Multiscale modeling of degradation in lithium-ion batteries

This book provides a comprehensive methodology for multiscale simulation of degradation in lithium-ion batteries. The work helps to understand battery degradation processes by revealing complex multiscale effects, which cannot be taken into account by single-scale models. A novel numerical method is presented, which dynamically couples molecular models based on kinetic Monte Carlo method with macroscopic models. Moreover, the work provides mathematical models of degradation on various length scales, e. g. heterogeneous side reactions on molecular scale and the restructuring of particle size distributions on electrode scale. Instead of describing processes separately, the multiscale methodology systematically analyzes interaction of degradation processes and cell operation. The presented methodology is certainly applicable to other electrochemical systems with considerable multi-scale nature.