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Experimental investigation and thermodynamic modeling of the Ga–Zr system

Author:
Wei Luo  Shuhong Liu  Ying Tang  Ming Yin  Bosse Sundman  Yong Du  Philip Nash  Huijin Tao  


Journal:
Journal of Alloys and Compounds


Issue Date:
2014


Abstract(summary):

Highlights • Phase equilibria of the Ga–Zr system were investigated by experiment. • Δ f Hs for intermetallic compounds were computed via first–principles calculations. • The enthalpy of formation at 298 K for αGaZr was measured by calorimetry. • A set of self-consistent thermodynamic parameters was obtained. Abstract Phase equilibria of the Ga–Zr system were investigated by experiment and thermodynamic modeling. In the experimental part, eleven alloys were prepared by melting the pure elements and annealed. Both the as-cast and annealed samples were analyzed by X-ray diffraction, optical microscopy, and scanning electron microscope. The annealed alloys were investigated by differential thermal analysis and electron probe microanalysis. In order to assist the thermodynamic modeling, the enthalpies of formation at 0 K for the GaZr 2 , Ga 3 Zr 5 , Ga 2 Zr 3 , Ga 4 Zr 5 , αGaZr, Ga 3 Zr 2 , Ga 5 Zr 3 , Ga 2 Zr and Ga 3 Zr phases were computed via first-principles calculations. The enthalpy of formation at 298 K for the αGaZr was measured by high temperature reaction calorimetry. Based on the experimental phase diagram data from the present work and the literature as well as the present first-principles calculations, the Ga–Zr system was critically assessed by means of CALPHAD approach. The calculated phase diagram and thermodynamic properties agree well with the available experimental data.


Page:
497-497


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