|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Computational Design and Simulation of Materials (CDSM 2018): Meso/Macroscale Simulations
||Multiscale Modelling of the Morphology and Spatial Distribution of θ' Precipitates in Al-Cu Alloys
||Hong Liu, Bárbara Bellón, javier llorca
|On-Site Speaker (Planned)
A multi-scaled approach based on the phase-field model is developed to simulate homogeneous and heterogeneous formation of θ′ precipitates during ageing in Al-Cu alloys. The model parameters were obtained from either computational thermodynamics databases or from first-principles density functional theory and molecular statics simulations. From this information, the evolution and equilibrium morphology of the θ′ precipitates is simulated in 3D using the phase-field model. The model was able to reproduce the evolution of the different orientation variants of plate-like shaped θ′ precipitates during homogeneous nucleation as well as the heterogeneous nucleation on dislocations, leading to the formation of precipitate arrays. Heterogeneous nucleation on pre-existing dislocation(s) was triggered by the interaction energy between the dislocation stress field and the stress-free transformation strain associated to the nucleation of the θ′ precipitates. Moreover, the mechanisms controlling the evolution of the morphology and the equilibrium aspect ratio of the precipitates were ascertained.
||Planned: Supplemental Proceedings volume