6 records found. Displaying records 1 to 6.
Stable HCP high-entropy alloys identified by knowledge-based screening and valence electron concentration criteria
- Journal article
- Creator
-
;Hiroshi Mizuseki (author) (Search by this author)Ryoji Sahara (author) (Search by this author)National Institute for Materials Science
;
Kenta Hongo (author) (Search by this author) - Keyword
- high entropy alloy, high throughput first-principles calculation
- Date published
- 2026-02-26
- Updated at
- 2026-08-28 14:13:38 +0900
Distance-insensitive Graph Neural Networks and multi-task learning for accurate prediction of adsorption energies on alloy nanoclusters
- Journal article
- Creator
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;Koki Otsuka (author) (Search by this author)Anh Khoa Augustin Lu (author) (Search by this author)
;
Koji Shimizu (author) (Search by this author)
https://orcid.org/0000-0001-5622-9582
(unauthenticated)
;
Satoshi Watanabe (author) (Search by this author)
https://orcid.org/0000-0002-8069-6938
(unauthenticated)
- Keyword
- Adsorption energy prediction, Graph neural networks, Multi-task learning, Alloy nanoclusters, Catalyst screening
- Date published
- 2026-08-14
- Updated at
- 2026-08-18 13:40:15 +0900
Active learning for predicting the enthalpy of mixing in binary liquids based on ab initio molecular dynamics
- Journal article
- Creator
-
Quentin Bizot (author) (Search by this author)
https://orcid.org/0000-0002-4314-2266
(unauthenticated)
;
Ryo Tamura (author) (Search by this author)
;
Guillaume Deffrennes (author) (Search by this author)
https://orcid.org/0000-0002-3752-2537
(unauthenticated)
- Keyword
- CALPHAD, Machine learning
- Date published
- 2026-02-07
- Updated at
- 2026-04-01 13:44:57 +0900
Valence electron concentration-dependent stability of L1, D023, and D022 ordered phases in high-entropy alloys
- Journal article
- Creator
-
;Hiroshi Mizuseki (author) (Search by this author)Ryoji Sahara (author) (Search by this author)National Institute for Materials Science
;
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
Numerical simulation method for the laser powder bed fusion process by lattice Boltzmann and multi-phase field methods
- Journal article
- Creator
-
Sukeharu Nomoto (author) (Search by this author)National Institute for Materials Science
;
Masahiro Kusano (author) (Search by this author)National Institute for Materials Science
;
Tomonori Kitashima (author) (Search by this author)National Institute for Materials Science
;
Makoto Watanabe (author) (Search by this author)National Institute for Materials Science
- Keyword
- Laser powder bed fusion, Conserved Allen-Cahn equation, Multi-phase field method, Solidification microstructure evolution, Nickel alloy, MPI and OpenMP, Modified lattice kinetic scheme
- Date published
- 2025-01-20
- Updated at
- 2025-04-20 17:34:33 +0900
The contribution of Cr and Ni to hydrogen absorption energy in Fe-Cr-Ni austenitic systems: A first-principles study
- Journal article
- Creator
-
;Junichiro Moriyama (author) (Search by this author);Osamu Takakuwa (author) (Search by this author);Masatake Yamaguchi (author) (Search by this author)Yuhei Ogawa (author) (Search by this author)National Institute for Materials Science
;
Kaneaki Tsuzaki (author) (Search by this author)National Institute for Materials Science
- Keyword
- Austenitic alloy, First-principles calculation, Hydrogen, Absorption energy, Occupancy
- Date published
- 2023-11-11
- Updated at
- 2025-11-11 08:30:25 +0900