メニュー
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(4)
キーワード
First-principles calculation (15)
Phonon (3)
Clathrates (2)
Lattice thermal conductivity (2)
Magnesium alloy (2)
Surface energy (2)
Wulff construction (2)
Absorption energy (1)
Anharmonicity (1)
Antiperovskite (1)
(more)
ライセンス
Creative Commons BY Attribution 4.0 International (5)
Creative Commons BY-NC-ND Attribution-NonCommercial-NoDerivs 4.0 International (5)
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/x-xz (2)
text/markdown (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
15 件のレコードが見つかりました。 11件目から15件目まで表示します。
全ての絞り込みを解除
Control of twin boundary mobility by solute segregation in Mg binary alloys
ジャーナル論文
著者
Hidetoshi Somekawa
(author) (
この著者で検索
)
https://orcid.org/0000-0001-5007-5834
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Hidetoshi Somekawa
;
Tomohito Tsuru
(author) (
この著者で検索
)
Tomohito Tsuru
;
Kimiyoshi Naito
(author) (
この著者で検索
)
https://orcid.org/0000-0002-3334-4876
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Kimiyoshi Naito
;
Alok Singh
(author) (
この著者で検索
)
https://orcid.org/0000-0001-5515-8305
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Alok Singh
キーワード
Magnesium alloy
,
Segregation
,
Deformation twinning
,
Damping capacity
,
First-principles calculation
刊行年月日
2024-05-20
更新時刻
2024-08-22 13:58:45 +0900
Role of atypical temperature-responsive lattice thermal transport on the thermoelectric properties of antiperovskites Mg3XN (X = P, As, Sb, Bi)
ジャーナル論文
著者
Jincheng Yue
(author) (
この著者で検索
)
Jincheng Yue
;
Yanhui Liu
(author) (
この著者で検索
)
Yanhui Liu
;
Wenling Ren
(author) (
この著者で検索
)
Wenling Ren
;
Shuyao Lin
(author) (
この著者で検索
)
Shuyao Lin
;
Chen Shen
(author) (
この著者で検索
)
Chen Shen
;
Harish Kumar Singh
(author) (
この著者で検索
)
Harish Kumar Singh
;
Tian Cui
(author) (
この著者で検索
)
Tian Cui
;
Terumasa Tadano
(author) (
この著者で検索
)
https://orcid.org/0000-0002-8132-2161
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Terumasa Tadano
;
Hongbin Zhang
(author) (
この著者で検索
)
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
Interfacial charge transfer and electronic structure of diamond/c-BN heterointerface
ジャーナル論文
著者
Suna Jia
(author) (
この著者で検索
)
Suna Jia
;
Shiyang Fu
(author) (
この著者で検索
)
Shiyang Fu
;
Yaning Liu
(author) (
この著者で検索
)
Yaning Liu
;
Nan Gao
(author) (
この著者で検索
)
Nan Gao
;
Hongdong Li
(author) (
この著者で検索
)
Hongdong Li
;
Meiyong Liao
(author) (
この著者で検索
)
https://orcid.org/0000-0003-1361-4266
NIMS Researchers Directory SAMURAI
Meiyong Liao
キーワード
Diamond
,
First-principles calculation
刊行年月日
2022-12-07
更新時刻
2024-01-05 22:14:02 +0900
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
(15)
Phonon
(3)
Clathrates
(2)
Lattice thermal conductivity
(2)
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)
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
>
絞り込み
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(4)
キーワード
First-principles calculation (15)
Phonon (3)
Clathrates (2)
Lattice thermal conductivity (2)
Magnesium alloy (2)
Surface energy (2)
Wulff construction (2)
Absorption energy (1)
Anharmonicity (1)
Antiperovskite (1)
(more)
ライセンス
Creative Commons BY Attribution 4.0 International (5)
Creative Commons BY-NC-ND Attribution-NonCommercial-NoDerivs 4.0 International (5)
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/x-xz (2)
text/markdown (2)
application/gzip (1)
application/zip (1)