The phase transition of nanoparticles which have hierarchic structures
| Project/Area Number |
17K04980
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Nanostructural physics
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| Research Institution | University of Toyama |
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Principal Investigator |
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| Co-Investigator(Kenkyū-buntansha) |
宮永 崇史 弘前大学, 理工学研究科, 教授 (70209922)
小田 竜樹 金沢大学, 数物科学系, 教授 (30272941)
畑田 圭介 富山大学, 学術研究部理学系, 准教授 (00813700)
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| Project Period (FY) |
2017-04-01 – 2021-03-31
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| Project Status |
Completed (Fiscal Year 2020)
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| Budget Amount *help |
¥4,810,000 (Direct Cost: ¥3,700,000、Indirect Cost: ¥1,110,000)
Fiscal Year 2019: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2018: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2017: ¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
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| Keywords | 階層性 / 基本構造間相互作用 / Ｘ線吸収微細構造 / 斜入射小角X線散乱 / 機械学習 / ナノ粒子 / 深層学習 / 局所構造 / 相転移 |
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| Outline of Final Research Achievements |
In the X-ray absorption fine structure analysis of Bi nanoparticles, the A17 structure was used as a reasonable model. In the case of Bi nanoparticles, the interlayer interaction collapses and the Bi nanoparticles become isolated chair-shaped Bi sheets. The model determination by deep learning was effective in GISAXS analysis.
In order to clarify the characteristics of hierarchical elements, the local structure of the 3-helix chain, which is the basic structure of Te, was investigated. The relationship between the inter-chain interaction and the covalent bond length and Einstein temperature was investigated, and it was found that the inter-chain interaction weakens the covalent bond.
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| Academic Significance and Societal Importance of the Research Achievements |
共有結合でできた層状・鎖状構造を基本構造とし、基本構造間の相互作用により２次構造を形成する階層性元素では、基本構造が積み重なって２次構造ができるだけでなく、２次構造が基本構造に影響することを明らかにした。
EXAFSデータを解析するためのプログラムとしてmiXAFSコードを開発し公開した。これは、複数の構成元素の同時解析、構造パラメータ間の相関表示、迅速な解析など、この分野での解析に有用である。一方、GISAXS解析で重要なモデル推定に、機械学習が効果的であることも示した。
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Report
(5 results)
Research Products
(23 results)
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[Presentation] Recent developments on ES2MS package2018
Author(s)
Keisuke Hatada, Fukiko Ota, Naoki Komiya, Kaori Niki, Naoki Nakatani, Alberto Marmodolo,Jan Minar, Hubert Ebert, Calogero R. Natoli, and Didier Sebilleau
Organizer
17th International Conference on X-ray Absorption Fine Structure
Related Report
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