Input and Output Data for "Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity of Clathrates from First Principles"
- データセット
- 著者
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;Terumasa Tadano (author) (この著者で検索)Shinji Tsuneyuki (author) (この著者で検索)
- キーワード
- Clathrates, First-principles calculation, Phonon, Lattice thermal conductivity
- 刊行年月日
- 2018-03-07
- 更新時刻
- 2026-08-19 16:57:17 +0900
Input and Output Data for "Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study"
- データセット
- 著者
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;Terumasa Tadano (author) (この著者で検索);Yoshihiro Gohda (author) (この著者で検索)Shinji Tsuneyuki (author) (この著者で検索)
- キーワード
- Clathrates, First-principles calculation, Phonon, Lattice thermal conductivity
- 刊行年月日
- 2015-03-04
- 更新時刻
- 2026-08-18 15:46:45 +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
Role of atypical temperature-responsive lattice thermal transport on the thermoelectric properties of antiperovskites Mg3XN (X = P, As, Sb, Bi)
- ジャーナル論文
- 著者
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;Jincheng Yue (author) (この著者で検索);Yanhui Liu (author) (この著者で検索);Wenling Ren (author) (この著者で検索);Shuyao Lin (author) (この著者で検索);Chen Shen (author) (この著者で検索);Harish Kumar Singh (author) (この著者で検索);Tian Cui (author) (この著者で検索)Terumasa Tadano (author) (この著者で検索)National Institute for Materials Science
;
Hongbin Zhang (author) (この著者で検索) - キーワード
- Antiperovskite, First-principles calculation, Four-phonon scattering, Self-consistent phonon theory, Thermoelectric properties, Anharmonicity
- 刊行年月日
- 2024-01-25
- 更新時刻
- 2026-01-24 12:30:21 +0900
First-principles Calculations of Optical Energy Loss Functions for 30 Compound and 5 Elemental Semiconductors
- ジャーナル論文
- 著者
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Hiroshi Shinotsuka (author) (この著者で検索)National Institute for Materials Science
;
Hideki Yoshikawa (author) (この著者で検索)National Institute for Materials Science
;
Shigeo Tanuma (author) (この著者で検索)National Institute for Materials Science
- キーワード
- Energy loss function, Optical constant, First-principles calculation, Compound semiconductor, Inelastic mean free paths
- 刊行年月日
- 2021-07-15
- 更新時刻
- 2026-02-04 12:30:04 +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
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
;
;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