Efficient Simulation of Chemical–Mechanical Coupling in Battery Active Particles

Coupling of chemistry and mechanics causes large stresses deterioration in battery active particles, which undergo a phase change. The Cahn–Hilliard approach coupled to deformations provides framework theoretically investigate the underlying physics. However, solving this model is computationally expensive, so that current application limited. In article, thermodynamically consistent phase-field coupling Cahn–Hilliard-type separation developed. implemented using space time adaptive numerical solution algorithm based on finite element method. At example lithium iron phosphate, simulations are performed physical aspects solver. strong interrelation between chemistry, transformation, shown. particular, interfacial energy coefficient has major impact stress inside material. Moreover, presented outperforms classical implementations. This enables analysis demanding parameter choices multidimensional geometries.