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First-principles calculation (11)
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キーワード: First-principles calculation
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11 件のレコードが見つかりました。
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
Junichiro Moriyama
(author) (
この著者で検索
)
Junichiro Moriyama
;
Osamu Takakuwa
(author) (
この著者で検索
)
Osamu Takakuwa
;
Masatake Yamaguchi
(author) (
この著者で検索
)
Masatake Yamaguchi
;
Yuhei Ogawa
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2713-9822
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Yuhei Ogawa
;
Kaneaki Tsuzaki
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2400-7605
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Kaneaki Tsuzaki
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
キーワード
First-principles calculation
(11)
Surface energy
(2)
Wulff construction
(2)
Absorption energy
(1)
Anharmonicity
(1)
Antiperovskite
(1)
Austenitic alloy
(1)
Biomedical
(1)
CompES-X
(1)
Co–Cr alloy
(1)
Curie temperature
(1)
Damping capacity
(1)
Debye model
(1)
Deformation twinning
(1)
Diamond
(1)
Four-phonon scattering
(1)
Heusler alloys
(1)
High entropy alloy
(1)
Hydrogen
(1)
Machine-learning potential
(1)
Magnesium alloy
(1)
Magnetic anisotropy energy
(1)
Mechanical properties
(1)
Metal nanoparticle
(1)
Metal nanoparticles
(1)
Occupancy
(1)
Phonon
(1)
Plane index
(1)
Segregation
(1)
Self-consistent phonon theory
(1)
Sommerfeld model
(1)
Special quasi-random structure
(1)
Stacking fault energy
(1)
Thermal conductivity
(1)
Thermoelectric properties
(1)
Transfer learning
(1)
Winterbottom construction
(1)
atomic simulation
(1)
quasi-harmonic vibrational contribution
(1)
titanium alloys
(1)
toolkit
(1)
RDEメタデータ定義
RDE送り状
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