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

TL;DR

This paper introduces a comprehensive phase field-based computational framework for electro-chemo-mechanical fracture, accurately modeling electrolyte behavior, chemical reactions, and crack evolution, with applications to hydrogen embrittlement.

Contribution

It presents a novel physics-based formulation for electrolyte-containing cracks within a phase field model, improving accuracy over existing methods and capturing complex electrochemical interactions.

Findings

Accurately captures electrochemical transport and reactions at crack surfaces.

Demonstrates predictions for systems with both free-flowing and contained electrolytes.

Highlights electrolyte influence on crack propagation and limitations of prior models.

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.