Browsing by Author "Bouzida, A. Belgacem"

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Thermodynamic Modeling of the Al-Ba and Ba-Ge Systems Supported by First-Principles Calculations

Benhafid, R.; Bouzida, A. Belgacem; Djaballah, Y.; Candan, A.; Iyigor, A.; Ugur, G. (SPRINGER, 2019)

The phase diagrams of Al-Ba and Ba-Ge systems are optimized by coupling the CALPHAD approach and first-principles calculations. The binary intermetallic compounds were treated as stoichiometric phases. The total energies ...