Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
- ジャーナル論文
- 著者
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;Masato Ohnishi (author) (この著者で検索);Tianqi Deng (author) (この著者で検索);Pol Torres (author) (この著者で検索);Zhihao Xu (author) (この著者で検索)Terumasa Tadano (author) (この著者で検索)
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;Haoming Zhang (author) (この著者で検索);Wei Nong (author) (この著者で検索);Masatoshi Hanai (author) (この著者で検索);Zeyu Wang (author) (この著者で検索);Michimasa Morita (author) (この著者で検索);Zhiting Tian (author) (この著者で検索);Ming Hu (author) (この著者で検索);Xiulin Ruan (author) (この著者で検索);Ryo Yoshida (author) (この著者で検索);Toyotaro Suzumura (author) (この著者で検索);Lucas Lindsay (author) (この著者で検索);Alan J. H. McGaughey (author) (この著者で検索);Tengfei Luo (author) (この著者で検索);Kedar Hippalgaonkar (author) (この著者で検索)Junichiro Shiomi (author) (この著者で検索) - キーワード
- Thermal conductivity, Phonon, First-principles calculation
- 刊行年月日
- 2026-04-13
- 更新時刻
- 2026-05-12 08:46:56 +0900
Effect of Ni and Fe content on the plastic deformation behavior of Co–Cr–Fe–Ni–Mo alloys: A combined computational and experimental study
- ジャーナル論文
- 著者
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;Kai Hiyama (author) (この著者で検索);Tomoki Nakajima (author) (この著者で検索)Ryoji Sahara (author) (この著者で検索)National Institute for Materials Science
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;Kyosuke Ueda (author) (この著者で検索)Takayuki Narushima (author) (この著者で検索)
- キーワード
- Co–Cr alloy, High entropy alloy, Biomedical, Stacking fault energy, First-principles calculation, Special quasi-random structure, Mechanical properties
- 刊行年月日
- 2025-09-22
- 更新時刻
- 2025-12-02 12:30:12 +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
Structure Prediction of Metal Nanoparticles Using Wulff Theorem and First Principles Calculation
- ジャーナル論文
- 著者
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;Miyu ONISHI (author) (この著者で検索);Shota OHNO (author) (この著者で検索)Ayako NAKATA (author) (この著者で検索)
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Hiromi NAKAI (author) (この著者で検索)
- キーワード
- Metal nanoparticle, Wulff construction, First-principles calculation, Surface energy, Plane index
- 刊行年月日
- 2024-10-17
- 更新時刻
- 2024-12-10 16:54:11 +0900