Incommensurate grain-boundary atomic structure

Takehito Seki (), Toshihiro Futazuka, Nobusato Morishige, Ryo Matsubara, Yuichi Ikuhara and Naoya Shibata ()
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Takehito Seki: The University of Tokyo, Yayoi 2-11-16, Bunkyo-ku
Toshihiro Futazuka: The University of Tokyo, Yayoi 2-11-16, Bunkyo-ku
Nobusato Morishige: Kyushu R&D Laboratory, Nippon Steel Corporation, 1-1 Tobihatacho, Tobata-ku, Kitakyushu-shi
Ryo Matsubara: Steel Research Laboratories, Nippon Steel Corporation, 20-1 Shintomi, Futtsu-shi
Yuichi Ikuhara: The University of Tokyo, Yayoi 2-11-16, Bunkyo-ku
Naoya Shibata: The University of Tokyo, Yayoi 2-11-16, Bunkyo-ku

Nature Communications, 2023, vol. 14, issue 1, 1-7

Abstract: Abstract Grain-boundary atomic structures of crystalline materials have long been believed to be commensurate with the crystal periodicity of the adjacent crystals. In the present study, we experimentally observed a Σ9 grain-boundary atomic structure of a bcc crystal (Fe-3%Si). It is found that the Σ9 grain-boundary structure is largely reconstructed and forms a dense packing of icosahedral clusters in its core. Combining with the detailed theoretical calculations, the Σ9 grain-boundary atomic structure is discovered to be incommensurate with the adjacent crystal structures. The present findings shed new light on the study of stable grain-boundary atomic structures in crystalline materials.

Date: 2023
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DOI: 10.1038/s41467-023-43536-0

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