11 records found.
Roles of Carrier Doping, Band Gap, and Electron Relaxation Time in the Boltzmann Transport Calculations of a Semiconductor’s Thermoelectric Properties
- Journal article
- Creator
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Yukari Katsura (author) (Search by this author)National Institute for Materials Science
;
;Hidenori Takagi (author) (Search by this author)Kaoru Kimura (author) (Search by this author) - Keyword
- thermoelectric properties, Boltzmann transport calculation, first-principles calculation
- Date published
- 2018-07-01
- Updated at
- 2024-11-22 16:30:51 +0900
Atomic descriptors generated from coordination polyhedra in crystal structures
- Journal article
- Creator
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;Yuki Inada (author) (Search by this author)Yukari Katsura (author) (Search by this author)National Institute for Materials Science
;
;Masaya Kumagai (author) (Search by this author)Kaoru Kimura (author) (Search by this author)
- Keyword
- Materials informatics, machine learning, atomic descriptors, coordination polyhedra, formation energy prediction, band gap prediction
- Date published
- 2021-01-01
- Updated at
- 2024-11-21 16:35:29 +0900
Phase Equilibria in Aluminium–Ruthenium–Silicon System near 1200 Kelvin
- Journal article
- Creator
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;Koichi Kitahara (author) (Search by this author);Hiroyuki Takakura (author) (Search by this author)Yutaka Iwasaki (author) (Search by this author)National Institute for Materials Science
;
Kaoru Kimura (author) (Search by this author)National Institute for Materials Science
- Keyword
- aluminium–ruthenium–silicon system, phase equilibrium, crystal structure, X-ray diffraction, electron-probe X-ray microanalysis, incommensurate composite crystal, quasicrystal
- Date published
- 2024-01-01
- Updated at
- 2024-12-13 12:30:48 +0900
Thermodynamic stability of elemental boron allotropes with varying numbers of interstitial atoms
- Journal article
- Creator
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Wataru Hayami (author) (Search by this author)National Institute for Materials Science
;
Takanobu Hiroto (author) (Search by this author)National Institute for Materials Science
;
;Kohei Soga (author) (Search by this author);Tadashi Ogitsu (author) (Search by this author)Kaoru Kimura (author) (Search by this author)
- Keyword
- boron, phase transition
- Date published
- 2023-10-20
- Updated at
- 2025-10-21 15:49:44 +0900
Thermoelectric properties of semiconducting approximant crystals in the Al–Ge–Ru system
- Journal article
- Creator
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Yutaka Iwasaki (author) (Search by this author)
;
;Yasuhiro Niwa (author) (Search by this author)Koichi Kitahara (author) (Search by this author)
https://orcid.org/0009-0007-4557-4816
(unauthenticated)
;
;Kaoru Kimura (author) (Search by this author)Ryuji Tamura (author) (Search by this author) - Keyword
- Quasicrystal
- Date published
- 2025-11-20
- Updated at
- 2025-11-25 16:30:03 +0900
High-Temperature Atomic Diffusion and Specific Heat in Quasicrystals
- Journal article
- Creator
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;Yuki Nagai (author) (Search by this author)Yutaka Iwasaki (author) (Search by this author)National Institute for Materials Science
;
;Koichi Kitahara (author) (Search by this author)Yoshiki Takagiwa (author) (Search by this author)
https://orcid.org/0000-0003-4508-1708
(unauthenticated)
National Institute for Materials Science
;
Kaoru Kimura (author) (Search by this author)National Institute for Materials Science
;
Motoyuki Shiga (author) (Search by this author)
- Keyword
- Quasicrystal, specific heat, machine-learning molecular dynamics, phason
- Date published
- 2024-05-10
- Updated at
- 2024-08-19 12:30:16 +0900
Comprehensive experimental datasets of quasicrystals and their approximants
- Journal article
- Creator
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Erina Fujita (author) (Search by this author)Center for Basic Research on Materials/Data-driven Materials Research Field/Materials Modeling Group, National Institute for Materials Science
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;Chang Liu (author) (Search by this author)The Institute of Statistical Mathematics;Asuka Ishikawa (author) (Search by this author)Tokyo University of Science, Graduate School of Advanced Engineering Department of Materials Science and TechnologyTomoya Mato (author) (Search by this author)Center for Basic Research on Materials/Data-driven Materials Research Field/Materials Modeling Group, National Institute for Materials Science
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;Koichi Kitahara (author) (Search by this author)National Defense Academy;Ryuji Tamura (author) (Search by this author)Tokyo University of Science, Graduate School of Advanced Engineering Department of Materials Science and TechnologyKaoru Kimura (author) (Search by this author)The Institute of Statistical Mathematics
;
Ryo Yoshida (author) (Search by this author)
https://orcid.org/0000-0001-8092-0162
(unauthenticated)
The Institute of Statistical Mathematics
;
Yukari Katsura (author) (Search by this author)Center for Basic Research on Materials/Data-driven Materials Research Field/Materials Modeling Group, National Institute for Materials Science
- Keyword
- Databases, Electronic properties and materials, Metals and alloys
- Date published
- 2024-11-13
- Updated at
- 2024-12-05 12:47:25 +0900
Quasicrystals predicted and discovered by machine learning
- Journal article
- Creator
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;Chang Liu (author) (Search by this author);Koichi Kitahara (author) (Search by this author);Asuka Ishikawa (author) (Search by this author)Takanobu Hiroto (author) (Search by this author)National Institute for Materials Science
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Alok Singh (author) (Search by this author)National Institute for Materials Science
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Erina Fujita (author) (Search by this author)National Institute for Materials Science
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Yukari Katsura (author) (Search by this author)National Institute for Materials Science
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;Yuki Inada (author) (Search by this author);Ryuji Tamura (author) (Search by this author)Kaoru Kimura (author) (Search by this author)National Institute for Materials Science
;
Ryo Yoshida (author) (Search by this author)
https://orcid.org/0000-0001-8092-0162
(unauthenticated)
- Keyword
- Crystal forms, Crystal phenomena, Crystal structure, Alloys, Machine learning
- Date published
- 2023-09-25
- Updated at
- 2024-11-21 16:36:03 +0900
Data-driven analysis of electron relaxation times in PbTe-type thermoelectric materials
- Journal article
- Creator
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Yukari Katsura (author) (Search by this author)National Institute for Materials Science
;
;Masaya Kumagai (author) (Search by this author);Takushi Kodani (author) (Search by this author);Mitsunori Kaneshige (author) (Search by this author);Yuki Ando (author) (Search by this author)National Institute for Materials Science;Sakiko Gunji (author) (Search by this author);Yoji Imai (author) (Search by this author);Hideyasu Ouchi (author) (Search by this author);Kazuki Tobita (author) (Search by this author);Kaoru Kimura (author) (Search by this author)Koji Tsuda (author) (Search by this author)National Institute for Materials Science
- Keyword
- materials informatics, database, data curation, thermoelectric materials, first-principles calculation, electron relaxation time
- Date published
- 2019-12-31
- Updated at
- 2024-10-10 16:31:01 +0900
Deep Learning Enables Rapid Identification of a New Quasicrystal from Multiphase Powder Diffraction Patterns
- Journal article
- Creator
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;Hirotaka Uryu (author) (Search by this author);Tsunetomo Yamada (author) (Search by this author);Koichi Kitahara (author) (Search by this author)Alok Singh (author) (Search by this author)National Institute for Materials Science
;
Yutaka Iwasaki (author) (Search by this author)National Institute for Materials Science
;
Kaoru Kimura (author) (Search by this author)National Institute for Materials Science
;
;Kanta Hiroki (author) (Search by this author);Naoki Miyao (author) (Search by this author);Asuka Ishikawa (author) (Search by this author);Ryuji Tamura (author) (Search by this author);Satoshi Ohhashi (author) (Search by this author);Chang Liu (author) (Search by this author)Ryo Yoshida (author) (Search by this author)
- Keyword
- deep learning, x-ray powder diffraction, quasicrystal, phase identification, machine learning
- Date published
- 2023-11-14
- Updated at
- 2024-12-13 12:30:39 +0900