Fig. 1: Modelling nanoporous, polycrystalline agglomerates.
From: Simulation of intercalation and phase transitions in nano-porous, polycrystalline agglomerates
a Nanoporous LiXTMO2 cathode particle in half-cell configuration. b The model combines the smoothed boundary method to parametrize the interface between electrolyte and active material with the multiphase-field approach to model anisotropic diffusion in polycrystalline agglomerates coupled with phase transitions. Secondary particle morphologies of (c) as-prepared NCM111 and (d) nano-porous NMC111 after spraydrying reproduced from Müller et al.5 published under a CC BY-NC-ND licence. The NaXNi1/4Mn3/4O2 particle shown in (e) is reproduced from Pfeiffer et al.3 and has been published under the CC BY licence.
