Evaluation of Surface Energy by Molecular Dynamics Simulation and Discussion about Cleavage Fracture in α-Al2O3 / 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
- Resource Type
- Journal Article
- Authors
- Hideharu NAKASHIMA; Hiroshi ABE; Ken-ichi IKEDA; Shin-ichi TAKEMATSU; Takashi MIZUGUCHI; 中島 英治; 水口 隆; 池田 賢一; 竹松 伸一; 阿部 弘
- Source
- Journal of the Ceramic Society of Japan (日本セラミックス協会学術論文誌) / Journal of the Ceramic Society of Japan. 2004, 112(1301):46
- Subject
- Al2O3
Cleavage fracture
Fracture toughness
Molecular dynamics method
Surface energy
- Language
- Japanese
- ISSN
- 0914-5400
1882-1022
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.