Development of multiscale alloy strength simulator based on dislocation-precipitate interactions

2023 Fiscal Year Final Research Report

• Project/Area Number: 21K11924
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Review Section: Basic Section 60100:Computational science-related
• Research Institution: Tokyo University of Science
• Principal Investigator: Takahashi Akiyuki 東京理科大学, 創域理工学部機械航空宇宙工学科, 教授 (00366444)
• Project Period (FY): 2021-04-01 – 2024-03-31
• Keywords: 重合メッシュ法 / 転位動力学法 / 転位ー析出物相互作用 / 合金 / 微視的組織 / 臨界分解せん断応力

Outline of Final Research Achievements

An alloy strength simulator has been developed that combines the s-version finite element method, which calculates the internal stresses created by precipitates with coherency strain, and the dislocation dynamics method, which simulates the behavior of dislocations under internal stress. The conditions for accurately calculating dislocation behavior under internal stress and the conditions for implementing the dislocation dynamics method were clarified. Furthermore, alloy models with different volume fractions of precipitates were developed and the effects of volume fractions and distribution of precipitates were investigated. It was confirmed that the larger the volume fraction of precipitates, the larger the critical resolved shear stress required for dislocation migration. In the model with distributed precipitates, the critical resolved shear stress was higher for the case with spherical precipitates than for the case with disk-shaped precipitates.

Free Research Field

材料強度学，材料力学，計算力学

Academic Significance and Societal Importance of the Research Achievements

本研究で開発した合金強度シミュレータは，様々な析出物の形状および分布を有する合金強度評価の可能性を飛躍的に向上させることが期待できる．重合メッシュ法を用いてローカルメッシュで析出物をモデル化することにより，析出物のモデル化の労力を著しく低下させることに成功した．さらに重合メッシュ法で計算した内部応力を転位動力学法で用いることによって，転位と析出物の相互作用を精度良く計算可能であることを示すことに成功した．本シミュレータを応用することによって，合金の強度に対する析出物の形状と分布の影響の理解が深化し，今後更なる強度を有する合金設計への貢献が期待できる．