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  Feinauer, J.; Brereton, T.; Spettl, A.; Weber, M.; Manke, I.; Schmidt, V.: Stochastic 3D modeling of the microstructure of lithium-ion battery anodes via Gaussian random fields on the sphere. Computational Materials Science 109 (2015), p. 137-146

10.1016/j.commatsci.2015.06.025

Abstract:
The performance and durability of lithium-ion batteries are highly dependent on the microstructures of their components. Recently, methods have been developed that make possible the simulation of electrochemical processes on 3D representations of lithium-ion batteries. However, it is difficult to obtain realistic microstructures on which these simulations can be carried out. In this paper, we develop a stochastic model that is able to produce realistic microstructures of lithium-ion battery anodes, which can serve as input for the simulations. We introduce the use of Gaussian random fields on the sphere as models for the particles that form the anodes. Using this new approach, we are able to model realistic particle geometries. The stochastic model also uses a number of techniques from stochastic geometry and spatial statistics. We carry out validation of our model, in order to demonstrate that it realistically describes the key features of the anode’s microstructure.