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1 results

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

  • Takahiro Takei, Yoshikazu Kameshima, Atsuo Yasumori, Kiyoshi Okada
  • Journal:
    Journal of Materials Research / Volume 15 / Issue 1 / January 2000
    Published online by Cambridge University Press:
    31 January 2011, pp. 186-193
    Print publication:
    January 2000

  • 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.