Three-Dimensional Mesoscale Modeling of Anisotropic Mechanical Deformation in Lithium-Ion Electrodes
In this presentation, we demonstrate our recent efforts in performing three-dimensional simulations of Lithium-Ion electrode materials at the mesoscale, with hundreds of particles included. Our focus will be on anisotropic mechanical deformation, with additional physics (such as thermal and species transport) included to appropriately drive the mechanical deformation. The simulations will include anisotropy within individual particles and demonstrate stochastic initiation of lithiation. This simulation approach will be deployed on multiple configurations, including spherical particles packs generated from measured particle size distributions and reconstructed geometries from FIB-SEM cuts of actual electrode materials.
* Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-AC04-94AL85000.