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Giant segregation transition as origin of liquid metal embrittlement in the Fe-Zn system
- A giant Zn segregation transition is revealed using CALPHAD-integrated density-based modeling of segregation into Fe grain boundaries (GBs). The results show that above a threshold of only a few atomic percent Zn in the alloy, a substantial amount of up to 60 at.% Zn can segregate to the GB. We found that the amount of segregation abruptly increases with decreasing temperature, while the Zn content in the alloy required for triggering the segregation transition decreases. Direct evidence of the Zn segregation transition is obtained using high-resolution scanning transmission electron microscopy. Base on the model, we trace the origin of the segregation transition back to the low cohesive energy of Zn and a miscibility gap in Fe-Zn GB, arising from the magnetic ordering effect, which is confirmed by ab-initio calculations. We also show that the massive Zn segregation resulting from the segregation transition greatly assists with liquid wetting and reduces the work of separation alongA giant Zn segregation transition is revealed using CALPHAD-integrated density-based modeling of segregation into Fe grain boundaries (GBs). The results show that above a threshold of only a few atomic percent Zn in the alloy, a substantial amount of up to 60 at.% Zn can segregate to the GB. We found that the amount of segregation abruptly increases with decreasing temperature, while the Zn content in the alloy required for triggering the segregation transition decreases. Direct evidence of the Zn segregation transition is obtained using high-resolution scanning transmission electron microscopy. Base on the model, we trace the origin of the segregation transition back to the low cohesive energy of Zn and a miscibility gap in Fe-Zn GB, arising from the magnetic ordering effect, which is confirmed by ab-initio calculations. We also show that the massive Zn segregation resulting from the segregation transition greatly assists with liquid wetting and reduces the work of separation along the GB. The current predictions suggest that control over Zn segregation, by both alloy design and optimizing the galvanization and welding processes, may offer preventive strategies against liquid metal embrittlement.…
Autor*innen: | Reza Darvishi KamachaliORCiD, Theophilius Wallis, Yuki Ikeda, U. Saikia, A. Ahmadian, C. Liebscher, Tilmann Hickel, Robert Maaß |
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Dokumenttyp: | Zeitschriftenartikel |
Veröffentlichungsform: | Verlagsliteratur |
Sprache: | Englisch |
Titel des übergeordneten Werkes (Englisch): | Scripta Materialia |
Jahr der Erstveröffentlichung: | 2024 |
Organisationseinheit der BAM: | 5 Werkstofftechnik |
5 Werkstofftechnik / 5.5 Materialmodellierung | |
6 Materialchemie | |
6 Materialchemie / 6.4 Materialinformatik | |
Veröffentlichende Institution: | Bundesanstalt für Materialforschung und -prüfung (BAM) |
Verlag: | Elsevier |
Verlagsort: | Amsterdam |
Jahrgang/Band: | 238 |
Aufsatznummer: | 115758 |
Erste Seite: | 1 |
Letzte Seite: | 5 |
DDC-Klassifikation: | Technik, Medizin, angewandte Wissenschaften / Ingenieurwissenschaften / Ingenieurwissenschaften und zugeordnete Tätigkeiten |
Freie Schlagwörter: | CALPHAD; Density-based Model; Grain boundary engineering; Microstructure Design; Segregation Engineering; Steels |
Themenfelder/Aktivitätsfelder der BAM: | Material |
Material / Degradation von Werkstoffen | |
Material / Materialdesign | |
DOI: | 10.1016/j.scriptamat.2023.115758 |
URN: | urn:nbn:de:kobv:b43-584292 |
ISSN: | 1359-6462 |
ISSN: | 1872-8456 |
Verfügbarkeit des Dokuments: | Datei für die Öffentlichkeit verfügbar ("Open Access") |
Lizenz (Deutsch): | Creative Commons - CC BY-NC-ND - Namensnennung - Nicht kommerziell - Keine Bearbeitungen 4.0 International |
Datum der Freischaltung: | 26.09.2023 |
Referierte Publikation: | Ja |
Datum der Eintragung als referierte Publikation: | 09.09.2024 |
Schriftenreihen ohne Nummerierung: | Wissenschaftliche Artikel der BAM |