The contribution of Cr and Ni to hydrogen absorption energy in Fe-Cr-Ni austenitic systems: A first-principles study
- ジャーナル論文
- 著者
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;Junichiro Moriyama (author) (この著者で検索);Osamu Takakuwa (author) (この著者で検索);Masatake Yamaguchi (author) (この著者で検索)Yuhei Ogawa (author) (この著者で検索)National Institute for Materials Science
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Kaneaki Tsuzaki (author) (この著者で検索)National Institute for Materials Science
- キーワード
- Austenitic alloy, First-principles calculation, Hydrogen, Absorption energy, Occupancy
- 刊行年月日
- 2023-11-11
- 更新時刻
- 2025-11-11 08:30:25 +0900
First-principles prediction of supported metal nanoparticle structures based on Wulff–Winterbottom construction
- ジャーナル論文
- 著者
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;Miyu Onishi (author) (この著者で検索);Ayako Nakata (author) (この著者で検索)Hiromi Nakai (author) (この著者で検索)
- キーワード
- Metal nanoparticles, First-principles calculation, Wulff construction, Winterbottom construction, Surface energy
- 刊行年月日
- 2026-07-02
- 更新時刻
- 2026-07-09 08:30:12 +0900
Examples of SQS (special quasirandom structure) models for arbitrary binary bcc (body centered cubic) and hcp (hexagonal close packed) structures
- データセット
- 著者
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SAHARA, Ryoji (author) (この著者で検索)
- キーワード
- Sommerfeld model, quasi-harmonic vibrational contribution, First-principles calculation, Debye model, titanium alloys
- 刊行年月日
- 2020-10-15
- 更新時刻
- 2024-01-05 22:12:16 +0900