Evaluation of Surface Energy by Molecular Dynamics Simulation and Discussion about Cleavage Fracture in .ALPHA.-Al2O3

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  • TAKEMATSU Shin-ichi
    Department of Molecular and Materials Sciences, Interdisciplinary Graduate School of Engineering Sciences, Kyushu University
  • MIZUGUCHI Takashi
    Department of Molecular and Materials Sciences, Interdisciplinary Graduate School of Engineering Sciences, Kyushu University
  • NAKASHIMA Hideharu
    Department of Molecular and Materials Sciences, Interdisciplinary Graduate School of Engineering Sciences, Kyushu University
  • IKEDA Ken-ichi
    Department of Molecular and Materials Sciences, Interdisciplinary Graduate School of Engineering Sciences, Kyushu University
  • ABE Hiroshi
    Department of Molecular and Materials Sciences, Interdisciplinary Graduate School of Engineering Sciences, Kyushu University

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Other Title
  • 分子動力学法によるα‐Ａｌ２Ｏ３の表面エネルギーの計算とへき開破壊についての考察
  • 分子動力学法によるα-Al2O3の表面エネルギーの計算とへき開破壊についての考察
  • ブンシ ドウリキガクホウ ニ ヨル アルファ Al2O3 ノ ヒョウメン エネルギー ノ ケイサン ト ヘキカイハカイ ニ ツイテ ノ コウサツ

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Surface energies of α-Al2O3 were calculated using molecular dynamics (MD) method. It was found that the surface energy strongly depends on crystal orientation. The surface energy of {10·0} plane had the maximum value of about 13 J·m−2, while that of the other crystallographic planes ranged between 2 and 4 J·m−2. The fracture toughness of single crystal α-Al2O3 had relatively good correlation with surface energies of {10·0} and {10·2} planes. It was concluded that surface energies highly contributed to the cleavage fracture of {10·0} and {10·2} planes.

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