Research Projects

Hydrogen embrittlement (HE) poses a significant challenge in steel, driven by hydrogen segregation at microstructural defects such as grain boundaries (GBs), which severely compromise material integrity. Despite extensive research, the complex interaction of stress, diffusion, and defect behavior in HE mechanisms remains inadequately understood. This project seeks to address these challenges by developing a predictive, multi-scale framework to study hydrogen segregation in polycrystalline iron. The framework combines phase-field modeling (PFM) with atomic-scale data from Molecular Dynamics (MD) simulations and experimental findings to provide a comprehensive understanding of the phenomenon. The proposed model will explore the influence of key factors, including grain size, grain boundary properties, and atomic diffusivity, on hydrogen segregation behavior. Furthermore, it will investigate how anisotropic grain boundary characteristics impact diffusion flux and segregation kinetics. While the primary focus is on hydrogen segregation at grain boundaries in ferritic steel, the framework is designed to be generalizable. It can extend to other hydrogen trapping sites, such as phase boundaries, voids, and precipitates, particularly under mechanical stress. This research aims to advance our understanding of hydrogen interactions in steel, ultimately enabling the development of effective strategies to mitigate hydrogen embrittlement and enhance the reliability and longevity of materials in critical applications.