A parameter study of intercalation of lithium into storage particles in a lithium-ion battery

• Published in: Computational materials science 2013-12, Vol.80, p.2-14
• Main Authors: Purkayastha, Rajlakshmi, McMeeking, Robert
• Format: Article
• Language: English
• Subjects: Coupled diffusion-stress model; Intercalation; Lithium-ion batteries; Stress maps
• ISSN: 0927-0256; 1879-0801
• DOI: 10.1016/j.commatsci.2012.11.050

► Stress maps are developed for the insertion of lithium into storage particles. ► Non-dimensional parameters that govern the stress response are identified. ► The presence of strong coupling between stress and concentration gradients is found. The effect of stress on storage particles within a lithium ion battery, while acknowledged, is not fully understood. In this study we identify three non-dimensional parameters which govern the stress response within a spherical storage particle, and we carry out numerical simulations to characterize the stresses that are developed. The non-dimensional parameters are developed using system properties such as the diffusion coefficient, particle radius, lithium partial molar volume and Young’s modulus. Stress maps are generated for various values of these parameters for fixed rates of insertion, with boundary conditions applied to particles similar to those found in a battery. Stress and lithium concentration profiles for various values of these parameters show that the coupling between stress and concentration is magnified depending on the values of the parameters. The resulting maps can be used for different materials, depending on the value of the dimensionless parameters. Finally, the value of maximum stress generated is calculated for extraction of lithium from the particle and compared with those generated during insertion.