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Finding “Trigger Sites” of Reactions Among Heterogeneous Materials from X-ray Microscopic Big Data Using Persistent Homology

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TMS 2024 153rd Annual Meeting & Exhibition Supplemental Proceedings (TMS 2024)

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Abstract

Material properties are typically determined by specific features such as the heterogeneity (or “trigger sites”) of phases and chemical states. Trigger sites have been investigated in systems such as structural materials and batteries by using multiscale X-ray microscopy (XRM). However, identifying trigger sites manually or via computers has been challenging because the data involved are large and multidimensional. In this study, we developed a new approach to determine trigger sites on the basis of shapes of heterogeneity in XRM data by using persistent homology (PH) analysis. Our results revealed the following two aspects: (1) the trigger sites for the heterogeneous reduction of iron ore sinters, the complex of Ca–Fe–O oxides, and pores; and (2) the crack initiation sites at the nanoscale in carbon-fiber-reinforced plastics (CFRPs) under load. We could “non-empirically” identify trigger sites from the big data obtained by XRM. This approach can be applied to identify trigger sites in various materials.

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References

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Acknowledgements

The following funds supported this work: (1) Grant-in-Aid for Transformative Research Areas (A) 22H05109 by JSPS; (2) JST-Mirai Program JPMJMI20C2 and JPMJMI22C1; and (3) KAKENHI JP19H00834 and JP20H02028. The experiments using synchrotron radiation were performed with the approval of the Photon Factory Program Advisory Committee (Proposal Nos. 2015S2-002, 2016S2-001, 2019S2-002, and 2022S2-001).

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Correspondence to Masao Kimura .

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Kimura, M., Obayashi, I., Kido, D., Niwa, Y., Gao, X., Akagi, K. (2024). Finding “Trigger Sites” of Reactions Among Heterogeneous Materials from X-ray Microscopic Big Data Using Persistent Homology. In: TMS 2024 153rd Annual Meeting & Exhibition Supplemental Proceedings. TMS 2024. The Minerals, Metals & Materials Series. Springer, Cham. https://doi.org/10.1007/978-3-031-50349-8_67

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