WEKO3
アイテム
Role of substituted atoms in stacking fault formation in long-period stacking ordered system
http://hdl.handle.net/10228/00008449
http://hdl.handle.net/10228/00008449fe44f782-5b68-4ddc-84ce-83b02cddb62e
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
j.commatsci.2019.109210.pdf (1.8 MB)
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| アイテムタイプ | 学術雑誌論文 = Journal Article(1) | |||||||||||||||||||||
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| 公開日 | 2021-09-03 | |||||||||||||||||||||
| 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 | |||||||||||||||||||||
| タイトル | ||||||||||||||||||||||
| タイトル | Role of substituted atoms in stacking fault formation in long-period stacking ordered system | |||||||||||||||||||||
| 言語 | en | |||||||||||||||||||||
| 言語 | ||||||||||||||||||||||
| 言語 | eng | |||||||||||||||||||||
| 著者 |
河野, 翔也
× 河野, 翔也
WEKO
23857
× 飯久保, 智
WEKO
6613
× Ohtani, H. |
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| 抄録 | ||||||||||||||||||||||
| 内容記述タイプ | Abstract | |||||||||||||||||||||
| 内容記述 | To study the formation mechanism of the long-period stacking ordered (LPSO) structures, the reaction pathways of solid–solid transformations from a hexagonal close-packed (HCP) structure to LPSO structures in Mg-Y-Zn alloys were calculated using the generalized solid-state nudged elastic band method. The energy increases along the transition from HCP to 18R, and the peak positions represent the activation energy for the transition. Y substitution hardly changes the activation energy but makes the 18R-type LPSO structure more stable than HCP. In contrast, Zn or Y + Zn substitution results in higher activation energy and makes the 18R-type LPSO structure less stable than HCP. The calculated results for 14H and 24R LPSO structures also show similar activation energy and LPSO stability to the HCP-18R transition. Therefore, Y substitution plays an important role in stabilizing the stacking faults in LPSO systems. For the microscopic mechanism, the volume dependence of the total energy in pure FCC and HCP Y were examined, and the result suggests that FCC-Y is stable than HCP-Y under pressure. Therefore, the effect of substitution of Y in HCP Mg can be explained by the characteristics of Y under the chemical pressure exerted by the small size of Mg lattice. | |||||||||||||||||||||
| 書誌情報 |
Computational Materials Science 巻 171, p. 109210-1-109210-6, 発行日 2019-09-03 |
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| 出版社 | ||||||||||||||||||||||
| 出版者 | Elsevier | |||||||||||||||||||||
| DOI | ||||||||||||||||||||||
| 関連タイプ | isVersionOf | |||||||||||||||||||||
| 識別子タイプ | DOI | |||||||||||||||||||||
| 関連識別子 | https://doi.org/10.1016/j.commatsci.2019.109210 | |||||||||||||||||||||
| 日本十進分類法 | ||||||||||||||||||||||
| 主題Scheme | NDC | |||||||||||||||||||||
| 主題 | 501 | |||||||||||||||||||||
| ISSN | ||||||||||||||||||||||
| 収録物識別子タイプ | PISSN | |||||||||||||||||||||
| 収録物識別子 | 0927-0256 | |||||||||||||||||||||
| 著作権関連情報 | ||||||||||||||||||||||
| 権利情報 | Copyright (c) 2019 Elsevier B.V. All rights reserved. | |||||||||||||||||||||
| キーワード | ||||||||||||||||||||||
| 主題Scheme | Other | |||||||||||||||||||||
| 主題 | LPSO structure | |||||||||||||||||||||
| キーワード | ||||||||||||||||||||||
| 主題Scheme | Other | |||||||||||||||||||||
| 主題 | First-principles calculation | |||||||||||||||||||||
| キーワード | ||||||||||||||||||||||
| 主題Scheme | Other | |||||||||||||||||||||
| 主題 | Stacking fault | |||||||||||||||||||||
| 出版タイプ | ||||||||||||||||||||||
| 出版タイプ | AM | |||||||||||||||||||||
| 出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||||||||||||||||||
| 査読の有無 | ||||||||||||||||||||||
| 値 | yes | |||||||||||||||||||||
| 研究者情報 | ||||||||||||||||||||||
| URL | https://hyokadb02.jimu.kyutech.ac.jp/html/100001323_ja.html | |||||||||||||||||||||
| 論文ID（連携） | ||||||||||||||||||||||
| 値 | 10354806 | |||||||||||||||||||||
| 連携ID | ||||||||||||||||||||||
| 値 | 8832 | |||||||||||||||||||||
