Precipitation during high temperature aging of Al−Cu alloys: A multiscale analysis based on first principles calculations KU Leuven
© 2019 Acta Materialia Inc. Precipitation during high temperature aging of Al−Cu alloys is analysed by means of the integration of classical nucleation theory and phase-field simulations into a multiscale modelling approach based on well-established thermodynamics principles. In particular, thermal stability of θ'', θ′ and θ precipitates was assessed from first principles calculations of the Helmholtz free energy while homogeneous and ...