247 | |||||
DOI | ||||||
関連タイプ | isVersionOf | |||||
識別子タイプ | DOI | |||||
関連識別子 | info:doi/10.1088/1361-648X/ab7ad5 | |||||
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 | IOP Science | |||||
関係URI | ||||||
識別子タイプ | URI | |||||
関連識別子 | https://iopscience.iop.org/article/10.1088/1361-648X/ab7ad5 | |||||
関連名称 | https://iopscience.iop.org/article/10.1088/1361-648X/ab7ad5 |