The effect of mechanical stress on lithium distribution and geometry optimisation for multi-material lithium-ion anodes

Abstract: A model is presented for predicting the open-circuit voltage (OCV) and lithium distribution within lithium-ion anodes containing multiple materials, coupling linear elasticity with a stress-dependent chemical potential. The model is applied to a spherical radially-symmetric nano-particle with a silicon core and a graphite shell, highlighting the large effect on lithium distribution and OCV caused by the stress-coupling. Various performance measures based on the expanded volume, the amount of lithium intercalated and the maximum stress induced, are calculated for a silicon core with a graphite shell to enable optimisation of the volume of the silicon core.