First-principles study of grain boundary sliding in $\ensuremath{\alpha}\text{\ensuremath{-}}{\mathrm{Al}}_{2}{\mathrm{O}}_{3}$

First-principles study of grain boundary sliding in $α − {Al}_{2} O_{3}$

Kaoru Nakamura, Teruyasu Mizoguchi, Naoya Shibata, Katsuyuki Matsunaga, Takahisa Yamamoto, and Yuichi Ikuhara

Phys. Rev. B 75, 184109 – Published 18 May 2007; Erratum Phys. Rev. B 84, 059903 (2011)

Abstract

First-principles plane wave basis calculations were performed to investigate the atomic-scale mechanism of grain boundary (GB) sliding along the $Σ 13$ pyramidal twin GB in $α − {Al}_{2} O_{3}$ . It was found that the GB sliding takes place with successive breaking and rebonding of Al-O bonds across the GB core, and eventually results in migration of the GB plane. From detailed chemical bonding analyses, such atomic scale GB sliding behavior can be attributed to the bonding characteristics of individual Al-O pairs across the GB plane. These results suggest that the GB sliding behavior is strongly dependent on the character of Al-O bonding at the GB core.

Received 30 October 2006

DOI:https://doi.org/10.1103/PhysRevB.75.184109

Erratum

Erratum: First-principles study of grain boundary sliding in α-Al $_{2}$ O $_{3}$ [Phys. Rev. B 75, 184109 (2007)]

Kaoru Nakamura, Teruyasu Mizoguchi, Naoya Shibata, Katsuyuki Matsunaga, Takahisa Yamamoto, and Yuichi Ikuhara

Phys. Rev. B 84, 059903 (2011)

Authors & Affiliations

Kaoru Nakamura¹, Teruyasu Mizoguchi^1,*, Naoya Shibata¹, Katsuyuki Matsunaga², Takahisa Yamamoto³, and Yuichi Ikuhara¹

¹Institute of Engineering Innovation, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-8656, Japan
²Department of Materials Science and Engineering, Kyoto University, Yoshida-Honmachi, Sakyo-ku, Kyoto 606-8501, Japan
³Department of Advanced Materials Science, The University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8651, Japan

^*Corresponding author. Electronic address: mizoguchi@sigma.t.u-tokyo.ac.jp

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Vol. 75, Iss. 18 — 1 May 2007

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Physical Review B

covering condensed matter and materials physics

First-principles study of grain boundary sliding in $α − {Al}_{2} O_{3}$

Kaoru Nakamura, Teruyasu Mizoguchi, Naoya Shibata, Katsuyuki Matsunaga, Takahisa Yamamoto, and Yuichi Ikuhara

Phys. Rev. B 75, 184109 – Published 18 May 2007; Erratum Phys. Rev. B 84, 059903 (2011)

Abstract

Erratum

Erratum: First-principles study of grain boundary sliding in α-Al $_{2}$ O $_{3}$ [Phys. Rev. B 75, 184109 (2007)]

Kaoru Nakamura, Teruyasu Mizoguchi, Naoya Shibata, Katsuyuki Matsunaga, Takahisa Yamamoto, and Yuichi Ikuhara

Phys. Rev. B 84, 059903 (2011)

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Physical Review B

covering condensed matter and materials physics

First-principles study of grain boundary sliding in α−Al2O3

Kaoru Nakamura, Teruyasu Mizoguchi, Naoya Shibata, Katsuyuki Matsunaga, Takahisa Yamamoto, and Yuichi Ikuhara

Phys. Rev. B 75, 184109 – Published 18 May 2007; Erratum Phys. Rev. B 84, 059903 (2011)

Abstract

Erratum

Erratum: First-principles study of grain boundary sliding in α-Al2O3 [Phys. Rev. B 75, 184109 (2007)]

Kaoru Nakamura, Teruyasu Mizoguchi, Naoya Shibata, Katsuyuki Matsunaga, Takahisa Yamamoto, and Yuichi Ikuhara

Phys. Rev. B 84, 059903 (2011)

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First-principles study of grain boundary sliding in $α − {Al}_{2} O_{3}$

Erratum: First-principles study of grain boundary sliding in α-Al $_{2}$ O $_{3}$ [Phys. Rev. B 75, 184109 (2007)]