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Important Descriptors and Descriptor Groups of Curie Temperatures of Rare-earth Transition-metal Binary Alloys

J. Phys. Soc. Jpn. 87, 113801 (2018)

2018年10月29日(月)

Hieu Chi Dam, Viet Cuong Nguyen, Tien Lam Pham, Anh Tuan Nguyen, Kiyoyuki Terakura,Takashi Miyake, and Hiori Kino ( https://doi.org/10.7566/JPSJ.87.113801 )

Abstract

We analyze the Curie temperatures of rare-earth transition metal binary alloys using machinelearning. In order to select important descriptors and descriptor groups, we introduce a newlydeveloped subgroup relevance analysis and adopt hierarchical clustering in the representation.We execute exhaustive search and demonstrate that our approach results in the successfulselection of important descriptors and descriptor groups. It helps us to choose thecombination of descriptors and to understand the meaning of the selected combination ofdescriptors.

その他特記事項

This work was partly supported by PRESTO and by the “Materials Research by Information Integration” Initiative (MI2I) project of the Support Program for Starting Up Innovation Hub, both from the Japan Science and Technology Agency (JST), Japan; by the Elements Strategy Initiative Project under the auspices of MEXT; and also by MEXT as a social and scientific priority issue (Creation of New Functional Devices and High-Performance Materials to Support Next-Generation Industries; CDMSI) to be tackled by using a post-K computer. The calculations were partly carried out on Numerical Materials Simulator at NIMS.


研究活動

文部科学省

文部科学省
元素戦略プロジェクト(活動紹介)
NIMS磁石パートナーシップ

元素戦略拠点

触媒・電池元素戦略拠点
触媒・電池元素戦略研究拠点 (京都大学)
東工大元素戦略拠点
東工大元素戦略拠点 (東京工業大学)
構造材料元素戦略研究拠点
構造材料元素戦略研究拠点 (京都大学)
高効率モーター用磁性材料技術研究組合
高効率モーター用 磁性材料技術研究組合