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

Harishchandra Singh, Tuomas Alatarvas, Andrey A. Kistanov, S. Assa Aravindh, Shubo Wang, Lin Zhu, Brice Sarpi, Yuran Niu, Alexei Zakharov, F. M.F. de Groot, Marko Huttula, Wei Cao, Timo Fabritius

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish
Article number113791
JournalScripta Materialia
Volume197
DOIs
Publication statusPublished - 2021

Subject classification (UKÄ)

  • Metallurgy and Metallic Materials

Keywords

  • DFT
  • Non-metallic inclusion
  • Synchrotron spectro-microscopy
  • Ultra-high-strength steel
  • X-ray absorption spectroscopy

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