Paper Title :Thermodynamic Assessment Of The Cu-Sr System Supported By Ab-Initio Calculations

Author :Yassine Djaballah, Nawel Djenane, Aissa Belgacem-Bouzida

Article Citation :Yassine Djaballah ,Nawel Djenane ,Aissa Belgacem-Bouzida , (2016 ) " Thermodynamic Assessment Of The Cu-Sr System Supported By Ab-Initio Calculations " , International Journal of Advances in Science, Engineering and Technology(IJASEAT) , pp. 66-70, Volume-4,Issue-1

Abstract : Thermodynamic modeling of the Cu-Sr system was carried out via a hybrid approach of CALPHAD (CALculation of PHAse Diagrams) and ab-initio calculations. The enthalpies of formation of Cu5Sr and Cu-Sr are computed via ab-initio calculations by using the Wien2k code. The CALPHAD assessment of Cu-Sr system was then performed by considering both the ab-initio computed enthalpies of formation and the experimental phase equilibrium data. The liquid phase was modeled with Redlich-Kister polynomial and the two intermetallics compounds were described as stoichiometric compounds. A consistent thermodynamic data set and phase diagrams for the Cu-Sr system are obtained. Index Terms- CALPHAD; ab-initio calculations; Cu-Sr system; phase diagram.

Type : Research paper

Published : Volume-4,Issue-1

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