Synergistic Hydrogen Assessment for Repurposed Pipelines: Integrated Multiscale-Experimental Approach for Embrittlement Risk Mitigation

Objective

The safe repurposing of existing natural gas pipelines for hydrogen transport is a key enabler of the EU’s decarbonization strategy. However, legacy pipeline steels are vulnerable to hydrogen embrittlement (HE), which can lead to premature fracture under service conditions. This project aims to develop a predictive, multiscale modeling framework that bridges first-principles calculations, atomistic simulations, and continuum mechanics to understand and mitigate HE in pipeline materials. Density Functional Theory (DFT) will be used to quantify hydrogen interactions at crystal defects such as vacancies, dislocations, and grain boundaries. Molecular Dynamics (MD) simulations will capture crack initiation and defect evolution under hydrogen exposure. These atomistic insights will be integrated into Finite Element Method (FEM) models for hydrogen diffusion and stress-assisted damage accumulation. The models will be validated against in-house bicrystal experiments involving hydrogen charging and fracture characterization. The project also emphasizes interoperability and reproducibility through open science practices. By combining computational and experimental approaches, it aims to deliver transferable parameters, validated mechanistic insights, and tools that support alloy design, risk assessment, and lifetime prediction in hydrogen infrastructure. The outcomes will be disseminated through publications, workshops, and industry-academic networks including the Clean Hydrogen Partnership. This work directly supports EU goals for climate neutrality and safe energy transitions.