Next Generation Electro-Chemo-Mechanical Models for Hydrogen Embrittlement (NEXTGEM)

Lead Research Organisation: Imperial College London
Department Name: Civil & Environmental Engineering

Abstract

Hydrogen is ubiquitous and has two faces. On the one hand, it is at the core of the most promising solutions to our energy crisis. Hydrogen isotopes fuel the nuclear fusion reaction, the most efficient potentially useable energy process. Moreover, hydrogen is widely seen as energy carrier of the future and the most versatile means of energy storage. It can be produced via electrolysis from renewable sources, such as wind or solar power, and stored to be used as a fuel or as a raw material in the chemical industry.

On the other hand, hydrogen is widely known to cause catastrophic failures in metallic materials and structures, hampering these opportunities. Metals become brittle when exposed to hydrogen-containing environments, with the fracture resistance decreasing by up to 90%. This so-called hydrogen embrittlement phenomenon not only jeopardises the role of hydrogen as a potential solution to the global energy crisis but also constitutes one of the biggest threats to the integrity of the current energy infrastructure. The problem is particularly severe in aggressive environments, such as those experienced by the offshore industry, as corrosive mitigation strategies like cathodic protection exacerbate the production of hydrogen. Moreover, hydrogen embrittlement is becoming increasingly notorious due to the higher susceptibility of modern, high-strength steels. Decades of metallurgical research have led to the development of metals with high and ultra-high strengths. These modern alloys open new horizons in reducing weight, material use and costs while increasing performance and safety (fatigue resistance). For example, ultra-high strength steels are essential in meeting targets on CO2 emissions through vehicle weight reduction. However, the susceptibility to hydrogen embrittlement increases with material strength and the increasing uptake of these new high-performance materials has made hydrogen assisted fractures commonplace across a wide variety of sectors and applications in otherwise benign environments, from bolt cracking at the Leadenhall tower to rail failures in underground systems. There is an urgent need to understand the multiple physical mechanisms behind this hydrogen-induced degradation and develop models that can predict failures as a function of the environment, the loading conditions and the material properties.

This EPSRC New Investigator Award aims at developing a new generation of models that can predict local hydrogen uptake and subsequent cracking by resolving the electrochemistry-diffusion interface and shedding light into critical uncertainties in surface behaviour and trapping. An accurate estimation of hydrogen ingress for a given bulk environment is the main bottleneck preventing the application of current chemo-mechanics models in engineering assessment. Occluded areas such as cracks, pits or other defects exhibit very different chemistry to the bulk environment, and local measurements are unfeasible apart from controlled laboratory experiments. NEXTGEM will merge mechanics with electrochemistry, combining experiments, multi-physics modelling and Bayesian inference to resolve the scientific challenges holding back the applicability of hydrogen embrittlement models. This new generation of electro-chemo-mechanics models for hydrogen embrittlement will be used to enable a safe use of high strength alloys, optimise material selection and inspection planning, and prevent catastrophic failures.

The project involves world-renowned academic collaborators with expertise complementary to that of the PI and leading firms in the offshore energy sector, operating the oldest large-scale wind farm in the world (Horns Rev 1). The applicability of the models developed will be demonstrated by continuous monitoring of critical components, in a piece of proof-of-concept research that can have wider implications across the transport, defence, construction and energy sectors.

Publications

10 25 50
 
Description The first half of the project led to the development of a physically-based model for quantifying the ingress of hydrogen into metals exposed to aqueous electrolytes (https://doi.org/10.1016/j.corsci.2022.110681). This is an important scientific and technological milestone that enables, for the first time, to predict hydrogen uptake as a function of the material, the environment (including fluid velocity) and the defect geometry. This is of notorious importance because it constitutes the first step in preventing hydrogen embrittlement in aqueous environments and because it enables establishing a connection with hydrogen gas charging conditions, which are the most relevant to the energy transition. The latter makes it possible to leverage decades of experimental electrochemical hydrogen research and provides an avenue for investigating hydrogen-metal interactions relevant to the energy transition through the use of safe and cheap experiments. This was followed by the development of new computational procedures (https://doi.org/10.1149/1945-7111/acb971 ; https://doi.org/10.1016/j.cma.2023.116235) that significantly accelerate calculations and are now being integrated into commercial finite element packages.
Exploitation Route Two important applications of the model developed include: (1) predicting the failure of metals exposed to hydrogen-containing aqueous environments, and (2) establishing an "equivalent fugacity" for hydrogen uptake from aqueous electrolytes, connecting hydrogen gas and electrochemical charging scenarios. These would allow for preventing catastrophic failures in the construction, defence, transport and energy sectors, and accelerating the energy transition through a safe deployment of a hydrogen energy infrastructure.
Sectors Aerospace

Defence and Marine

Construction

Energy

Manufacturing

including Industrial Biotechology

Transport

 
Description The model developed is being integrated into commercial finite element packages. An example is COMSOL: https://www.comsol.com/model/hydrogen-diffusion-in-metals-116021
First Year Of Impact 2023
Sector Aerospace, Defence and Marine,Construction,Energy,Transport
Impact Types Economic

 
Title COMSOL Physics builder to predict hydrogen uptake in metals 
Description This is a new module that can be incorporated into the commercial finite element package COMSOL to predict hydrogen uptake in metals. 
Type Of Material Computer model/algorithm 
Year Produced 2022 
Provided To Others? Yes  
Impact The model provides the first formulation and numerical implementation for resolving the electrochemical-diffusion interface, enabling quantifying hydrogen ingress, the main unknown in the modelling and prevention of hydrogen-assisted fractures and a fundamental element in the design of efficient hydrogen electrolysers. No other model capable of doing this exists (either commercial or scientific). 
URL https://www.imperial.ac.uk/mechanics-materials/codes/
 
Title MATLAB code to predict hydrogen uptake using lumped integration 
Description Finite element MATLAB code for electrochemical reactions, using lumped integration for efficiency and robustness, and particularised to the case of hydrogen uptake. 
Type Of Material Computer model/algorithm 
Year Produced 2023 
Provided To Others? Yes  
Impact The code developed is significantly more robust and orders of magnitude faster than the only existing code available for predicting hydrogen uptake (which was developed by us using the platform COMSOL). This is because of a lumped integration technique developed, which is now being considered for implementation in several commercial finite element packages. The improvements in stability and efficiency enable simulating for the first time hydrogen uptake over scales relevant to engineering practice. 
URL https://www.imperial.ac.uk/mechanics-materials/codes/
 
Description Stand at the Exhibition Road Festival 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach National
Primary Audience Public/other audiences
Results and Impact A stand was presented in the Exhibition Road Festival, showcasing the latest findings of our active research grants and more generally disseminating our activities. The event attracts tens of thousands of attendees over a weekend.
Year(s) Of Engagement Activity 2022
URL https://www.greatexhibitionroadfestival.co.uk/