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Calculation of metastable immiscibility region in the Al2O3–SiO2 system using molecular dynamics simulation

Published online by Cambridge University Press:  31 January 2011

Takahiro Takei ,
Yoshikazu Kameshima ,
Atsuo Yasumori  and
Kiyoshi Okada
Takahiro Takei
Affiliation:
Department of Metallurgy and Ceramics Science, Tokyo Institute of Technology, O-okayama, Meguro, Tokyo 152-8552, Japan
Yoshikazu Kameshima
Affiliation:
Department of Metallurgy and Ceramics Science, Tokyo Institute of Technology, O-okayama, Meguro, Tokyo 152-8552, Japan
Atsuo Yasumori
Affiliation:
Department of Metallurgy and Ceramics Science, Tokyo Institute of Technology, O-okayama, Meguro, Tokyo 152-8552, Japan
Kiyoshi Okada
Affiliation:
Department of Metallurgy and Ceramics Science, Tokyo Institute of Technology, O-okayama, Meguro, Tokyo 152-8552, Japan
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Extract

The metastable immiscibility region in the Al2O3–SiO2 system was calculated by conventional thermodynamic equations using thermodynamic parameters obtained from molecular dynamics simulation. The calculated miscibility gap has a consolute temperature of around 1500 °C at the critical composition of about 20 mol% Al2O3 and spreads more widely towards the Al2O3-rich composition side than the SiO2-rich side. The calculated miscibility gap in this study showed a fair agreement with that reported by Ban et al. [T. Ban, S. Hayashi, A. Yasumori, and K. Okada, J. Mater. Res. 11, 1421 (1996)] calculated by a regular solution model, but the present calculated region is somewhat narrower in the Al2O3-rich composition side than that reported by Ban et al.

Type
Articles
Information
Journal of Materials Research , Volume 15 , Issue 1 , January 2000 , pp. 186 - 193
Copyright
Copyright © Materials Research Society 2000

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References

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