2022 Fiscal Year Final Research Report
Preparation of new inorganic compounds by collaboration of synchrotron X-ray diffraction and materials informatics
Project/Area Number |
20K21234
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Research Category |
Grant-in-Aid for Challenging Research (Exploratory)
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Allocation Type | Multi-year Fund |
Review Section |
Medium-sized Section 36:Inorganic materials chemistry, energy-related chemistry, and related fields
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Research Institution | University of Yamanashi |
Principal Investigator |
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Co-Investigator(Kenkyū-buntansha) |
磯部 敏宏 東京工業大学, 物質理工学院, 准教授 (20518287)
武井 貴弘 山梨大学, 大学院総合研究部, 教授 (50324182)
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Project Period (FY) |
2020-07-30 – 2023-03-31
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Keywords | マテリアルズインフォマティクス / 放射光X線 / 低熱膨張材料 / 結晶構造 / その場観察 |
Outline of Final Research Achievements |
In order to discover inorganic compounds with negative thermal expansion properties, we conducted material search by materials informatics and in-situ measurements using synchrotron X-ray diffraction. We extracted 51 kinds of compounds and performed synchrotron radiation X-ray diffraction measurement, and we were able to find the candidates in zeolite and the other compounds. In particular, by evaluating the thermal expansion properties of Zr2SP2O12 partially substituted Zr solid solution systems by in-situ measurement using synchrotron X-ray diffraction, the effect of element substitution on negative thermal expansion was clarified. In-situ measurement using synchrotron radiation X-ray diffraction was shown to be extremely effective for the evaluation of thermal expansion properties because it is possible to collect highly accurate data in a short period of time.
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Free Research Field |
無機材料科学
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Academic Significance and Societal Importance of the Research Achievements |
本研究ではマテリアルズインフォマティクス的な考え方を基に低熱膨張材料の候補を絞り込み、その熱膨張挙動を放射光X線回折によって短時間に選別することができ、新たな低熱膨張物質を提案することができた。材料開発では長時間を要することが多いが、今回の事例のようにマテリアルズインフォマティクスと放射光X線回折を組み合わせることで、効率的に材料開発を進められることを示したのは今後の材料開発に役立つと考えられる。
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