Thermodynamic modeling of the Al–Nb–V system

In the present work, the Al–Nb–V ternary system was thermodynamically modeled using the compound energy formalism (CEF) within the framework of the CALPHAD method and supported by ab initio calculations, which we report here for the first time. The thermodynamic descriptions of the Al–Nb, Al–V and N...

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Veröffentlicht in:	Calphad 2021-09, Vol.74, p.102321, Article 102321
Hauptverfasser:	Santos, Júlio César Pereira dos, Silva, Antonio Augusto Araújo Pinto da, Ferreira, Pedro Pires, Dorini, Thiago Trevizam, Barros, Denis Felipe de, Abreu, Danilo Alencar de, Eleno, Luiz Tadeu Fernandes, Nunes, Carlos Angelo, Coelho, Gilberto Carvalho
Format:	Artikel
Sprache:	eng
Schlagworte:	Ab-initio calculation Aluminum Al–Nb–V system Binary systems CALPHAD Density functional theory Descriptions Electronic structure First principles High entropy alloys Liquidus Miscibility Niobium Parameters Phase diagram Ternary systems Thermodynamic modeling Thermodynamic models
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