Multi‐Physical Field Simulation: A Powerful Tool for Accelerating Exploration of High‐Energy‐Density Rechargeable Lithium Batteries

Abstract To meet the booming demand of high‐energy‐density battery systems for modern power applications, various prototypes of rechargeable batteries, especially lithium metal batteries with ultrahigh theoretical capacity, have been intensively explored, which are intimated with new chemistries, novel materials and rationally designed configurations. What happens inside the batteries is associated with the interaction of multi‐physical field, rather than the result of the evolution of a single physical field, such as concentration field, electric field, stress field, morphological evolution, etc. In this review, multi‐physical field simulation with a relatively wide length and timescale is focused as formidable tool to deepen the insight of electrodeposition mechanism of Li metal and the electro‐chemo‐mechanical failure of solid‐state electrolytes based on Butler‐Volmer electrochemical kinetics and solid mechanics, which can promote the future development of state‐of‐the‐art Li metal batteries with satisfied energy density as well as lifespan.