Accurate screening of functional materials with machine-learning potential and transfer-learned regressions: Heusler alloy benchmark
- ジャーナル論文
- 著者
-
Enda Xiao (author) (この著者で検索)
https://orcid.org/0000-0002-4372-1575
(unauthenticated)
;
Terumasa Tadano (author) (この著者で検索)
- キーワード
- Heusler alloys, Machine-learning potential, Transfer learning, First-principles calculation, Curie temperature, Magnetic anisotropy energy
- 刊行年月日
- 2026-02-19
- 更新時刻
- 2026-03-30 13:06:06 +0900
Structure Prediction of Metal Nanoparticles Using Wulff Theorem and First Principles Calculation
- ジャーナル論文
- 著者
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;Miyu ONISHI (author) (この著者で検索);Shota OHNO (author) (この著者で検索)Ayako NAKATA (author) (この著者で検索)
;
Hiromi NAKAI (author) (この著者で検索)
- キーワード
- Metal nanoparticle, Wulff construction, First-principles calculation, Surface energy, Plane index
- 刊行年月日
- 2024-10-17
- 更新時刻
- 2024-12-10 16:54:11 +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
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SAHARA, Ryoji (author) (この著者で検索)
- 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
Grain boundary plasticity in Mg binary alloys by segregation of p-block element
- ジャーナル論文
- 著者
-
Hidetoshi Somekawa (author) (この著者で検索)National Institute for Materials Science
;
;Tomohito Tsuru (author) (この著者で検索)Alok Singh (author) (この著者で検索)National Institute for Materials Science
- キーワード
- Magnesium alloy, Grain boundary segregation, First-principles calculation, Deformation mechanism
- 刊行年月日
- 2024-01-01
- 更新時刻
- 2024-10-25 10:02:38 +0900
First-principles prediction of supported metal nanoparticle structures based on Wulff–Winterbottom construction
- ジャーナル論文
- 著者
-
;Miyu Onishi (author) (この著者で検索);Ayako Nakata (author) (この著者で検索)Hiromi Nakai (author) (この著者で検索)
- キーワード
- Metal nanoparticles, First-principles calculation, Wulff construction, Winterbottom construction, Surface energy
- 刊行年月日
- 2026-07-02
- 更新時刻
- 2026-07-09 08:30:12 +0900