Journal
ACTA MATERIALIA
Volume 169, Issue -, Pages 284-300Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.actamat.2019.03.014
Keywords
Ferritic steels; Atomic-scale simulations; Thermodynamics; Cluster models
Funding
- Agence Nationale de la Recherche (ANR) [ANR-13-RMNP-0002 MeMnAl Steels]
- competitive cluster Materalia
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In the context of Al- and Mn-doped ferritic steels, we progressively elaborate an atomic-scale energy model to reproduce the thermodynamic behaviour of quaternary Fe-Al-Mn-C on a bcc lattice. This model is built on physical concepts: DEC calculations, pair Hamiltonians, non-configurational thermal effects, these elements being combined in a reasoned way to lead to a mastered and predictive formulation. In particular, this approach allows to explore the correlation between ordering in substitutional ternary Fe-Al-Mn and interstitial carbon, which brings new elements to the metallurgy of carbon in ferritic steels. (C) 2019 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
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