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

SCRIPTA MATERIALIA

卷:197

Article

Singh, Harishchandra¹  Alatarvas, Tuomas²  Kistanov, Andrey A.¹  Aravindh, S. Assa¹  Wang, Shubo¹  Zhu, Lin³  Sarpi, Brice³  Niu, Yuran³  Zakharov, Alexei³  de Groot, F. M. F.⁴  Huttula, Marko¹  Cao, Wei¹  Fabritius, Timo² 

[1] Univ Oulu, Ctr Adv Steels Res, Nano & Mol Syst Res Unit, FIN-90014 Oulu, Finland

[2] Univ Oulu, Ctr Adv Steels Res, Proc Met Res Unit, FIN-90014 Oulu, Finland

[3] Lund Univ, Max Lab 4, S-22484 Lund, Sweden

[4] Univ Utrecht, Debye Inst Nanomat Sci, Univ Weg 99, NL-3584 CG Utrecht, Netherlands

关键词: Non-metallic inclusion;    Ultra-high-strength steel;    Synchrotron spectro-microscopy;    X-ray absorption spectroscopy;    DFT;   

DOI  :  10.1016/j.scriptamat.2021.113791

来源: Elsevier

【 摘 要 】

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 L-2,L-3- and Ti L-2,L-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. (C) 2021 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

【 授权许可】

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