Multiscale analysis of crystalline defect formation in rapid solidification of pure aluminium and aluminium-copper alloys

Tatu Pinomaa (Corresponding Author), Matti Lindroos, Paul Jreidini, Matias Haapalehto, Kais Ammar, Lei Wang, Samuel Forest, Nikolas Provatas, Anssi Laukkanen

Research output: Contribution to journalArticleScientificpeer-review

7 Citations (Scopus)


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 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)'.

Original languageEnglish
Article number20200319
Number of pages20
JournalPhilosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
Issue number2217
Publication statusPublished - 21 Feb 2022
MoE publication typeA1 Journal article-refereed


  • crystal plasticity
  • crystalline defects
  • molecular dynamics
  • phase field crystal
  • phase field method
  • rapid solidification


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