Paper Title:
Theoretical Tensile Deformation of Σ13 Pyramidal Twin Grain Boundary in Alumina
  Abstract

First-principles grain boundary (GB) tensile deformation simulations were performed to investigate the atomic-scale mechanism of GB fracture of the Σ13 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.

  Info
Periodical
Edited by
Katsutoshi Komeya, Yohtaro Matsuo and Takashi Goto
Pages
21-24
DOI
10.4028/www.scientific.net/KEM.352.21
Citation
K. Nakamura, T. Mizoguchi, N. Shibata, T. Yamamoto, Y. Ikuhara, "Theoretical Tensile Deformation of Σ13 Pyramidal Twin Grain Boundary in Alumina", Key Engineering Materials, Vol. 352, pp. 21-24, 2007
Online since
August 2007
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