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Thermodynamic description of the Cr-Mn-Si system
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Thermodynamic description of the Cr-Mn-Si system

Alexandre Berche, Jean Claude Tedenac et Philippe Jund
Calphad, Vol.55, pp.181-188
28/09/2016

Résumé

First-principles (Density Functional Theory and SQS) calculations and the Calphad method are combinedto obtain a thermodynamic description of the Cr-Mn-Si system. Especially the mixing enthalpies and themagnetic moments in solid solutions with substitutions of Cr by Mn are calculated at 0 K using the DFTfor different structures. Such data are then used together with the available literature data to obtain ageneral description of the ternary system.

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