Theoretical tensile deformation of ∑13 pyramidal twin grain boundary in alumina

Kaoru Nakamura, Teruyasu Mizoguchi, Naoya Shibata, Takahisa Yamamoto, Yuichi Ikuhara

研究成果: Article査読

抄録

First-principles grain boundary (GB) tensile deformation simulations were performed to investigate the atomic-scale mechanism of GB fracture of the 213 pyramidal twin GB in α-Al2O3. It was found that the specific Al-O bond broke at the GB core in the early stage of tensile deformation. From chemical bonding analyses, the first breaking bond was the weakest bond in the GB core. However, when the catastrophic GB fracture started, initially strong Al-O bond broke. This indicates that local atomic bonds should determine the microscopic GB fracture behavior.

本文言語English
ページ(範囲)21-24
ページ数4
ジャーナルKey Engineering Materials
352
DOI
出版ステータスPublished - 2007 1月 1
外部発表はい

ASJC Scopus subject areas

  • 材料科学(全般)
  • 材料力学
  • 機械工学

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