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Journal article(5)
Keyword
First-principles calculations (5)
Aluminum alloys (1)
Al–Zn–Mg alloys (1)
Au4Al-type structure (1)
Born effective charges (1)
Density Functional Theory (1)
Grain Boundary (1)
Hydrogen embrittlement (1)
Molecular Conductors (1)
Multi-principal element alloys (1)
(more)
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Creative Commons BY Attribution 4.0 International (3)
Creative Commons BY-NC-ND Attribution-NonCommercial-NoDerivs 4.0 International (1)
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application/pdf (4)
application/vnd.openxmlformats-officedocument.wordprocessingml.document (1)
Keyword: First-principles calculations
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Hydrogen embrittlement in Al–Zn–Mg alloys: Semispontaneous decohesion of precipitates
Journal article
Creator
Kazuyuki Shimizu
(author) (
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Kazuyuki Shimizu
;
Hiroyuki Toda
(author) (
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)
Hiroyuki Toda
;
Kyosuke Hirayama
(author) (
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)
Kyosuke Hirayama
;
Hiro Fujihara
(author) (
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)
Hiro Fujihara
;
Tomohito Tsuru
(author) (
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)
Tomohito Tsuru
;
Masatake Yamaguchi
(author) (
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)
Masatake Yamaguchi
;
Taisuke T. Sasaki
(author) (
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)
https://orcid.org/0000-0002-5952-7638
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Taisuke T. Sasaki
;
Masayuki Uesugi
(author) (
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)
Masayuki Uesugi
;
Akihisa Takeuchi
(author) (
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)
Akihisa Takeuchi
Keyword
Hydrogen embrittlement
,
Al–Zn–Mg alloys
,
Aluminum alloys
,
X-ray tomography
,
First-principles calculations
Date published
2025-02-18
Updated at
2026-01-05 14:33:57 +0900
Crystal Structure and Physical Properties of Au
4
Al-Type Suboxides in the Ti–Rh–Si–O and Ti–Ir–Si–O Systems
Journal article
Creator
Zhijun Li
(author) (
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)
https://orcid.org/0009-0006-6314-410X
NIMS Researchers Directory SAMURAI
Zhijun Li
;
Xun Kang
(author) (
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)
Xun Kang
;
Xuan Liang
(author) (
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)
https://orcid.org/0000-0002-1062-4103
NIMS Researchers Directory SAMURAI
Xuan Liang
;
Alexei A. Belik
(author) (
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)
https://orcid.org/0000-0001-9031-2355
NIMS Researchers Directory SAMURAI
Alexei A. Belik
;
Masao Arai
(author) (
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)
https://orcid.org/0000-0003-0088-5649
NIMS Researchers Directory SAMURAI
Masao Arai
;
Kazunari Yamaura
(author) (
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)
https://orcid.org/0000-0003-0390-8244
NIMS Researchers Directory SAMURAI
Kazunari Yamaura
;
Rintaro Oshikiri
(author) (
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)
Rintaro Oshikiri
;
Asuka Ishikawa
(author) (
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)
Asuka Ishikawa
;
Takafumi D. Yamamoto
(author) (
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)
Takafumi D. Yamamoto
;
Shintaro Suzuki
(author) (
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)
Shintaro Suzuki
;
Ryuji Tamura
(author) (
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)
Ryuji Tamura
Keyword
Au4Al-type structure
,
Oxygen-stabilized alloys
,
Noncentrosymmetric materials
,
Multiband metallicity
,
Synchrotron X-ray diffraction
,
Ti3RhSiO and Ti3IrSiO
,
First-principles calculations
Date published
2025-03-17
Updated at
2026-03-05 16:30:21 +0900
Valence electron concentration-dependent stability of L1
2
, D023, and D022 ordered phases in high-entropy alloys
Journal article
Creator
Hiroshi Mizuseki
(author) (
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)
Hiroshi Mizuseki
;
Ryoji Sahara
(author) (
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)
https://orcid.org/0000-0003-0788-2985
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Ryoji Sahara
;
Kenta Hongo
(author) (
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)
https://orcid.org/0000-0002-2580-0907
(unauthenticated)
National Institute for Materials Science
Kenta Hongo
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
Stability of Correlated Insulating States in Molecular Conductors from First-Principles Calculation
Journal article
Creator
Takao Tsumuraya
(author) (
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)
https://orcid.org/0000-0001-9063-9278
(unauthenticated)
Takao Tsumuraya
;
Tsuyoshi Miyazaki
(author) (
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)
https://orcid.org/0000-0003-3534-4404
NIMS Researchers Directory SAMURAI
Tsuyoshi Miyazaki
;
Hitoshi Seo
(author) (
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)
Hitoshi Seo
Keyword
First-principles calculations
,
Density Functional Theory
,
Molecular Conductors
,
Strongly Correlated Systems
Date published
2024-12-15
Updated at
2024-11-21 16:30:38 +0900
Charge States of Ions around Σ5(310)/[001] Grain Boundary in Cubic-ZrO<sub>2</sub> Revealed by First-principles Calculations
Journal article
Creator
Shungo Arai
(author) (
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)
Shungo Arai
;
Koji Shimizu
(author) (
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)
Koji Shimizu
;
Anh Khoa Augustin Lu
(author) (
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)
https://orcid.org/0000-0003-4702-0933
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Anh Khoa Augustin Lu
;
Hiroshi Masuda
(author) (
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)
Hiroshi Masuda
;
Hidehiro Yoshida
(author) (
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)
Hidehiro Yoshida
;
Satoshi Watanabe
(author) (
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)
Satoshi Watanabe
Keyword
Born effective charges
,
First-principles calculations
,
Grain Boundary
Date published
2025-08-23
Updated at
2026-05-01 15:27:40 +0900
Keyword
First-principles calculations
(5)
Aluminum alloys
(1)
Al–Zn–Mg alloys
(1)
Au4Al-type structure
(1)
Born effective charges
(1)
Density Functional Theory
(1)
Grain Boundary
(1)
Hydrogen embrittlement
(1)
Molecular Conductors
(1)
Multi-principal element alloys
(1)
Multiband metallicity
(1)
Multicomponent alloys
(1)
Noncentrosymmetric materials
(1)
Order–disorder competition
(1)
Oxygen-stabilized alloys
(1)
Semi-ordered atomic arrangements
(1)
Strongly Correlated Systems
(1)
Synchrotron X-ray diffraction
(1)
Ti3RhSiO and Ti3IrSiO
(1)
X-ray tomography
(1)
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RDE invoice schema
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Collection
Resource type
Journal article(5)
Keyword
First-principles calculations (5)
Aluminum alloys (1)
Al–Zn–Mg alloys (1)
Au4Al-type structure (1)
Born effective charges (1)
Density Functional Theory (1)
Grain Boundary (1)
Hydrogen embrittlement (1)
Molecular Conductors (1)
Multi-principal element alloys (1)
(more)
License
Creative Commons BY Attribution 4.0 International (3)
Creative Commons BY-NC-ND Attribution-NonCommercial-NoDerivs 4.0 International (1)
In Copyright (1)
File type
application/pdf (4)
application/vnd.openxmlformats-officedocument.wordprocessingml.document (1)