An updated thermodynamic modeling of the Ga-Ti system Original Research Article

Liu Ya (1) , Jean-Claude Tedenac (1) , X.P. Su , Catherine Colinet (2) , J.H. Wang

1 ICGM ICMMM - Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier
2 SIMaP - Science et Ingénierie des Matériaux et Procédés

The thermodynamicdescriptionfortheGa-Ti systemhasbeenupdatedusingtheCALPHADapproach.By combining theexistingexperimentaldataandnewlyobtainedresultsfrom ab initio calculations and cluster variationmethod(CVM),theGibbsenergyfunctionsoftheindividualphasesoftheGa-Ti system havebeenevaluated.Comparedwiththepreviousthermodynamicmodeling,thepresentassessment showsabetteragreementwiththeexperimentsandthecalculatedenthalpiesofformationofthe intermetallic compoundsobtainedfrom ab initio calculations.

Mots clés: Ga-Ti system Phase diagram Ab initio CVM CALPHAD

Domaines: Matériaux

Liu Ya, Jean-Claude Tedenac, X.P. Su, Catherine Colinet, J.H. Wang. An updated thermodynamic modeling of the Ga-Ti system Original Research Article. Calphad, 2013, pp.1. ⟨10.1016/j.calphad.2013.02.003⟩. ⟨hal-00823602⟩