Computational modelling of hydrogen assisted fracture in polycrystalline materials
File(s)1-s2.0-S0360319922031317-main.pdf (5.04 MB)
Published version
Author(s)
Valverde-González, A
Martínez-Pañeda, E
Quintanas-Corominas, A
Reinoso, J
Paggi, M
Type
Journal Article
Abstract
We present a combined phase field and cohesive zone formulation for hydrogen embrittlement that resolves the polycrystalline microstructure of metals. Unlike previous studies, our deformation-diffusion-fracture modelling framework accounts for hydrogen-microstructure interactions and explicitly captures the interplay between bulk (transgranular) fracture and intergranular fracture, with the latter being facilitated by hydrogen through mechanisms such as grain boundary decohesion. We demonstrate the potential of the theoretical and computational formulation presented by simulating inter- and trans-granular cracking in relevant case studies. Firstly, verification calculations are conducted to show how the framework predicts the expected qualitative trends. Secondly, the model is used to simulate recent experiments on pure Ni and a Ni–Cu superalloy that have attracted particular interest. We show that the model is able to provide a good quantitative agreement with testing data and yields a mechanistic rationale for the experimental observations.
Date Issued
2022-09-01
Date Acceptance
2022-07-14
Citation
International Journal of Hydrogen Energy, 2022, 47, pp.1-17
ISSN
0360-3199
Publisher
Elsevier BV
Start Page
1
End Page
17
Journal / Book Title
International Journal of Hydrogen Energy
Volume
47
Copyright Statement
© 2022 The Author(s). Published by Elsevier Ltd on behalf of Hydrogen Energy Publications LLC. This is an open access article under the CC BY
license (http://creativecommons.org/licenses/by/4.0/).
license (http://creativecommons.org/licenses/by/4.0/).
License URL
Sponsor
Medical Research Council (MRC)
Engineering & Physical Science Research Council (EPSRC)
Identifier
https://doi.org/10.1016/j.ijhydene.2022.07.117
Grant Number
MR/V024124/1
EP/V009680/1
Subjects
cond-mat.mtrl-sci
cond-mat.mtrl-sci
cs.CE
physics.app-ph
physics.chem-ph
physics.comp-ph
03 Chemical Sciences
09 Engineering
Energy
Publication Status
Published
Date Publish Online
2022-08-15