MDRについて
ヘルプ
お問い合わせ
Switch language
日本語
English
ログイン
ログイン
Search MDR
Home
論文・データセット
コレクション
資源タイプ
ジャーナル論文(11)
データセット(2)
キーワード
First-principles calculation (13)
Magnesium alloy (2)
Surface energy (2)
Wulff construction (2)
Absorption energy (1)
Anharmonicity (1)
Antiperovskite (1)
Austenitic alloy (1)
Biomedical (1)
CompES-X (1)
(more)
ライセンス
Creative Commons BY-NC-ND Attribution-NonCommercial-NoDerivs 4.0 International (5)
Creative Commons BY Attribution 4.0 International (3)
In Copyright (2)
Creative Commons BY-NC Attribution-NonCommercial 4.0 International (1)
http://opensource.org/licenses/MIT (1)
ファイル種別
application/pdf (10)
application/vnd.openxmlformats-officedocument.wordprocessingml.document (2)
application/gzip (1)
application/zip (1)
キーワード: First-principles calculation
全ての絞り込みを解除
13 件のレコードが見つかりました。
First-principles Calculations of Optical Energy Loss Functions for 30 Compound and 5 Elemental Semiconductors
ジャーナル論文
著者
Hiroshi Shinotsuka
(author) (
この著者で検索
)
https://orcid.org/0000-0001-5147-1396
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Hiroshi Shinotsuka
;
Hideki Yoshikawa
(author) (
この著者で検索
)
https://orcid.org/0000-0002-7389-8865
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Hideki Yoshikawa
;
Shigeo Tanuma
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2628-9941
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Shigeo Tanuma
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
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
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
(13)
Magnesium alloy
(2)
Surface energy
(2)
Wulff construction
(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)
Metal nanoparticles
(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)
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
<
1
2
>