Development of fundamental technology for controlling deformability of nickel aluminide using data science

2023 Fiscal Year Final Research Report

• Project/Area Number: 21K04730
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Review Section: Basic Section 26050:Material processing and microstructure control-related
• Research Institution: National Institute for Materials Science
• Principal Investigator: DEMURA Masahiko 国立研究開発法人物質・材料研究機構, 技術開発・共用部門, 部門長 (10354177)
• Co-Investigator(Kenkyū-buntansha): 譯田 真人 国立研究開発法人物質・材料研究機構, 構造材料研究拠点, 主任研究員 (00550203)
• Project Period (FY): 2021-04-01 – 2024-03-31
• Keywords: 金属間化合物 / 転位相互作用 / 結晶塑性解析 / データ駆動 / 分子動力学 / 機械学習ポテンシャル / 面欠陥エネルギー / 熱力学的積分法

Outline of Final Research Achievements

To establish guidelines for controlling the workability of nickel aluminide, a method was developed to quantitatively elucidate the impact of specific dislocation reactions that govern deformation. First, the interaction of dislocation reactions governing deformation was analyzed by integrating the results of single crystal rolling experiments with crystal plasticity calculations and data science methods. As a result, it was confirmed that the dislocation reaction called Glissile Junction (GJ) in face-centered cubic metals is a factor that hinders the workability of nickel aluminide. Furthermore, it was revealed that if the interaction parameter of GJ is 10 or higher, the multiple single crystal rolling experiment results can be reproduced. Next, technology for predicting the stacking fault energy governing dislocation reactions with first-principles accuracy using machine learning potentials was successfully developed.

Free Research Field

データ駆動材料工学

Academic Significance and Societal Importance of the Research Achievements

本研究課題で開発した手法は、ニッケルアルミナイドの加工性を制御するための指針を与えるものである。ニッケルアルミナイドはニッケル基超合金の高温強度を担う相であり、本研究成果はこれらの実用上重要な合金についても有効な指針を与えるものと期待できる。加えて、直接計測が難しい転位反応の相互作用や面欠陥エネルギーを定量的に明らかにできる手法は、他の合金への波及が期待できる。