Design Al alloys with ultimate properties through Multi-scale modelling of Precipitation Kinetics

forthcoming

Design high strength Al alloys is essential for industrial light-weight designs for both environmental and economic sustainability. This is usually achieved through age-hardening, where nanometer-sized precipitates are introduced to hinder dislocation slip. Accurate control of their size, spatial distribution and number density during aging is crucial to develop alloys with optimal performance. However, the assessment of precipitation kinetics and optimization of thermo-mechanical processing routes have been traditionally relying on costly experimental “trial-and-error” approaches. In this project, a novel methodology is presented to accurately determine the precipitation kinetics in Al Alloys based on the combination of first principles calculations and classical nucleation, growth and coarsening theories. The strategy is based in two main pillars. The first one is using first principles calculations and statistical mechanics approaches to determine precipitate thermodynamic parameters in Al alloying system, with consideration of influence of temperature and precipitate/solute state. The second one is the combination of this information with classical precipitation and strengthening theories to predict the precipitation kinetics and strengthening during heat treatment. The results will be validated experimentally and the developed strategy will be used to develop novel high strength Al alloy. The approach developed in this proposal will improve the predictive power of Integrated Computational Materials Engineering in Al alloys. The applicant will transfer his expertise and international connection in the field of precipitation kinetics characterization and modeling to the host institute. He will work with researchers of the host institution to prompt new areas of research that can attract new funding and receive regular training on transferable skills. All these activities will enlarge his portfolio of skills and will ensure further development of his career.