Numerical Simulation Study and Stress Prediction of Lithium-Ion Batteries Based on an Electrochemical–Thermal–Mechanical Coupled Model

In lithium-ion batteries, the fracture of active particles that are under stress is a key cause of battery aging, which leads to a reduction in active materials, an increase in internal resistance, and a decay in battery capacity. A coupled electrochemical–thermal–mechanical model was established to study the concentration and stress distributions of negative electrode particles under different charging rates and ambient temperatures. The results show that during charging, the maximum lithium-ion concentration occurs on the particle surface, while the minimum concentration appears at the particle center. Moreover, as the temperature decreases, the concentration distribution of negative electrode active particles becomes more uneven. Stress analysis indicates that when charging at a rate of 1C and 0 °C, the maximum stress of particles at the negative electrode–separator interface reaches 123.7 MPa, while when charging at 30 °C, the maximum particle stress is 24.3 MPa. The maximum shear stress occurs at the particle center, presenting a tensile stress state, while the minimum shear stress is located on the particle surface, showing a compressive stress state. Finally, to manage the stress of active materials in lithium-ion batteries while charging for health maintenance, this study uses a DNN (Deep Neural Network) to predict the maximum shear stress of particles based on simulation results. The predicted indicators, MAE (Mean Absolute Error) and RMSE (Root Mean Square Error), are 0.034 and 0.046, respectively. This research is helpful for optimizing charging strategies based on the stress of active materials in lithium-ion batteries during charging, inhibiting battery aging and improving safety performance.