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Thermodynamics of supercooled liquid silicon and its glass transition

Published online by Cambridge University Press:  11 February 2011

Caetano R. Miranda  and
Alex Antonelli
Caetano R. Miranda
Affiliation:
Instituto de Fisica “Gleb Wataghin”, Universidade Estadual de Campinas, CP 6165, CEP 13083–970, Campinas, SP, Brazil
Alex Antonelli
Affiliation:
Instituto de Fisica “Gleb Wataghin”, Universidade Estadual de Campinas, CP 6165, CEP 13083–970, Campinas, SP, Brazil
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Abstract

The thermodynamic properties of various phases of silicon, namely, crystalline, amorphous, and liquid, have been studied using the Reversible Scaling method within Monte Carlo simulations. The recently proposed Environment Dependent Interatomic Potential was employed to model the atomic interactions. The calculated Gibbs free energy and entropy of both crystalline and liquid phases are in good agreement with available experimental data. The glass transition is continuous, taking place at 1150 K. We have also determined the Kauzmann temperature, TK = 955 K, the thermodynamic fragility, F3/4 = 0.64, which indicates a fragile thermodynamic character to l-Si, and the configurational entropy of the amorphous phase, Sconf ≈ 1.2 kB/atom.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 754: Symposium CC – Supercooled Liquids, Glass Transition and Bulk Metallic Glasses , 2002 , CC5.10
Copyright
Copyright © Materials Research Society 2003

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References

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