Numerical atomic basis orbitals from H to Kr
- ジャーナル論文
- 著者
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;T. Ozaki (author) (この著者で検索)H. Kino (author) (この著者で検索)National Institute for Materials Science
- キーワード
- OpenMX, first-principles calculation, DFT, LCAO, numerical atomic basis, benchmark, molecules, bulks
- 刊行年月日
- 2004-05-28
- 更新時刻
- 2024-01-05 22:11:39 +0900
Crystal structure, stability and Li superionic conductivity of pyrochlore-type solid electrolyte Li2−xLa(1+x)/3Nb2O6F: a first-principles calculation study
- ジャーナル論文
- 著者
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Randy Jalem (author) (この著者で検索)National Institute for Materials Science
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Kazunori Takada (author) (この著者で検索)National Institute for Materials Science
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;Hitoshi Onodera (author) (この著者で検索)Shuhei Yoshida (author) (この著者で検索) - キーワード
- all solid state batteries, solid electrolytes, first-principles calculation, molecular dynamics simulations
- 刊行年月日
- 2024-10-28
- 更新時刻
- 2025-10-28 08:30:19 +0900
First-principles study on the stability of interstitial carbon and nitrogen and their influence on the plastic deformation mechanisms in a Co–Cr–W–Ni quaternary alloy
- ジャーナル論文
- 著者
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;Kai Hiyama (author) (この著者で検索);Nana Ito (author) (この著者で検索)Ryoji Sahara (author) (この著者で検索)National Institute for Materials Science
;
;Kyosuke Ueda (author) (この著者で検索)Takayuki Narushima (author) (この著者で検索) - キーワード
- Co-Cr-W-Ni alloy, biomaterial, first-principles calculation
- 刊行年月日
- 2026-08-17
- 更新時刻
- 2026-08-28 14:08:19 +0900