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The goal of the project is to create and validate a robust, multiscale, mechanism-based model that quantitatively predicts long term evolution of microstructure for nickel-based alloys, and the effect on mechanical properties such as creep and rupture strength, including variable cyclic operating conditions. This is a fresh approach to simulating long term material response that embeds established mechanistic understanding within a discrete element method (DEM) model framework to create a predictive system with a sound mechanistic foundation.
Mechanism-based modeling has the potential to simulate long scale behavior (10–30 years) based on shorter time data (diffusion constants, activation energies, etc.), achieving more confidence for long-term life, safer and more cost efficient designs, better ability to predict variable operating conditions, and extended service live beyond initial assumptions. A successful model could be embedded into standard design software as an add-on analysis tool for fossil energy system designers that will greatly improve their capability to design safe energy systems without excessive and costly over-design or unsafe under-design.