Thermodynamic description of the Cr-Mn-Si system - Archive ouverte HAL
Article Dans Une Revue Calphad Année : 2016

Thermodynamic description of the Cr-Mn-Si system

Résumé

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.

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Matériaux
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Dates et versions

hal-01407450 , version 1 (02-12-2016)

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