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- Creative Commons BY-NC Attribution-NonCommercial 4.0 International (113)
- cc-by-3.0 (35)
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First-principles calculations of optical constants
- データセット
- 著者
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SHINOTSUKA, Hiroshi (author) (この著者で検索)
;
YOSHIKAWA, Hideki (author) (この著者で検索)
;
TANUMA, Shigeo (author) (この著者で検索)
- キーワード
- first-principles calculation, energy loss function, optical constant, compound semiconductor
- 刊行年月日
- 2021-07-06
- 更新時刻
- 2022-10-03 02:03:24 +0900
First-principles study of the anisotropic magneto-Peltier effect
- ジャーナル論文
- 著者
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Keisuke Masuda (author) (この著者で検索)National Institute for Materials Science
;
Ken-ichi Uchida (author) (この著者で検索)National Institute for Materials Science
;
Ryo Iguchi (author) (この著者で検索)National Institute for Materials Science
;
Yoshio Miura (author) (この著者で検索)National Institute for Materials Science
- キーワード
- Peltier effect, Spin caloritronics, Spintronics
- 刊行年月日
- 2019-03-06
- 更新時刻
- 2024-04-11 16:30:43 +0900
First-principles phase field method of microstructures in high-temperature alloys
- プレゼンテーション
- 著者
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Ryoji Sahara (author) (この著者で検索)National Institute for Materials Science Research Center for Structural Materials/Materials Evaluation Field/Computational Structural Materials Group
;
Rohit Sanjay Dahule (author) (この著者で検索)
https://orcid.org/0000-0002-2768-8808
(unauthenticated)
National Institute for Materials Science Research Center for Structural Materials/Materials Evaluation Field/Computational Structural Materials Group
;
;Thi Nu Pham (author) (この著者で検索)Yokohama National University;Swastibrata Bhattacharyya (author) (この著者で検索)Birla Institute of Technology and Science;Riichi Kuwahara (author) (この著者で検索)Dassault Systemes K. K.Kaoru Ohno (author) (この著者で検索)Yokohama National University - キーワード
- high-temperature alloys, first-principles phase field method, Ni-Al alloy, Ti-6Al-4V alloy, multi-scale modeling, renormalization, potential renormalization
- 刊行年月日
- 更新時刻
- 2025-12-15 17:07:55 +0900
Stability of Correlated Insulating States in Molecular Conductors from First-Principles Calculation
- ジャーナル論文
- 著者
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Takao Tsumuraya (author) (この著者で検索)
https://orcid.org/0000-0001-9063-9278
(unauthenticated)
;
Tsuyoshi Miyazaki (author) (この著者で検索)
;
Hitoshi Seo (author) (この著者で検索)
- キーワード
- First-principles calculations, Density Functional Theory, Molecular Conductors, Strongly Correlated Systems
- 刊行年月日
- 2024-12-15
- 更新時刻
- 2024-11-21 16:30:38 +0900
First-principles thermodynamic modeling for the Al-Nb-Ni ternary system
- ジャーナル論文
- 著者
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Arkapol Saengdeejing (author) (この著者で検索)National Institute for Materials Science
;
Ryoji Sahara (author) (この著者で検索)National Institute for Materials Science
;
Yoshiaki Toda (author) (この著者で検索)National Institute for Materials Science
- キーワード
- CALPHAD, density functional theory, SQS, first principles, thermodynamic database, Al-Nb-Ni
- 刊行年月日
- 2024-12-31
- 更新時刻
- 2024-12-05 12:47:48 +0900
First-principles study of the reconstruction of MgM2O4 (M = Mn, Fe, Co) spinel surface
- ジャーナル論文
- 著者
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Tomoaki Kaneko (author) (この著者で検索)
https://orcid.org/0000-0002-5296-7403
(unauthenticated)
National Institute for Materials Science (NIMS) Research and Services Division of Materials Data and Integrated System (MaDIS)
;
Yui Fujihara (author) (この著者で検索)
https://orcid.org/0000-0002-4842-5740
(unauthenticated)
Tohoku university Institute of Multidisciplinary Research for Advanced Materials
;
Hiroaki Kobayashi (author) (この著者で検索)
https://orcid.org/0000-0001-6705-9515
(unauthenticated)
Tohoku university Institute of Multidisciplinary Research for Advanced Materials
;
Keitaro Sodeyama (author) (この著者で検索)National Institute for Materials Science (NIMS) Research and Services Division of Materials Data and Integrated System (MaDIS)
- キーワード
- Mg-battery, Cathode, Spinel Surface, Surface reconstruction, First-principles calculations
- 刊行年月日
- 2022-12-17
- 更新時刻
- 2024-01-05 22:13:50 +0900
Iptycene-Assisted Alignment of Chirality-Sorted SWCNTs for Field-Effect Transistors
- ジャーナル論文
- 著者
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Monika R. Snowdon (author) (この著者で検索)
https://orcid.org/0000-0001-6020-4839
(unauthenticated)
;
Ekaterina V. Sukhanova (author) (この著者で検索)
https://orcid.org/0000-0002-3544-2365
(unauthenticated)
;
Zakhar I. Popov (author) (この著者で検索)
https://orcid.org/0000-0003-4882-401X
(unauthenticated)
;
;Shisheng Li (author) (この著者で検索)Leanddas Nurdiwijayanto (author) (この著者で検索)
;
Takaaki Taniguchi (author) (この著者で検索)National Institute for Materials Science
;
Shinsuke Ishihara (author) (この著者で検索)National Institute for Materials Science
;
Takeshi Tanaka (author) (この著者で検索)
https://orcid.org/0000-0001-7547-7928
(unauthenticated)
;
Hiromichi Kataura (author) (この著者で検索)
https://orcid.org/0000-0002-4777-0622
(unauthenticated)
;
Kazuhito Tsukagoshi (author) (この著者で検索)National Institute for Materials Science
;
Robert L. F. Liang (author) (この著者で検索)
https://orcid.org/0000-0002-1407-9931
(unauthenticated)
;
;Marina Freire-Gormaly (author) (この著者で検索)Derek J. Schipper (author) (この著者で検索)
https://orcid.org/0000-0003-4854-531X
(unauthenticated)
;
Dmitry G. Kvashnin (author) (この著者で検索)
https://orcid.org/0000-0003-3320-6657
(unauthenticated)
;
Dai-Ming Tang (author) (この著者で検索)National Institute for Materials Science
- キーワード
- carbon nanotubes, chirality, transistors, sensors
- 刊行年月日
- 2025-01-17
- 更新時刻
- 2025-01-29 13:15:40 +0900
Hydrogen liquid-liquid transition from first principles and machine learning
- ジャーナル論文
- 著者
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;Giacomo Tenti (author) (この著者で検索);Bastian Jäckl (author) (この著者で検索)Kousuke Nakano (author) (この著者で検索)National Institute for Materials Science
;
;Matthias Rupp (author) (この著者で検索)Michele Casula (author) (この著者で検索)
- キーワード
- Machine learning potential, Hydrogen liquid-liquid transition
- 刊行年月日
- 2025-09-24
- 更新時刻
- 2025-12-02 08:30:10 +0900
Elucidating the Mechanism of Iron‐Catalyzed Graphitization: The First Observation of Homogeneous Solid‐State Catalysis
- ジャーナル論文
- 著者
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;Robert D. Hunter (author) (この著者で検索)Masaki Takeguchi (author) (この著者で検索)
;
;Ayako Hashimoto (author) (この著者で検索);Kannan M. Ridings (author) (この著者で検索);Shaun C. Hendy (author) (この著者で検索);Dmitri Zakharov (author) (この著者で検索);Nils Warnken (author) (この著者で検索);Jack Isaacs (author) (この著者で検索);Sol Fernandez‐Muñoz (author) (この著者で検索);Joaquín Ramirez‐Rico (author) (この著者で検索)Zoe Schnepp (author) (この著者で検索)
https://orcid.org/0000-0003-2171-067X
(unauthenticated)
- キーワード
- in situ transmission electron microscopy, Iron-Catalyzed Graphitization, in situ synchrotron X-ray diffraction
- 刊行年月日
- 2024-07-16
- 更新時刻
- 2024-09-10 12:30:28 +0900