キーワード: First-principles calculations
全ての絞り込みを解除

5 件のレコードが見つかりました。 1件目から5件目まで表示します。

全ての絞り込みを解除
ZrO2_Arai_eJSSNT_2025.pdf
Charge States of Ions around Σ5(310)/[001] Grain Boundary in Cubic-ZrO<sub>2</sub> Revealed by First-principles Calculations
ジャーナル論文
著者
Shungo Arai (author) (この著者で検索)
;
Koji Shimizu (author) (この著者で検索)
;
Anh Khoa Augustin Lu (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Hiroshi Masuda (author) (この著者で検索)
;
Hidehiro Yoshida (author) (この著者で検索)
;
Satoshi Watanabe (author) (この著者で検索)
キーワード
Born effective charges, First-principles calculations, Grain Boundary
刊行年月日
2025-08-23
更新時刻
2026-05-01 15:27:40 +0900
ComputMaterSci259(2025)114114.pdf
Valence electron concentration-dependent stability of L1 2 , D023, and D022 ordered phases in high-entropy alloys
ジャーナル論文
著者
Hiroshi Mizuseki (author) (この著者で検索)
;
Ryoji Sahara (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Kenta Hongo (author) (この著者で検索)
National Institute for Materials Science
ORCID
キーワード
Semi-ordered atomic arrangements, Multicomponent alloys, Multi-principal element alloys, Order–disorder competition, First-principles calculations
刊行年月日
2025-07-23
更新時刻
2025-12-24 16:16:53 +0900
05dc08fa-ae0b-9c21-78e7-77b5883c0f65.pdf
Hydrogen embrittlement in Al–Zn–Mg alloys: Semispontaneous decohesion of precipitates
ジャーナル論文
著者
Kazuyuki Shimizu (author) (この著者で検索)
;
Hiroyuki Toda (author) (この著者で検索)
;
Kyosuke Hirayama (author) (この著者で検索)
;
Hiro Fujihara (author) (この著者で検索)
;
Tomohito Tsuru (author) (この著者で検索)
;
Masatake Yamaguchi (author) (この著者で検索)
;
Taisuke T. Sasaki (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Masayuki Uesugi (author) (この著者で検索)
;
Akihisa Takeuchi (author) (この著者で検索)
キーワード
Hydrogen embrittlement, Al–Zn–Mg alloys, Aluminum alloys, X-ray tomography, First-principles calculations
刊行年月日
2025-02-18
更新時刻
2026-01-05 14:33:57 +0900
R3_MVG paper_MDR.pdf
Enhancing atomic ordering, magnetic and transport properties of Mn2VGa Heusler alloy thin films toward negatively spin-polarized charge injection
ジャーナル論文
著者
Z.H. Li (author) (この著者で検索)
National Institute for Materials Science Research Center for Magnetic and Spintronic Materials/Nanostructure Analysis Group
;
H. Suto (author) (この著者で検索)
National Institute for Materials Science Research Center for Magnetic and Spintronic Materials/Magnetic Functional Device Group
ORCID SAMURAI ;
V. Barwal (author) (この著者で検索)
National Institute for Materials Science Research Center for Magnetic and Spintronic Materials/Magnetic Functional Device Group
;
K. Masuda (author) (この著者で検索)
National Institute for Materials Science Research Center for Magnetic and Spintronic Materials/Spin Theory Group
ORCID SAMURAI ;
T.T. Sasaki (author) (この著者で検索)
National Institute for Materials Science Research Center for Magnetic and Spintronic Materials/Nanostructure Analysis Group
ORCID SAMURAI ;
Z.X. Chen (author) (この著者で検索)
National Institute for Materials Science Research Center for Magnetic and Spintronic Materials
;
H. Tajiri (author) (この著者で検索)
Japan Synchrotron Radiation Research Institute (JASRI)
;
L.S.R. Kumara (author) (この著者で検索)
Japan Synchrotron Radiation Research Institute (JASRI)
;
T. Koganezawa (author) (この著者で検索)
Japan Synchrotron Radiation Research Institute (JASRI)
;
K. Amemiya (author) (この著者で検索)
Institute of Meterials Structure Science, KEK
;
S. Kokado (author) (この著者で検索)
Shizuoka University
;
K. Hono (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Y. Sakuraba (author) (この著者で検索)
National Institute for Materials Science Research Center for Magnetic and Spintronic Materials/Magnetic Functional Device Group
ORCID SAMURAI
キーワード
Heusler alloy, Atomic order, Magnetic properties, Spintronics, First-principles calculations
刊行年月日
2024-06-13
更新時刻
2025-06-24 08:30:47 +0900
Manuscript_Resubmission_Ti3MSiO_LiZhijun_MDR.docx
Crystal Structure and Physical Properties of Au4Al-Type Suboxides in the Ti–Rh–Si–O and Ti–Ir–Si–O Systems
ジャーナル論文
著者
ORCID SAMURAI ;
Xun Kang (author) (この著者で検索)
; ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI ;
Rintaro Oshikiri (author) (この著者で検索)
;
Asuka Ishikawa (author) (この著者で検索)
;
Takafumi D. Yamamoto (author) (この著者で検索)
;
Shintaro Suzuki (author) (この著者で検索)
;
Ryuji Tamura (author) (この著者で検索)
キーワード
Au4Al-type structure, Oxygen-stabilized alloys, Noncentrosymmetric materials, Multiband metallicity, Synchrotron X-ray diffraction, Ti3RhSiO and Ti3IrSiO, First-principles calculations
刊行年月日
2025-03-17
更新時刻
2026-03-05 16:30:21 +0900
絞り込み