A phase field-based framework for electro-chemo-mechanical fracture: crack-contained electrolytes, chemical reactions and stabilisation

DOI10.1016/J.CMA.2023.116235arXiv2307.01105OpenAlexW4385127889MaRDI QIDQ6096480FDOQ6096480

Authors: Tim Hageman, Emilio Martínez-Pañeda 

Publication date: 12 September 2023

Published in: Computer Methods in Applied Mechanics and Engineering (Search for Journal in Brave)

Abstract: We present a new theoretical and computational framework for modelling electro-chemo-mechanical fracture. The model combines a phase field description of fracture with a fully coupled characterisation of electrolyte behaviour, surface chemical reactions and stress-assisted diffusion. Importantly, a new physics-based formulation is presented to describe electrolyte-containing phase field cracks, appropriately capturing the sensitivity of electrochemical transport and reaction kinetics to the crack opening height. Unlike other existing methods, this approach is shown to accurately capture the results obtained with discrete fracture simulations. The potential of the electro-chemo-mechanical model presented is demonstrated by particularising it to the analysis of hydrogen embrittlement in metallic samples exposed to aqueous electrolytes. The finite element implementation takes as nodal degrees-of-freedom the electrolyte potential, the concentrations of relevant ionic species, the surface coverage, the concentration of diluted species, the displacement field and the phase field order parameter. Particular attention is devoted to improve stability and efficiency, resulting in the development of strategies for avoiding ill-constrained degrees of freedom and lumped integration schemes that eliminate numerical oscillations. The numerical experiments conducted showcase the ability of the model to deliver assumptions-free predictions for systems involving both free-flowing and crack-contained electrolytes. The results obtained highlight the role of electrolyte behaviour in driving the cracking process, evidencing the limitations of existing models.

Full work available at URL: https://arxiv.org/abs/2307.01105

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zbMATH Keywords

finite element methodphase fieldfracture mechanicscomputational electrochemistryhydrogen embrittlement

Mathematics Subject Classification ID

Biology and other natural sciences (92-XX) Mechanics of deformable solids (74-XX)

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• Phase field cohesive zone modeling for fatigue crack propagation in quasi-brittle materials

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