Predictive assessment of hydrogen diffusion and segregation in high-strength steels: an ICME approach

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Hydrogen embrittlement (HE), a process by which a material is rendered prone to premature failure in the presence of hydrogen, is an immediate challenge to fastener and aerospace industries where reliable and durable high-strength steel (HSS) is of critical importance. Despite a long history of HE, the mechanistic details of hydrogen diffusion and segregation at microstructures in HSS remain poorly understood, rendering accurate assessments of HE not possible and thus hindering the development and deployment of new HSS. This project proposes to use an integrated approach, fusing synergy between rigorous computational modeling and experimentation to quantitatively define the role of microstructures in controlling thermodynamics and kinetics of hydrogen, and the subsequent implication to HE in HSS. A multiscale modeling scheme combining machine learning will be employed to identify key nanoscale mechanisms of hydrogen segregation and kinetics at microstructures, and meanwhile to translate microscopic information into macroscopic parameters for large-scale numerical simulations. Novel high-resolution microscopy imaging techniques will be developed to visualize small-scale defect structures, and target experiments will be designed and performed to validate and calibrate theoretical and computational models. The project will further involve standard industrial HE screening tests to put the research directly in the context of industrial applications. The project will pioneer the development of an integrated computational materials engineering (ICME) approach to provide innovative solutions for the industry to optimize their existing metallurgical processes, mitigate HE damage, and accelerate the development of next-generation HE-resistant HSS. With HSS being of great versatility and significant advantages for lightweighting, this project fits the NSERC Strategic Program's Target Area of Advanced Manufacturing, on the topic of Lightweight Materials and Technologies. Moreover, it will address Canada's imperative need of ICME competency, and will train the new generation of engineers to equip them with a comprehensive knowledge base combining ICME and industrial practices and standards.