A COMSOL framework for predicting hydrogen embrittlement, Part I: coupled hydrogen transport
File(s)
Published version
Author(s)
Díaz, Andrés
Alegre, Jesús Manuel
Cuesta, Isidoro Iván
Martínez-Pañeda, Emilio
Type
Journal Article
Abstract
Hydrogen threatens the structural integrity of metals and thus predicting hydrogen-material interactions is key to unlocking the role of hydrogen in the energy transition. Quantifying the interplay between material deformation and hydrogen diffusion ahead of cracks and other stress concentrators is key to the prediction and prevention of hydrogen-assisted failures. In this work, a generalised theoretical and computational framework is presented that for the first time encompasses: (i) stress-assisted diffusion, (ii) hydrogen trapping due to multiple trap types, rigorously accounting for the rate of creation of dislocation trap sites, (iii) hydrogen transport through dislocations, (iv) equilibrium (Oriani) and non-equilibrium (McNabb–Foster) trapping kinetics, (v) hydrogen-induced softening, and (vi) hydrogen uptake, considering the role of hydrostatic stresses and local electrochemistry. Particular emphasis is placed on the numerical implementation in COMSOL Multiphysics, releasing the relevant models and discussing stability, discretisation and solver details. Each of the elements of the framework is independently benchmarked against results from the literature and implications for the prediction of hydrogen-assisted fractures are discussed. The second part of this work (Part II) shows how these crack tip predictions can be combined with crack growth simulations.
Date Issued
2025-05-02
Date Acceptance
2025-03-02
Citation
Engineering Fracture Mechanics, 2025, 319
ISSN
0013-7944
Publisher
Elsevier
Journal / Book Title
Engineering Fracture Mechanics
Volume
319
Copyright Statement
© 2025 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
License URL
Identifier
10.1016/j.engfracmech.2025.111007
Publication Status
Published
Article Number
111007
Date Publish Online
2025-03-12