Framework for a chemo‐mechanical model of the breathing effect in lithium–silicon batteries

Abstract

We present a chemo‐mechanical finite element method model for the breathing effect of the silicon anode during lithiation and delithiation. The model is based on the framework for gradient extended standard dissipative solids. It couples diffusion of lithium ions, phase transformation with a moving phase boundary, and the related volume changes, which lead to mechanical stresses in the material. The driving force for diffusion is given by the gradient of the electrochemical potential. Phase transformation and phase boundary movement are described by the Allen–Cahn equation in combination with a constrained double obstacle potential. To shift the constraint from the nodes to the Gauss points, the model makes use of the micromorphic approach.