Three-dimensional peridynamic model for predicting fracture evolution during the lithiation process

Abstract

Due to its large electric capacity, silicon has become one of the most promising electrode materials for lithium ion batteries. However, silicon undergoes large volumetric expansion and material stiffness reduction during the charging process. This can lead to fracture and failure of lithium-ion batteries. Damage formation and evolution inside the electrode are influenced by the lithium ion concentration and electrode material. High stress gradients induced by heterogeneous deformation can lead to massive migration of lithium ions towards high geometrical singularity regions, such as crack edge regions, which increases the lithium ion concentration. Fully coupled mechanical diffusion equations are important in describing the mechanics of this problem. In this study, the three-dimensional peridynamic theory is presented to solve the coupled field problem. In addition, the newly developed peridynamic differential operator concept is utilized to convert partial differential equations into peridynamic form for the diffusion equation. Spherical and cylindrical shaped energy storage structures with different pre-existing penny-shaped cracks are considered to demonstrate the capability of the developed framework. It is shown that peridynamic theory is a suitable tool for predicting crack evolution during the lithiation process.