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Thermodynamic description of the Al-Cu-Yb ternary system supported by first-principles calculations

Huang G. (Central South University, School of Material Science and Engineering, Changsha, Hunan, P.R. China)
Liu L. (Central South University, School of Material Science and Engineering, Changsha, Hunan, P.R. China + Central South University, Science Center for Phase Diagram & Materials Design and Manufacture, Changsha, P.R. China)
Zhang L. (Central South University, School of Material Science and Engineering, Changsha, Hunan, P.R. China + Freiberg University of Mining and Technology, Centre for Innovation Competence Virtuhcon, Freiberg, Germany + Central South University, Science Center for )
Jin Z. (Central South University, School of Material Science and Engineering, Changsha, Hunan, P.R. China + Central South University, Science Center for Phase Diagram & Materials Design and Manufacture, Changsha, P.R. China)

Phase relationships of the ternary Al-Cu-Yb system have been assessed using a combination of CALPHAD method and first principles calculations. A self-consistent thermodynamic parameter was established based on the experimental and theoretical information. Most of the binary intermetallic phases, except Al3Yb, Al2Yb, Cu2Yb and Cu5Yb, were assumed to be zero solubility in the ternary system. Based on the experimental data, eight ternary intermetallic compounds were taken into consideration in this system. Among them, three were treated as line compounds with large homogeneity ranges for Al and Cu. The others were treated as stoichiometric compounds. The calculated phase diagrams were in agreement with available experimental and theoretical data.

Keywords: Al-Cu-Yb, thermodynamic calculation, phase diagram, CALPHAD