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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。
Structure Prediction of Metal Nanoparticles Using Wulff Theorem and First Principles Calculation
ジャーナル論文
著者
Miyu ONISHI
(author) (
この著者で検索
)
Miyu ONISHI
;
Shota OHNO
(author) (
この著者で検索
)
Shota OHNO
;
Ayako NAKATA
(author) (
この著者で検索
)
https://orcid.org/0000-0002-3311-6283
NIMS Researchers Directory SAMURAI
Ayako NAKATA
;
Hiromi NAKAI
(author) (
この著者で検索
)
Hiromi NAKAI
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
キーワード
First-principles calculation
(11)
Magnesium alloy
(2)
Surface energy
(2)
Wulff construction
(2)
Absorption energy
(1)
Austenitic alloy
(1)
Biomedical
(1)
CompES-X
(1)
Co–Cr alloy
(1)
Curie temperature
(1)
Damping capacity
(1)
Debye model
(1)
Deformation mechanism
(1)
Deformation twinning
(1)
Diamond
(1)
Grain boundary segregation
(1)
Heusler alloys
(1)
High entropy alloy
(1)
Hydrogen
(1)
Machine-learning potential
(1)
Magnetic anisotropy energy
(1)
Mechanical properties
(1)
Metal nanoparticle
(1)
Metal nanoparticles
(1)
Occupancy
(1)
Phonon
(1)
Plane index
(1)
Segregation
(1)
Sommerfeld model
(1)
Special quasi-random structure
(1)
Stacking fault energy
(1)
Thermal conductivity
(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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