Modeling framework for multiphysics-multiscale behavior of Si–C composite anode

Abstract

To achieve the urgent requirement for high energy density in lithium-ion batteries, Si-C composite anode has been spotlighted as one of the most promising alternatives for next-generation batteries. Additionally, a comprehensive computational model is indispensable in the developing process of the excellent performance of anode material due to the low-realizability, inconvenience, and high-cost of experiments. Herein, a simultaneous multiphysics-multiscale model aiming at the Si-C composite anode was developed. This model was then used to study the effects of Si percentage, mechanical constraint and charging rate in terms of electrochemical and mechanical performances. A better design to achieve high capacity was proposed based on the computational results. Results provide a powerful tool in the design, development, and evaluation of high energy density lithium-ion batteries.