2021 Fiscal Year Annual Research Report
Designing Thermal Functional Materials via Materials Informatics
| Project/Area Number |
19K14902
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| Research Institution | The University of Tokyo |
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Principal Investigator |
鞠 生宏 東京大学, 大学院工学系研究科(工学部), 客員研究員 (30809645)
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| Project Period (FY) |
2019-04-01 – 2022-03-31
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| Keywords | マテリアルズ・インフォマティクス / 伝熱機能材料 |
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| Outline of Annual Research Achievements |
This materials informatics related research project went smoothly in 2021. We have realized high-throughput screening for high thermal conductivity crystals and hydrodynamic thermal transport.
The main achievements are summarized as follows:
(1) The lower-order feature properties and transfer learning have been adopted to explore diamondlike lattice thermal conductivity crystals. We screened over 60000 crystal compounds with phonon scattering phase space as the feature quantity and identified a set of semiconducting compounds with high thermal conductivities.
(2) The key descriptors that determines the magnitude of the intrinsic hydrodynamic effects were revealed by machine learning, most of them related with the phonon relaxation times.
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