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.; Aravindh, S. Assa; Wang, Shubo; Zhu, Lin; Sarpi, Brice; Niu, Yuran; Zakharov, Alexei; de Groot, F. M.F.; Huttula, Marko; Cao, Wei; Fabritius, Timo
(2021) Scripta Materialia, volume 197, pp. 1 - 6
(Article)
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
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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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Keywords: DFT, Non-metallic inclusion, Synchrotron spectro-microscopy, Ultra-high-strength steel, X-ray absorption spectroscopy, Materials Science(all), Condensed Matter Physics, Mechanics of Materials, Mechanical Engineering, Metals and Alloys
ISSN: 1359-6462
Publisher: Elsevier Limited
Note: Funding Information: 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. Authors also acknowledge Dr. Ulrich Lienert for providing HE-SXRD data using P21.2 beamline, PETRA III, Germany. Authors would like to thank Mr. Tun Tun Nyo for the assistance in sample preparation for SEM and X-PEEM, and the Centre for Material Analysis, University of Oulu is also acknowledged for in-house characterizations. Dr. Harishchandra Singh also thanks Ms. Parisa Talebi and Dr. Ekta Rani for their assistance in compiling the draft. Computing resources were provided by CSC - IT Center for Science, Finland. Funding Information: 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. Authors also acknowledge Dr. Ulrich Lienert for providing HE-SXRD data using P21.2 beamline, PETRA III, Germany. Authors would like to thank Mr. Tun Tun Nyo for the assistance in sample preparation for SEM and X-PEEM, and the Centre for Material Analysis, University of Oulu is also acknowledged for in-house characterizations. Dr. Harishchandra Singh also thanks Ms. Parisa Talebi and Dr. Ekta Rani for their assistance in compiling the draft. Computing resources were provided by CSC - IT Center for Science, Finland. Publisher Copyright: © 2021
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