Unveiling interactions of non-metallic inclusions within advanced ultra-high-strength steel : a spectro-microscopic determination and first-principles elucidation
Singh, Harishchandra; Alatarvas, Tuomas; Kistanov, Andrey A; Assa Aravindh, Sasikala Devi; Wang, Shubo; Zhu, Lin; Sarpi, Brice; Niu, Yuran; Zakharov, Alexei; de Groot, F.M.F.; Huttula, Marko; Cao, Wei; Fabritius, Timo (2021-02-13)
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
©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/
https://urn.fi/URN:NBN:fi-fe2022032825685
Tiivistelmä
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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