Quantifying the mechanical degradation of solid oxide cells based on 3D reconstructions of the real microstructure using a unified multiphysics coupling numerical framework

In this work, a multiphysics coupling numerical framework is developed to quantitatively investigate the initial performances of solid oxide cells (SOCs) based on the thermodynamically consistent integration of the finite element method (FEM) and the phase field method (PFM) to reveal the interaction between species-defect transport, electrochemical reaction kinetics, stress and mechanical damage in SOC electrodes. The modeling framework is validated by comparing the simulation results based on real 3D microstructure reconstructions of specific SOCs with the experimental measurements in electrolysis and fuel cell modes. The phenomena of internal microstructure fracture and delamination observed in the experiment thus can be numerically modeled to quantify the effects of thermal and chemical stresses on the mechanical degradation of heterogeneous electrodes. The framework is also applied in the cross-scale quantification of the possible mechanical damage in SOCs subjected to different mechanical boundary conditions. The framework proposed in this work is flexible, can be superimposed with other fields, and incorporates input from cross-scale simulations. It provides a great potential platform for the optimization of future energy devices considering actual operating conditions and fills the gap in theoretical multiphysics modeling in the field of SOCs.