ライセンス: Creative Commons BY-NC-ND Attribution-NonCommercial-NoDerivs 4.0 International キーワード: First-principles calculation

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COMMAT-D-23-00777R1.pdf
The contribution of Cr and Ni to hydrogen absorption energy in Fe-Cr-Ni austenitic systems: A first-principles study
論文
著者
Junichiro Moriyama ; Osamu Takakuwa ; Masatake Yamaguchi ; Yuhei Ogawa SAMURAI ORCID ; Kaneaki Tsuzaki SAMURAI ORCID
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

Main.pdf
Role of atypical temperature-responsive lattice thermal transport on the thermoelectric properties of antiperovskites Mg3XN (X = P, As, Sb, Bi)
論文
著者
Jincheng Yue ; Yanhui Liu ; Wenling Ren ; Shuyao Lin ; Chen Shen ; Harish Kumar Singh ; Tian Cui ; Terumasa Tadano SAMURAI ORCID ; Hongbin Zhang
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