Zobrazeno 1 - 10
of 139
pro vyhledávání: '"Lee, Joohwi"'
Publikováno v:
npj Computational Materials, 9, 135 (2023)
When a sample's X-ray diffraction pattern (XRD) is measured, the corresponding crystal structure is usually determined by searching for similar XRD patterns in the database. However, if a similar XRD pattern is not found, it is tremendously laborious
Externí odkaz:
http://arxiv.org/abs/2302.10464
Autor:
Lee, Joohwi, Asahi, Ryoji
Publikováno v:
J.Phys.Chem.C 126 (2022) 13548-13559
Recent theoretical and experimental evaluations demonstrated that KLi6TaO6 is a good Li-ion conductor. In this study, the energetics and detailed mechanism of Li-ion migration, relevant to the point defects of KLi6TaO6, were analyzed by first-princip
Externí odkaz:
http://arxiv.org/abs/2203.15384
Autor:
Lee, Joohwi, Asahi, Ryoji
For successful applications of machine learning in materials informatics, it is necessary to overcome the inaccuracy of predictions ascribed to insufficient amount of data. In this study, we propose a transfer learning using a crystal graph convoluti
Externí odkaz:
http://arxiv.org/abs/2007.09932
Publikováno v:
npj Computational Materials 3, 52 (2017)
First-principles-based materials screening is systematically performed to discover new combinations of chemical elements possibly making shape-memory alloys (SMAs). The B2, D03, and L21 crystal structures are considered as the parent phases, and the
Externí odkaz:
http://arxiv.org/abs/1702.02734
Publikováno v:
In Journal of the European Ceramic Society July 2021 41(8):4516-4527
Publikováno v:
Phys. Rev. B 93, 115104 (2016)
Machine learning techniques are applied to make prediction models of the G0W0 band-gaps for 156 AX binary compounds using Kohn-Sham band-gaps and other fundamental information of constituent elements and crystal structure as predictors. Ordinary leas
Externí odkaz:
http://arxiv.org/abs/1509.00973
Publikováno v:
Inorganic Chemistry. 60(14):10371-10379
We study a hexagonal oxide KLi6TaO6 (KLTO), proposed as a Li-ion solid electrolyte, by using a recently developed screening method. First-principles calculations predict that KLTO presents a good Li-ion conductivity (σLi) and a low activation energy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=jairo_______::c439d31c9c1aabb8e274b3cc4dee42fc
https://nagoya.repo.nii.ac.jp/records/2001915
https://nagoya.repo.nii.ac.jp/records/2001915
Publikováno v:
Journal of Applied Physics; 2019, Vol. 125 Issue 5, pN.PAG-N.PAG, 18p, 4 Diagrams, 2 Charts, 8 Graphs
Akademický článek
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