Comparison of Raman imaging assessment methods in phase determination and stress analysis of zirconium oxide layer

Spectrochim Acta A Mol Biomol Spectrosc. 2023 Jul 5:295:122625. doi: 10.1016/j.saa.2023.122625. Epub 2023 Mar 15.

Abstract

This work describes Raman imaging and its data evaluation methods by using the software's original features: built-in fitting function and K-means cluster analysis (KMC) followed by fitting in an external environment. For the first time, these methods were compared in terms of their principles, limitations, versatility, and process duration. The performed analysis showed the indispensability of Raman imaging in terms of phase distribution, phase content calculation, and stress determination. Zirconium oxide formed on different zirconium alloys under various oxidation conditions was selected as an exemplary material for this analysis. The reason for the material choice is that it is an excellent example of the application of this type of Raman analysis since both phase distribution and stress analysis in zirconium oxide are of crucial importance for the development of zirconium alloys, especially for nuclear applications. The juxtaposition of the results showed advantages and limitations of both procedures allowing a definition of the criteria for selecting the evaluation method for different applications.

Keywords: Fitting; K-means clustering; Phase distribution; Raman imaging; Stress distribution; Zirconium oxide.