University of Oulu

Singh, H., Alatarvas, T., Kistanov, A. A., Aravindh, S. A., Wang, S., Zhu, L., Sarpi, B., Niu, Y., Zakharov, A., de Groot, F. M. F., Huttula, M., Cao, W., & Fabritius, T. (2021). Unveiling interactions of non-metallic inclusions within advanced ultra-high-strength steel: A spectro-microscopic determination and first-principles elucidation. Scripta Materialia, 197, 113791. https://doi.org/10.1016/j.scriptamat.2021.113791

Unveiling interactions of non-metallic inclusions within advanced ultra-high-strength steel : a spectro-microscopic determination and first-principles elucidation

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Author: Singh, Harishchandra1; Alatarvas, Tuomas2; Kistanov, Andrey A1;
Organizations: 1Nano and Molecular Systems Research Unit, Centre for Advanced Steels Research, University of Oulu, FIN-90014, Finland
2Process Metallurgy Research Unit, Centre for Advanced Steels Research, University of Oulu, FIN-90014, Finland
3MAX IV Laboratory, Lund University, Lund 22484, Sweden
4Debye Institute for Nanomaterials Science, Utrecht University, Universiteitsweg 99, CG Utrecht 3584, the Netherlands
Format: article
Version: published version
Access: open
Online Access: PDF Full Text (PDF, 2.5 MB)
Persistent link: http://urn.fi/urn:nbn:fi-fe2022032825685
Language: English
Published: Elsevier, 2021
Publish Date: 2022-03-28
Description:

Abstract

Determining non-metallic inclusions (NMIs) are essential to engineer ultra-high-strength steel as they play decisive role on performance and critical to probe via conventional techniques. Herein, advanced Synchrotron X-ray absorption coupled with photoemission electron microscopy and first-principles calculations are employed to provide the structure, local bonding structure and electronic properties of several NMI model systems and their interaction mechanism within and the steel matrix. B K-, N K-, Ca L2,3- and Ti L2,3-edge spectra show that the additional B prefers to result in h-BN exhibiting strong interaction with Ca²⁺. Such Ca²⁺-based phases also stabilize through TiN, revealing the irregular coordination of Ca²⁺. Observed intriguing no interaction between TiN and BN is further supported with the first-principles calculations, wherein unfavorable combination of TiN and h-BN and stabilization of bigger sized Ca²⁺-based inclusions have been found. These observations can help to optimize the interaction mechanism among various inclusions as well as steel matrix.

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Series: Scripta materialia
ISSN: 1359-6462
ISSN-E: 1872-8456
ISSN-L: 1359-6462
Volume: 197
Article number: 113791
DOI: 10.1016/j.scriptamat.2021.113791
OADOI: https://oadoi.org/10.1016/j.scriptamat.2021.113791
Type of Publication: A1 Journal article – refereed
Field of Science: 114 Physical sciences
215 Chemical engineering
Subjects:
DFT
Funding: Authors acknowledge Academy of Finland grant #311934 for the financial support. We also thank the crew of the MAX IV laboratory for their support during the beamtime operation.
Academy of Finland Grant Number: 311934
Detailed Information: 311934 (Academy of Finland Funding decision)
Copyright information: ©2021 The Authors. Published by Elsevier Ltd on behalf of Acta Materialia Inc. This is an open access article under the CC BY license ( http://creativecommons.org/licenses/by/4.0/ ).
  https://creativecommons.org/licenses/by/4.0/