Zitieren Sie bitte immer diesen URN: urn:nbn:de:kobv:b43-519497
Segregation-assisted spinodal and transient spinodal phase separation at grain boundaries
- Segregation to grain boundaries affects their cohesion, corrosion, and embrittlement and plays a critical role in heterogeneous nucleation. In order to quantitatively study segregation and low-dimensional phase separation at grain boundaries, here, we apply a density-based phase-field model. The current model describes the grain-boundary thermodynamic properties based on available bulk thermodynamic data, while the grain-boundary-density profile is obtained using atomistic simulations. To benchmark the performance of the model, Mn grain-boundary segregation in the Fe–Mn system is studied. 3D simulation results are compared against atom probe tomography measurements conducted for three alloy compositions. We show that a continuous increase in the alloy composition results in a discontinuous jump in the segregation isotherm. The jump corresponds to a spinodal Phase separation at grain boundary. For alloy compositions above the jump, we reveal an interfacial transient spinodal phaseSegregation to grain boundaries affects their cohesion, corrosion, and embrittlement and plays a critical role in heterogeneous nucleation. In order to quantitatively study segregation and low-dimensional phase separation at grain boundaries, here, we apply a density-based phase-field model. The current model describes the grain-boundary thermodynamic properties based on available bulk thermodynamic data, while the grain-boundary-density profile is obtained using atomistic simulations. To benchmark the performance of the model, Mn grain-boundary segregation in the Fe–Mn system is studied. 3D simulation results are compared against atom probe tomography measurements conducted for three alloy compositions. We show that a continuous increase in the alloy composition results in a discontinuous jump in the segregation isotherm. The jump corresponds to a spinodal Phase separation at grain boundary. For alloy compositions above the jump, we reveal an interfacial transient spinodal phase separation. The transient spinodal phenomenon opens opportunities for knowledge-based microstructure design through the chemical manipulation of grain boundaries. The proposed density-based model provides a powerful tool to study thermodynamics and kinetics of segregation and phase changes at grain boundaries.…
Autor*innen: | Reza Darvishi KamachaliORCiD, A. da Silva, E. McEniry, B. Gault, J. Neugebauer, D. Raabe |
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Dokumenttyp: | Zeitschriftenartikel |
Veröffentlichungsform: | Verlagsliteratur |
Sprache: | Englisch |
Titel des übergeordneten Werkes (Deutsch): | NPJ Computational Materials |
Jahr der Erstveröffentlichung: | 2020 |
Organisationseinheit der BAM: | 5 Werkstofftechnik |
5 Werkstofftechnik / 5.2 Metallische Hochtemperaturwerkstoffe | |
5 Werkstofftechnik / 5.5 Materialmodellierung | |
Veröffentlichende Institution: | Bundesanstalt für Materialforschung und -prüfung (BAM) |
Verlag: | Nature |
Jahrgang/Band: | 6 |
Ausgabe/Heft: | 1 |
Erste Seite: | 191 |
DDC-Klassifikation: | Technik, Medizin, angewandte Wissenschaften / Ingenieurwissenschaften / Ingenieurwissenschaften und zugeordnete Tätigkeiten |
Freie Schlagwörter: | Densty-based Thermodynamics; Grain Boundary Spinodal; Microstrucrue Design |
Themenfelder/Aktivitätsfelder der BAM: | Material |
DOI: | 10.1038/s41524-020-00456-7 |
URN: | urn:nbn:de:kobv:b43-519497 |
Verfügbarkeit des Dokuments: | Datei für die Öffentlichkeit verfügbar ("Open Access") |
Lizenz (Deutsch): | Creative Commons - CC BY - Namensnennung 4.0 International |
Datum der Freischaltung: | 06.01.2021 |
Referierte Publikation: | Ja |
Datum der Eintragung als referierte Publikation: | 06.01.2021 |
Schriftenreihen ohne Nummerierung: | Wissenschaftliche Artikel der BAM |