Multiscale modeling of dendrite formation in lithium-ion batteries

The commercialization of Lithium-ion batteries (LIBs) with Li metal anode has reached an impasse due to the unpredictable dendrite growth, which significantly deteriorates the battery performance. Previ-ous studies show that dendrite growth is affected by the interplay among many factors, but the com-plex interaction between these factors has not been adequately addressed in the literature. In this work, we fill this knowledge gap by proposing a multiscale model for LIBs. Specifically, a kinetic Monte Carlo model describing dendrite formation at microscopic level is integrated with a macroscopic electrochem-ical model. Overall, the proposed model can (a) generate the evolution of macroscopic variables such as current density, Li-ion concentration, cell voltage, and state of charge, (b) explain their effects on the evolution of microscopic variables such as dendrite growth on the Li anode, and (c) provide a platform for optimal operation of LIBs to mitigate dendrite growth. (c) 2021 Elsevier Ltd. All rights reserved.