MDR: NIMS Materials Data Repository

23 records found. Displaying records 1 to 10.

Kadowaki_2026_J._Electrochem._Soc._173_091502.pdf

Key Role of Magnetite in Rust Layer of Carbon Steel for Cathodic Reactions and Hydrogen Permeation

Journal article
Creator: Mariko Kadowaki (author) (Search by this author)

https://orcid.org/0000-0002-8988-3545

NIMS Researchers Directory SAMURAI

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Masahiro Yamamoto (author) (Search by this author)

https://orcid.org/0009-0002-1861-7757 (unauthenticated)

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Hideki Katayama (author) (Search by this author)

https://orcid.org/0000-0001-7947-4687

NIMS Researchers Directory SAMURAI

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Arkapol Saengdeejing (author) (Search by this author)

https://orcid.org/0000-0001-8739-3262

NIMS Researchers Directory SAMURAI

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Taichi Abe (author) (Search by this author)

https://orcid.org/0000-0002-5065-0939

NIMS Researchers Directory SAMURAI

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Ryoji Sahara (author) (Search by this author)

https://orcid.org/0000-0003-0788-2985

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Kotaro Doi (author) (Search by this author)

https://orcid.org/0000-0002-5204-1088

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Yoshiharu Murase (author) (Search by this author)

https://orcid.org/0000-0001-7390-851X

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Sachiko Hiromoto (author) (Search by this author)

https://orcid.org/0000-0003-4666-6708

NIMS Researchers Directory SAMURAI

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Yusuke Tsutsumi (author) (Search by this author)

https://orcid.org/0000-0002-9483-1256

NIMS Researchers Directory SAMURAI
Keyword: corrosion, steel, rust, hydrogen permeation
Date published: 2026-05-14
Updated at: 2026-05-13 17:03:43 +0900

First-principles phase field method of microstructures in high-temperature alloys

Conference presentation
Creator: Ryoji Sahara (author) (Search by this author)

https://orcid.org/0000-0003-0788-2985

Research Center for Structural Materials/Materials Evaluation Field/Computational Structural Materials Group, National Institute for Materials Science

NIMS Researchers Directory SAMURAI

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Rohit Sanjay Dahule (author) (Search by this author)

https://orcid.org/0000-0002-2768-8808 (unauthenticated)

Research Center for Structural Materials/Materials Evaluation Field/Computational Structural Materials Group, National Institute for Materials Science

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Thi Nu Pham (author) (Search by this author)

Yokohama National University

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Swastibrata Bhattacharyya (author) (Search by this author)

Birla Institute of Technology and Science

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Riichi Kuwahara (author) (Search by this author)

Dassault Systemes K. K.

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Kaoru Ohno (author) (Search by this author)

Yokohama National University
Keyword: high-temperature alloys, first-principles phase field method, Ni-Al alloy, Ti-6Al-4V alloy, multi-scale modeling, renormalization, potential renormalization
Date published
Updated at: 2025-12-15 17:07:55 +0900

極超音速飛行における可変機構の耐熱性・気密性向上に関する研究特にスタティックシールについて

Journal article
Creator: 東野和幸 (author) (Search by this author)

ネッツ

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佐原亮二 (author) (Search by this author)

https://orcid.org/0000-0003-0788-2985

構造材料研究センター/材料評価分野/計算構造材料グループ, 物質・材料研究機構

 NIMS Researchers Directory SAMURAI

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センディージンアカポール (author) (Search by this author)

https://orcid.org/0000-0001-8739-3262

構造材料研究センター/材料評価分野/計算構造材料グループ, 物質・材料研究機構

 NIMS Researchers Directory SAMURAI

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中村秀一 (author) (Search by this author)

ネッツ

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原田修 (author) (Search by this author)

ネッツ

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鈴木芳雄 (author) (Search by this author)

ネッツ

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高間茂樹 (author) (Search by this author)

ネッツ
Keyword: 高温, スタティックシール, 極超音速飛行, 第一原理計算, 合金状態図, 有限要素法, 機械的特性
Date published: [2025年]
Updated at: 2026-01-09 14:24:44 +0900

All-electron GW calculation of the electronic structure in light-element-doped TiO2

Conference presentation
Creator: Ryoji Sahara (author) (Search by this author)

https://orcid.org/0000-0003-0788-2985

Research Center for Structural Materials/Materials Evaluation Field/Computational Structural Materials Group, National Institute for Materials Science

NIMS Researchers Directory SAMURAI

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Takashi Ishikawa (author) (Search by this author)

Tohoku University

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Kaoru Ohno (author) (Search by this author)

Yokohama National University

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Kyosuke Ueda (author) (Search by this author)

Tohoku University

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Takayuki Narushima (author) (Search by this author)

Tohoku University
Keyword: All-electron GW calculation, C/N doped anatase TiO2, band gap narrowing, first-principles calculations
Date published
Updated at: 2025-12-10 16:30:22 +0900

Effect of Ni and Fe content on the plastic deformation behavior of Co–Cr–Fe–Ni–Mo alloys: A combined computational and experimental study

Journal article
Creator: Kai Hiyama (author) (Search by this author)

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Tomoki Nakajima (author) (Search by this author)

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Ryoji Sahara (author) (Search by this author)

https://orcid.org/0000-0003-0788-2985

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

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Kyosuke Ueda (author) (Search by this author)

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Takayuki Narushima (author) (Search by this author)
Keyword: Co–Cr alloy, High entropy alloy, Biomedical, Stacking fault energy, First-principles calculation, Special quasi-random structure, Mechanical properties
Date published: 2025-09-22
Updated at: 2025-12-02 12:30:12 +0900

Valence electron concentration-dependent stability of L1 $_{2}$ , D023, and D022 ordered phases in high-entropy alloys

Journal article
Creator: Hiroshi Mizuseki (author) (Search by this author)

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Ryoji Sahara (author) (Search by this author)

https://orcid.org/0000-0003-0788-2985

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

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Kenta Hongo (author) (Search by this author)

https://orcid.org/0000-0002-2580-0907 (unauthenticated)

National Institute for Materials Science
Keyword: Semi-ordered atomic arrangements, Multicomponent alloys, Multi-principal element alloys, Order–disorder competition, First-principles calculations
Date published: 2025-07-23
Updated at: 2025-12-24 16:16:53 +0900

Intramolecular Versus Intermolecular Bonding in Drug Gemcitabine and Nucleobases: A Computational Study

Journal article
Creator: Natarajan Sathiyamoorthy Venkataramanan (author) (Search by this author)

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Ambigapathy Suvitha (author) (Search by this author)

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Ryoji Sahara (author) (Search by this author)

https://orcid.org/0000-0003-0788-2985

National Institute for Materials Science

NIMS Researchers Directory SAMURAI
Keyword: drug, nucleobases, non-covalent interactions, DFT calculations, energy decomposition analysis
Date published: 2025-06-25
Updated at: 2025-11-27 08:30:18 +0900

Surface Passivation of Sn-Based Wide Band Gap Perovskite Solar Cells Using Functional Molecules

Journal article
Creator: Dhruba B. Khadka (author) (Search by this author)

https://orcid.org/0000-0001-9134-3890

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

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Masatoshi Yanagida (author) (Search by this author)

https://orcid.org/0000-0002-8065-7875

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

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Roji Sahara (author) (Search by this author)

https://orcid.org/0000-0003-0788-2985

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

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Yasuhiro Shirai (author) (Search by this author)

https://orcid.org/0000-0003-2164-5468

National Institute for Materials Science

NIMS Researchers Directory SAMURAI
Keyword: Perovskite Solar Cells, Sn-perovskite, Surface Passivation, Wide Band Gap Perovskite
Date published: 2025-06-08
Updated at: 2026-03-19 14:27:08 +0900

Sn-PSCs-JMCA-NIMS-Authors final version.pdf

Defect mitigation via fullerene-based functional additives for enhanced efficiency and stability in tin perovskite solar cells

Journal article
Creator: Aman Shukla (author) (Search by this author)

https://orcid.org/0009-0003-1687-3201 (unauthenticated)

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Dhruba B. Khadka (author) (Search by this author)

https://orcid.org/0000-0001-9134-3890

NIMS Researchers Directory SAMURAI

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Chunqing Li (author) (Search by this author)

https://orcid.org/0009-0001-4220-4410 (unauthenticated)

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Masahiro Rikukawa (author) (Search by this author)

https://orcid.org/0000-0003-4632-1072 (unauthenticated)

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Yuko Takeoka (author) (Search by this author)

https://orcid.org/0000-0003-4958-3879 (unauthenticated)

;

Ryoji Sahara (author) (Search by this author)

https://orcid.org/0000-0003-0788-2985

NIMS Researchers Directory SAMURAI

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Masatoshi Yanagida (author) (Search by this author)

https://orcid.org/0000-0002-8065-7875

NIMS Researchers Directory SAMURAI

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Yasuhiro Shirai (author) (Search by this author)

https://orcid.org/0000-0003-2164-5468

NIMS Researchers Directory SAMURAI
Keyword: Pb-free perovskite, Tin perovskite, Additive engineering, Fullerene-based multifunctional molecule, Tin oxidation, Defect suppression
Date published: 2025-05-07
Updated at: 2025-08-18 16:30:39 +0900

Crystallographic and Electronic Structures of Nb:YTaO₄ and Tb:YTaO₄ Single-Crystal Scintillators

Journal article
Creator: Yueshen Zhou (author) (Search by this author)

https://orcid.org/0009-0009-5327-9731

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Encarnación G. Víllora (author) (Search by this author)

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Ryoji Sahara (author) (Search by this author)

https://orcid.org/0000-0003-0788-2985

NIMS Researchers Directory SAMURAI

;

Arkapol Saengdeejing (author) (Search by this author)

https://orcid.org/0000-0001-8739-3262

NIMS Researchers Directory SAMURAI

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Kiyoshi Shimamura (author) (Search by this author)

https://orcid.org/0000-0001-6502-8731

NIMS Researchers Directory SAMURAI
Keyword: Single-crystal structure analysis, DFT, Tb:YTaO4, XPS, Nb:YTaO4
Date published: 2025-07-31
Updated at: 2025-08-01 10:06:22 +0900

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