Publish In |
International Journal of Advances in Science, Engineering and Technology(IJASEAT)-IJASEAT |
Journal Home Volume Issue |
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Issue |
Volume-4,Issue-1 ( Jan, 2016 ) | |||||||||
Paper Title |
Thermodynamic Assessment Of The Cu-Sr System Supported By Ab-Initio Calculations | |||||||||
Author Name |
Yassine Djaballah, Nawel Djenane, Aissa Belgacem-Bouzida | |||||||||
Affilition |
Laboratory of Physical and chemical study of materials (LEPCM) Physics Department, Faculty of Science, University of Batna, Algeria | |||||||||
Pages |
66-70 | |||||||||
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. | |||||||||
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