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Enhanced characterization of non-metallic inclusions in ultra-high-strength steels using advanced synchrotron-based X-ray absorption spectroscopy and chemometric analysis

Kharbach, Mourad ; Mansouri, Mohammed Alaoui ; Rani, Ekta ; Singh, Harishchandra ; Alatarvas, Tuomas ; Sarpi, Brice LU ; Zhu, Lin LU orcid ; Niu, Yuran LU ; Zakharov, Alexei LU and Launonen, Ilkka , et al. (2025) In Journal of Materials Research and Technology 35. p.3322-3332
Abstract

This study leverages synchrotron radiation-based X-ray absorption photoemission electron microscopy (X-PEEM) to investigate non-metallic inclusions (NMIs) in ultra-high-strength steels. By acquiring Ca-L2,3-edge X-ray absorption spectra from six NMIs at both room temperature and 400 °C, we analyze their structural changes, chemical compositions, and phase transformations. To extract meaningful insights from complex X-PEEM images, advanced chemometric data analysis is employed. Multivariate Curve Resolution (MCR-ALS) is utilized to provide an unbiased analysis, revealing pure spectra and concentration profiles of NMIs before and after annealing. This approach maintains the integrity of the results while uncovering NMI... (More)

This study leverages synchrotron radiation-based X-ray absorption photoemission electron microscopy (X-PEEM) to investigate non-metallic inclusions (NMIs) in ultra-high-strength steels. By acquiring Ca-L2,3-edge X-ray absorption spectra from six NMIs at both room temperature and 400 °C, we analyze their structural changes, chemical compositions, and phase transformations. To extract meaningful insights from complex X-PEEM images, advanced chemometric data analysis is employed. Multivariate Curve Resolution (MCR-ALS) is utilized to provide an unbiased analysis, revealing pure spectra and concentration profiles of NMIs before and after annealing. This approach maintains the integrity of the results while uncovering NMI behaviors, including the identification of new calcium phases. The challenge of assigning calcium phase identities to the spectra extracted by MCR-ALS is addressed using a comprehensive reference database and the Hit Quality Index (HQI), which effectively matches most NMIs before annealing to the calcium phosphate phase. Principal Component Analysis (PCA) and Hierarchical Clustering Analysis (HCA) further elucidate the relationships between calcium phases and NMIs during annealing. For classifying NMIs based on annealing history and calcium phase changes, Partial Least Squares Discriminant Analysis (PLS-DA) and Soft Independent Modeling of Class Analogy (SIMCA) are applied, with PLS-DA demonstrating superior classification accuracy. By analyzing complex X-PEEM data, we uncover valuable information about NMIs' responses to annealing processes and their classification based on calcium phase changes.

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type
Contribution to journal
publication status
published
subject
keywords
Chemometrics, Multivariate data analysis, Non-metallic inclusions, Photoemission electron microscopy, Steel properties, Synchrotron X-ray absorption
in
Journal of Materials Research and Technology
volume
35
pages
11 pages
publisher
Elsevier
external identifiers
  • scopus:85217513464
ISSN
2238-7854
DOI
10.1016/j.jmrt.2025.02.024
language
English
LU publication?
yes
id
9b9f0993-edb5-4052-b78b-5b175bee14e7
date added to LUP
2025-03-20 13:45:13
date last changed
2025-04-04 13:59:34
@article{9b9f0993-edb5-4052-b78b-5b175bee14e7,
  abstract     = {{<p>This study leverages synchrotron radiation-based X-ray absorption photoemission electron microscopy (X-PEEM) to investigate non-metallic inclusions (NMIs) in ultra-high-strength steels. By acquiring Ca-L<sub>2,3</sub>-edge X-ray absorption spectra from six NMIs at both room temperature and 400 °C, we analyze their structural changes, chemical compositions, and phase transformations. To extract meaningful insights from complex X-PEEM images, advanced chemometric data analysis is employed. Multivariate Curve Resolution (MCR-ALS) is utilized to provide an unbiased analysis, revealing pure spectra and concentration profiles of NMIs before and after annealing. This approach maintains the integrity of the results while uncovering NMI behaviors, including the identification of new calcium phases. The challenge of assigning calcium phase identities to the spectra extracted by MCR-ALS is addressed using a comprehensive reference database and the Hit Quality Index (HQI), which effectively matches most NMIs before annealing to the calcium phosphate phase. Principal Component Analysis (PCA) and Hierarchical Clustering Analysis (HCA) further elucidate the relationships between calcium phases and NMIs during annealing. For classifying NMIs based on annealing history and calcium phase changes, Partial Least Squares Discriminant Analysis (PLS-DA) and Soft Independent Modeling of Class Analogy (SIMCA) are applied, with PLS-DA demonstrating superior classification accuracy. By analyzing complex X-PEEM data, we uncover valuable information about NMIs' responses to annealing processes and their classification based on calcium phase changes.</p>}},
  author       = {{Kharbach, Mourad and Mansouri, Mohammed Alaoui and Rani, Ekta and Singh, Harishchandra and Alatarvas, Tuomas and Sarpi, Brice and Zhu, Lin and Niu, Yuran and Zakharov, Alexei and Launonen, Ilkka and Huttula, Marko and Sillanpaa, Mikko J. and Urpelainen, Samuli}},
  issn         = {{2238-7854}},
  keywords     = {{Chemometrics; Multivariate data analysis; Non-metallic inclusions; Photoemission electron microscopy; Steel properties; Synchrotron X-ray absorption}},
  language     = {{eng}},
  pages        = {{3322--3332}},
  publisher    = {{Elsevier}},
  series       = {{Journal of Materials Research and Technology}},
  title        = {{Enhanced characterization of non-metallic inclusions in ultra-high-strength steels using advanced synchrotron-based X-ray absorption spectroscopy and chemometric analysis}},
  url          = {{http://dx.doi.org/10.1016/j.jmrt.2025.02.024}},
  doi          = {{10.1016/j.jmrt.2025.02.024}},
  volume       = {{35}},
  year         = {{2025}},
}