Simulation of critical interface phenomena in advanced steel processing

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State-of-the-art models for steel processing are based on the concept of microstructure engineering where the operational parameters of the industrial process are linked to the final properties of the steel product by accurately modelling the microstructure evolution. For most steels the austenite-ferrite transformation is a key metallurgical tool to tailor the properties. A multi-scale approach including atomistic and phase field simulations has shown promise to advance phase transformation models in steels. Phase field modelling is a powerful methodology to describe the evolution of microstructures with complex morphologies that are common in advanced steels. Thus, phase field models are proposed as a promising computational tool for developing next generation process models from casting to final heat treatments. The proposed discovery project will seek to further explore and develop the fundamentals of the phase field methodology as a simulation tool for advanced steel processing. In particular, advanced computational approaches will be developed for incorporation of atomistic simulation results into phase field models for grain growth and the austenite-ferrite transformation. Here, the interaction of migrating interfaces with alloying elements plays a central role and atomistic simulations can provide new insight into these interaction mechanisms. For high performance hot-rolled steels accelerated cooling has become a key technology to control the phase transformation and resulting properties. The Leidenfrost temperature is a critical cooling parameter where the transition from film boiling to more efficient cooling mechanisms including nucleate boiling occurs. The Leidenfrost temperature depends significantly on surface roughness. This is another interface phenomenon where phase field models may provide a powerful simulation technique.****An exciting component of the proposed research is to use the same modelling framework for both microstructure and temperature evolution. The proposed research offers opportunities for training of three PhD students. The first two PhD projects will seek to incorporate atomistic simulation results for solute-interface interactions into phase field models. The third project will deal with the development of a phase field model to account for the effect of surface roughness on cooling of steel.******************