Hostname: page-component-7c8c6479df-ph5wq Total loading time: 0 Render date: 2024-03-29T01:08:49.776Z Has data issue: false hasContentIssue false

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
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
Get access

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
Copyright
Copyright © Materials Research Society 2000

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1.Schneider, H., Okada, K., and Pask, J.A., Mullite andMullite Ceramics (Wiley, New York, 1994), p. 105.Google Scholar
2.MacDowell, J.F. and Beall, G.H., J. Am. Ceram. Soc. 52, 17 (1969).CrossRefGoogle Scholar
3.Galakhov, F.Ya., Averyanov, V.I., Vavilonova, V.T., and Areshev, M.P., Sov. J. Glass. Phys. Chem. 2, 127 (1976).Google Scholar
4.Hillert, M. and Jonsson, S., CALPHAD 16, 193 (1992).CrossRefGoogle Scholar
5.Risbud, S.H. and Pask, J.A., J. Am. Ceram. Soc. 60, 418 (1977).CrossRefGoogle Scholar
6.Ban, T., Hayashi, S., Yasumori, A., and Okada, K., J. Mater. Res. 11, 1421 (1996).CrossRefGoogle Scholar
7.Mukherjee, G.D., Bansal, C., and Chatterjee, A., Solid State Commun. 104, 657 (1997).CrossRefGoogle Scholar
8.Richet, P., Geochim. Cosmochim. Acta 48, 471 (1984).CrossRefGoogle Scholar
9.Toplis, M.J., Dingwell, D.B., Hess, K.U., and Lenci, T., Am. Mineral. 82, 979 (1997).CrossRefGoogle Scholar
10.Gutzow, I., Z. Phys. Chem. Leipzig 221, 153 (1962).CrossRefGoogle Scholar
11.Hirao, K. and Kawamura, K., Zairyô Sekkéi (Shôkabô, Tokyo, (1994), pp. 116, 54.Google Scholar
12.Okada, I. and Osawa, E., Bunshi Simulation Nyûmon (Kaibundô, Tokyo, 1989), p. 81.Google Scholar
13.Okuno, M., Shimada, Y., Schumucker, M., Schneider, H., Hoffbauer, W., and Jansen, M., J. Non-Cryst. Solids 210, 41 (1997).CrossRefGoogle Scholar
14.Loewenstein, W., Am. Mineral. 39, 92 (1954).Google Scholar
15.Pauling, L., J. Am. Ceram. Soc. 51, 1010 (1929).Google Scholar