Stability of Zener order in martensite: an atomistic evidence
| Autor: | Damien Connétable, Philippe Maugis, Paul Eyméoud |
|---|---|
| Přispěvatelé: | Institut des Matériaux, de Microélectronique et des Nanosciences de Provence (IM2NP), Université de Toulon (UTLN)-Centre National de la Recherche Scientifique (CNRS)-Aix Marseille Université (AMU), Centre interuniversitaire de recherche et d'ingenierie des matériaux (CIRIMAT), Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC), Aix Marseille Université (AMU)-Université de Toulon (UTLN)-Centre National de la Recherche Scientifique (CNRS), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT), ANR-18-CE92-0021,C-TRAM,Redistribution du carbone à l'échelle atomique pendant la transformation de l'austenite en martensite dans les aciers(2018), Aix-Marseille Université - AMU (FRANCE), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Université de Toulon - UTLN (FRANCE) |
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
Elastic behaviour
Materials science Matériaux 02 engineering and technology 01 natural sciences Stability (probability) [SPI.MAT]Engineering Sciences [physics]/Materials [SPI]Engineering Sciences [physics] 0103 physical sciences General Materials Science Density functional theory (DFT) Elasticity (economics) 010302 applied physics Condensed Matter::Quantum Gases [PHYS]Physics [physics] Condensed matter physics Mechanical Engineering Metals and Alloys Order (ring theory) Supersaturated solid solution 021001 nanoscience & nanotechnology Condensed Matter Physics Long-range ordering Mean-field modelling Octahedron Mechanics of Materials Martensite Density functional theory Zener diode Steels 0210 nano-technology |
| Zdroj: | Scripta Materialia Scripta Materialia, Elsevier, 2021, 194, pp.113632. ⟨10.1016/j.scriptamat.2020.113632⟩ Scripta Materialia, 2021, 194, pp.113632. ⟨10.1016/J.SCRIPTAMAT.2020.113632⟩ Scripta Materialia, Elsevier, 2021, 194, pp.113632. ⟨10.1016/J.SCRIPTAMAT.2020.113632⟩ |
| ISSN: | 1359-6462 |
| DOI: | 10.1016/j.scriptamat.2020.113632⟩ |
| Popis: | International audience; 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect