Thermodynamic description of the Cr-Mn-Si system

Abstract : First-principles (Density Functional Theory and SQS) calculations and the Calphad method are combined to obtain a thermodynamic description of the Cr-Mn-Si system. Especially the mixing enthalpies and the magnetic moments in solid solutions with substitutions of Cr by Mn are calculated at 0 K using the DFT for different structures. Such data are then used together with the available literature data to obtain a general description of the ternary system.
Type de document :
Article dans une revue
Calphad, Elsevier, 2016, 55, pp.181-188. 〈10.1016/j.calphad.2016.09.002〉
Domaine :
Liste complète des métadonnées

https://hal.archives-ouvertes.fr/hal-01407450
Contributeur : Philippe Jund <>
Soumis le : vendredi 2 décembre 2016 - 10:48:29
Dernière modification le : lundi 14 mai 2018 - 17:48:45

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Alexandre Berche, Jean Claude Tedenac, Philippe Jund. Thermodynamic description of the Cr-Mn-Si system . Calphad, Elsevier, 2016, 55, pp.181-188. 〈10.1016/j.calphad.2016.09.002〉. 〈hal-01407450〉

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