Evaluation of surface energy by molecular dynamics simulation and discussion about cleavage fracture in α-Al2O3

Shin Ichi Takematsu, Takashi Mizuguchi, Hideharu Nakashima, Ken Ichi Ikeda, Hiroshi Abe

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

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 (01̄10) 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 (01̄10) and (01̄12) planes. It was concluded that surface energies highly contributed to the cleavage fracture of (01̄10) and (01̄12) planes.

Original languageEnglish
Pages (from-to)46-49
Number of pages4
JournalJournal of the Ceramic Society of Japan
Volume112
Issue number1301
DOIs
Publication statusPublished - Jan 2004

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Interfacial energy
surface energy
Molecular dynamics
cleavage
molecular dynamics
evaluation
Computer simulation
simulation
fracture strength
Crystal orientation
Fracture toughness
Single crystals
single crystals
crystals

All Science Journal Classification (ASJC) codes

  • Ceramics and Composites
  • Chemistry(all)
  • Condensed Matter Physics
  • Materials Chemistry

Cite this

Evaluation of surface energy by molecular dynamics simulation and discussion about cleavage fracture in α-Al2O3. / Takematsu, Shin Ichi; Mizuguchi, Takashi; Nakashima, Hideharu; Ikeda, Ken Ichi; Abe, Hiroshi.

In: Journal of the Ceramic Society of Japan, Vol. 112, No. 1301, 01.2004, p. 46-49.

Research output: Contribution to journalArticle

Takematsu, Shin Ichi ; Mizuguchi, Takashi ; Nakashima, Hideharu ; Ikeda, Ken Ichi ; Abe, Hiroshi. / Evaluation of surface energy by molecular dynamics simulation and discussion about cleavage fracture in α-Al2O3. In: Journal of the Ceramic Society of Japan. 2004 ; Vol. 112, No. 1301. pp. 46-49.
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