Virtual Hydrogen Lab: Computational Predictions of Hydrogen Uptake, Diffusion, and Embrittlement

Metallic materials experience a dramatic reduction in ductility, fracture toughness, and fatigue resistance in the presence of hydrogen (up to 90%!). This phenomenon, so-called hydrogen embrittlement, is pervasive across the transport, defense, energy, and construction sectors, due to the ubiquitousness of hydrogen and the higher susceptibility of modern, high-strength alloys. Moreover, hydrogen embrittlement is one of the biggest threats to the future of hydrogen as a clean energy carrier.

In this webinar, guest speaker Prof. Emilio Martinez-Paneda of the University of Oxford will provide an overview of recent computational efforts in his group to shed light on the nature of hydrogen-assisted failures, a long-standing scientific and technological challenge. The focus will be on demonstrating how improved physical understanding has led to the development of a new class of coupled mechanistic models capable of providing physically based predictions. The predictive capabilities of this new class of electrochemomechanical models lie in their ability to resolve the physical processes involved in hydrogen embrittlement. Thus, the modeling framework accurately describes: (i) hydrogen uptake from both gaseous and aqueous electrolyte environments, (ii) the diffusion and trapping of dissolved hydrogen, and (iii) the nucleation and growth of cracks, assisted by hydrogen.

The potential of the framework will be demonstrated through two case studies of significant technological interest:

1. Quantifying the critical pressure at which hydrogen can be transported in natural gas pipelines without leading to structural integrity issues in welds
2. Conducting reliable virtual hydrogen-assisted fatigue crack growth experiments for arbitrary choices of loading frequency, material, load ratio, precharging condition, and hydrogen pressure