4.7 Article

Computational modelling of hydrogen assisted fracture in polycrystalline materials

Journal

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
Volume 47, Issue 75, Pages 32235-32251

Publisher

PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.ijhydene.2022.07.117

Keywords

Phase field; Hydrogen embrittlement; Cohesive zone model; Elasto-plastic fracture; Finite element method

Funding

  1. Erasmus [2020-1-IT02-KA103-078114]
  2. EPSRC [EP/V009680/1]
  3. UKRI's Future Leaders Fellowship programme [MR/V024124/1]
  4. European Union-NextGenerationEU
  5. Ministry of Universities and Recovery, Transformation and Resilience Plan of the Spanish Government through a call of the University of Girona [REQ2021-A-30]
  6. Ministry of Science, Innovation and Universities [PGC2018-099197-B-I00]
  7. Consejeria de Economia y Conocimiento, Junta de Andalucia
  8. European Regional Development Fund [US-1265577, P20-00595]
  9. Italian Ministry of Education, University and Research (MIUR) [CUP: D68D19001260001]

Ask authors/readers for more resources

This article presents a combined phase field and cohesive zone formulation for hydrogen embrittlement in metals, which resolves the polycrystalline microstructure. The model takes into account the hydrogen-microstructure interactions and explicitly captures the interplay between bulk fracture and intergranular fracture. Simulations in relevant case studies show the potential of the theoretical and computational formulation in capturing inter- and trans-granular cracking.
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. (C) 2022 The Author(s). Published by Elsevier Ltd on behalf of Hydrogen Energy Publications LLC.

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