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ジャーナル論文(10)
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First-principles calculation (12)
Magnesium alloy (2)
Absorption energy (1)
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Austenitic alloy (1)
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キーワード: First-principles calculation
全ての絞り込みを解除
12 件のレコードが見つかりました。
TOAST: Template Oriented Atomic Simulation Toolkit
データセット
著者
XU, Yibin
(author) (
この著者で検索
)
https://orcid.org/0000-0001-8600-8748
NIMS Researchers Directory SAMURAI
XU, Yibin
;
ARAI, Masao
(author) (
この著者で検索
)
https://orcid.org/0000-0003-0088-5649
NIMS Researchers Directory SAMURAI
ARAI, Masao
キーワード
CompES-X
,
toolkit
,
First-principles calculation
,
atomic simulation
刊行年月日
2020-11-20
更新時刻
2022-10-03 01:26:50 +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
SAHARA, Ryoji
(author) (
この著者で検索
)
https://orcid.org/0000-0003-0788-2985
NIMS Researchers Directory SAMURAI
SAHARA, Ryoji
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
キーワード
First-principles calculation
(12)
Magnesium alloy
(2)
Absorption energy
(1)
Anharmonicity
(1)
Antiperovskite
(1)
Austenitic alloy
(1)
Biomedical
(1)
CompES-X
(1)
Compound semiconductor
(1)
Co–Cr alloy
(1)
Curie temperature
(1)
Damping capacity
(1)
Debye model
(1)
Deformation mechanism
(1)
Deformation twinning
(1)
Diamond
(1)
Energy loss function
(1)
Four-phonon scattering
(1)
Grain boundary segregation
(1)
Heusler alloys
(1)
High entropy alloy
(1)
Hydrogen
(1)
Inelastic mean free paths
(1)
Machine-learning potential
(1)
Magnetic anisotropy energy
(1)
Mechanical properties
(1)
Metal nanoparticle
(1)
Occupancy
(1)
Optical constant
(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)
Surface energy
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Thermal conductivity
(1)
Thermoelectric properties
(1)
Transfer learning
(1)
Wulff 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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