Synchrotron radiation (SR) has been widely applied in various fields of materials science. Especially, the temporal and spatial observation of various reactions is the biggest advantage of using SR. In the presentation, in situ observations with various ranges of time and space are presented:
(a) Temporal: iron-ore sintering (~min.), Fe-C phase transition (~msec.), and metal fracture (~nano sec);
(b) Spatial: iron-ore sintering (~μm) and iron-oxide reduction (~nm).
Time-resolved XRD and XAFS successfully revealed the reaction schemes of iron ore sintering, resulting in a new concept: a CCT diagram for sintering to optimize the sintering process. The combination of XRD and DXAFS (dispersive X-ray Absorption Fine Structures) allowed us to observe changes in short- and long-range order simultaneously during reactions such as phase transition and fracture at a timescale of nano sec~msec. The metastable states with middle-range order appear during the reactions, which is crucial information for understanding and controlling the reactions.
X-ray micro-spectroscopy, which involves X-CT measurements at different energies, can visualize 3D distributions of chemical states as well as microstructures. This technique provides us with information about the heterogeneity of reactions, which is essential for controlling reactions in real materials.
Temporal and spatial observation of reactions produces multi-dimensional big data. Therefore, it is rather difficult to “see” the data and find the location and timing of the formation of “trigger sites” which initiate and control reactions. We performed topological data analysis (TDA) to find “trigger sites” automatically, which can break the limitation of the empirical approach based on previous experience and knowledge. Cracks are formed within the sinter during the reduction of iron ore sinter, which is of great interest for industrial applications. We could non-empirically identify “trigger sites” of cracking from X-ray micro-spectroscopy data using persistent homology, a TDA approach widely applied to various systems.
Finally, I would like to discuss future directions in temporal and spatial observation of various reactions using synchrotron radiation, and the application of mathematics and/or informatics to analyze multidimensional big data.