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Stability of Zener order in martensite: an atomistic evidence

Maugis, Philippe and Connétable, Damien and Eyméoud, Paul Stability of Zener order in martensite: an atomistic evidence. (2021) Scripta Materialia, 194. 113632. ISSN 1359-6462

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Official URL: https://doi.org/10.1016/J.SCRIPTAMAT.2020.113632


Martensite is a supersaturated solid solution of carbon in body-centered iron wherein interstitial carbon atoms preferentially occupy a single octahedral sublattice. Despite a century of research, the mechanism of this long-range ordering is still a subject of debate. Recently, Zener’s theory of ordering was challenged both experimentally and theoretically. In an attempt to settle the controversy, we investigated by density functional theory the ground states of Fe-C configurations having various degrees of order. We conclude that the fully Zener-ordered configurations are always the most stable energetically, thus confirming Zener’s theory. Comparison with mean-field elasticity and Ising-type modelling supports the elastic origin of Zener ordering.

Item Type:Article
HAL Id:hal-03178809
Audience (journal):International peer-reviewed journal
Uncontrolled Keywords:
Institution:Other partners > Aix-Marseille Université - AMU (FRANCE)
French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE)
Université de Toulouse > Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)
Université de Toulouse > Université Toulouse III - Paul Sabatier - UT3 (FRANCE)
Other partners > Université de Toulon - UTLN (FRANCE)
Laboratory name:
Agence Nationale de la Recherche - ANR
Deposited On:24 Mar 2021 07:57

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