Article ID Journal Published Year Pages File Type
1559190 Calphad 2010 4 Pages PDF
Abstract

Thermodynamic description of the Cs–In system has been developed by the CALPHAD modeling combined with first-principles calculations. From first-principles calculations, the enthalpies of formation of CsIn3 and Cs2In3 are predicted to be −14.76 and −16.79 kJ/mol atom, respectively. With these enthalpies of formation and phase equilibrium data, Gibbs energy functions of individual phases in the Cs–In system have been evaluated. The calculated phase diagram of the Cs–In system is compared with the experimental one showing good agreement with each other.

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Physical Sciences and Engineering Materials Science Materials Science (General)
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