Zitieren Sie bitte immer diesen URN: urn:nbn:de:kobv:b43-542156
Multiscale analysis of crystalline defect formation in rapid solidification of pure aluminium and aluminium-copper alloys
- Rapid solidification leads to unique microstructural features, where a less studied topic is the formation of various crystalline defects, including high dislocation densities, as well as gradients and splitting of the crystalline orientation. As these defects critically affect the material’s mechanical properties and performance features, it is important to understand the defect formation mechanisms, and how they depend on the solidification conditions and alloying. To illuminate the formation mechanisms of the rapid solidification induced crystalline defects, we conduct a multiscale modelling analysis consisting of bond-order potential-based molecular dynamics (MD), phase field crystal-based amplitude expansion simulations, and sequentially coupled phase field–crystal plasticity simulations. The resulting dislocation densities are quantified and compared to past experiments. The atomistic approaches (MD, PFC) can be used to calibrate continuum level crystal plasticity models, and theRapid solidification leads to unique microstructural features, where a less studied topic is the formation of various crystalline defects, including high dislocation densities, as well as gradients and splitting of the crystalline orientation. As these defects critically affect the material’s mechanical properties and performance features, it is important to understand the defect formation mechanisms, and how they depend on the solidification conditions and alloying. To illuminate the formation mechanisms of the rapid solidification induced crystalline defects, we conduct a multiscale modelling analysis consisting of bond-order potential-based molecular dynamics (MD), phase field crystal-based amplitude expansion simulations, and sequentially coupled phase field–crystal plasticity simulations. The resulting dislocation densities are quantified and compared to past experiments. The atomistic approaches (MD, PFC) can be used to calibrate continuum level crystal plasticity models, and the framework adds mechanistic insights arising from the multiscale analysis. This article is part of the theme issue ‘Transport phenomena in complex systems (part 2)’.…
Autor*innen: | T. Pinomaa, M. Lindroos, P. Jreidini, M. Haapalehto, K. Ammar, Lei Wang, S. Forest, N. Provatas, A. Laukkanen |
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Dokumenttyp: | Zeitschriftenartikel |
Veröffentlichungsform: | Verlagsliteratur |
Sprache: | Englisch |
Titel des übergeordneten Werkes (Englisch): | Philosophical transactions of the Royal Society - Series A |
Jahr der Erstveröffentlichung: | 2022 |
Organisationseinheit der BAM: | 5 Werkstofftechnik |
5 Werkstofftechnik / 5.2 Metallische Hochtemperaturwerkstoffe | |
Veröffentlichende Institution: | Bundesanstalt für Materialforschung und -prüfung (BAM) |
Verlag: | Royal Society |
Verlagsort: | London |
Jahrgang/Band: | 380 |
Ausgabe/Heft: | 2217 |
Aufsatznummer: | 20200319 |
Erste Seite: | 1 |
Letzte Seite: | 20 |
DDC-Klassifikation: | Technik, Medizin, angewandte Wissenschaften / Ingenieurwissenschaften / Ingenieurwissenschaften und zugeordnete Tätigkeiten |
Freie Schlagwörter: | Crystal plasticity; Crystalline defects; Molecular dynamics; Phase field crystal; Phase field method; Rapid solidification |
Themenfelder/Aktivitätsfelder der BAM: | Material |
DOI: | 10.1098/rsta.2020.0319 |
URN: | urn:nbn:de:kobv:b43-542156 |
ISSN: | 1364-503X |
Verfügbarkeit des Dokuments: | Datei für die Öffentlichkeit verfügbar ("Open Access") |
Lizenz (Deutsch): | Creative Commons - CC BY - Namensnennung 4.0 International |
Datum der Freischaltung: | 14.01.2022 |
Referierte Publikation: | Ja |
Datum der Eintragung als referierte Publikation: | 14.01.2022 |
Schriftenreihen ohne Nummerierung: | Wissenschaftliche Artikel der BAM |