Structural and mechanical characterization of lithium-ion battery electrodes via DEM simulations

Electrode structural stability and mechanical integrity is of major importance regarding not only lithium-ion battery performance but also safety aspects. The goal of this study is to design a simulation procedure to reproduce the microstructural and mechanical properties of such lithium-ion battery electrodes. Taking into consideration the particulate state of these electrodes, a discrete element method (DEM) approach is proposed, which comprises a procedure to reproduce real electrode structures and the application of a proper contact model to capture the bulk mechanics. This is accomplished by considering particle interactions as well as the performance of the binder. Three different electrodes are manufactured with the aim of calibrating and validating the Hertzian-bond contact model. Experimental nanoindentation measurements prove to be in good agreement with the simulation outcome, concluding that the method constitutes a valuable physical and mechanical basis for further applications. (C) 2018 The Society of Powder Technology Japan. Published by Elsevier B.V. and The Society of Powder Technology Japan. All rights reserved.