  In this work, we present a computational framework for coupled
electro-chemo-(nonlinear) mechanics at the particle scale for solid-state
batteries. The framework accounts for interfacial fracture between the active
particles and solid electrolyte due to intercalation stresses. We extend
discontinuous finite element methods for a sharp interface treatment of
discontinuities in concentrations, fluxes, electric fields and in
displacements, the latter arising from active particle-solid electrolyte
interface fracture. We model the degradation in the charge transfer process
that results from the loss of contact due to fracture at the electrolyte-active
particle interfaces. Additionally, we account for the stress-dependent kinetics
that can influence the charge transfer reactions and solid state diffusion. The
discontinuous finite element approach does not require a conformal mesh. This
offers the flexibility to construct arbitrary particle shapes and geometries
that are based on design, or are obtained from microscopy images. The finite
element mesh, however, can remain Cartesian, and independent of the particle
geometries. We demonstrate this computational framework on micro-structures
that are representative of solid-sate batteries with single and multiple anode
and cathode particles.

Materials Science