Abstract Scope |
Mesoscale simulations are increasingly popular for assessing the electrochemical performance of battery electrodes. While many of the simulations consider effective transport properties or solve species/electrical transport and electrochemical reactions, most do not consider the impact that mechanical stress has on electrochemical performance, safety, and aging. In this talk, we present mesoscale simulations that couple electrochemical performance with mechanical deformation and stress for a variety of battery electrodes. First, we focus on the interaction between diffusion-induced stresses in particles and the conductive binder domain (CBD) in NMC electrodes, characterizing the impact of calendaring, electrode recipe, and CBD morphology. We next discuss FeS2, which undergoes both intercalation and conversion reactions. Finally, we address lithium metal anodes, whose electrochemical performance is strongly tied to the stress state at its interface, while stresses can mechanically modify the pore structure of the neighboring separator, further changing transport processes. |