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

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

The thermodynamicdescriptionfortheGa-Ti systemhasbeenupdatedusingtheCALPHADapproach.By combining theexistingexperimentaldataandnewlyobtainedresultsfrom ab initio calculations and cluster variationmethod(CVM),theGibbsenergyfunctionsoftheindividualphasesoftheGa-Ti system havebeenevaluated.Comparedwith...

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Veröffentlicht in:Calphad 2013
Hauptverfasser: Ya, Liu, Tedenac, Jean-Claude, Su, X.P., Colinet, Catherine, Wang, J.H.
Format: Artikel
Sprache:eng
Schlagworte:
Chemical Sciences
Material chemistry
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Zusammenfassung: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.
ISSN:0364-5916
DOI:10.1016/j.calphad.2013.02.003