Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Ushio Matsumoto"'
Publikováno v:
Physical Chemistry Chemical Physics. 24:1503-1509
Oxide-ion diffusion pathways in brownmillerite oxides Ca2AlMnO5 and Ca2AlMnO5.5 are systematically investigated using first-principles calculations.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::303185d6d7edb23dc99ee98cb6704a69
https://doi.org/10.1039/d1cp05174a
https://doi.org/10.1039/d1cp05174a
Publikováno v:
The Journal of Physical Chemistry C. 125:20460-20467
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f544d47b3d0cce07d71c115cb3b0e83c
https://doi.org/10.1021/acs.jpcc.1c03610
https://doi.org/10.1021/acs.jpcc.1c03610
Autor:
Shusuke Kasamatsu, Yuichi Motoyama, Kazuyoshi Yoshimi, Ushio Matsumoto, Akihide Kuwabara, Takafumi Ogawa
Publikováno v:
The Journal of chemical physics. 157(10)
We propose a scheme for ab initio configurational sampling in multicomponent crystalline solids using Behler–Parinello type neural network potentials (NNPs) in an unconventional way: the NNPs are trained to predict the energies of relaxed structure
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ae5ec27989f8b7ed744c7c54af6fd8f9
https://pubmed.ncbi.nlm.nih.gov/36109212
https://pubmed.ncbi.nlm.nih.gov/36109212
Autor:
Naoki Kawashima, Ushio Matsumoto, Makoto Tanaka, Takafumi Ogawa, Satoshi Kitaoka, Emi Kawai, Miyuki Takeuchi, Tsuneaki Matsudaira
Publikováno v:
Journal of the Ceramic Society of Japan. 129:22-31
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::950876a630a9b0feb01fdcd2c77aa454
https://doi.org/10.2109/jcersj2.20165
https://doi.org/10.2109/jcersj2.20165
Publikováno v:
The Journal of Physical Chemistry C. 124:20555-20562
Crystal structures and energetics of a series of A2B2O7 (A = Lu3+–La3+, B = Zr4+, Hf4+, Sn4+, and Ti4+) compounds were systematically investigated using first-principles calculations. Experimentall...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9470221ab6f15762512ce18ab310f9d3
https://doi.org/10.1021/acs.jpcc.0c05443
https://doi.org/10.1021/acs.jpcc.0c05443
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(3)
Oxide-ion diffusion pathways in brownmillerite oxides Ca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::231aab2a974d3e7a72d5b3ec32a7ab2a
https://pubmed.ncbi.nlm.nih.gov/34935816
https://pubmed.ncbi.nlm.nih.gov/34935816
Autor:
Makoto Tanaka, Naoki Kawashima, Ushio Matsumoto, Asai Kenta, Satoshi Kitaoka, Takafumi Ogawa, Fujio Izumi, Osamu Sakurada, Michiyuki Yoshida
Publikováno v:
Journal of Solid State Chemistry. 287:121328
Crystal structural, thermal and mechanical properties of Yb2+xTi2−xO7−x/2 solid solutions annealed at 1673 K were investigated for x from 0.05 to 1.02. From Rietveld refinements and electron density distributions determined by the maximum-entr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cf1e33f529e044d230c6316c29ff47cd
https://doi.org/10.1016/j.jssc.2020.121328
https://doi.org/10.1016/j.jssc.2020.121328
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