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  Hein, S.; Feinauer, J.; Westhoff, D.; Manke, I.; Schmidt, V.; Latz, A.: Stochastic microstructure modeling and electrochemical simulation of lithium-ion cell anodes in 3D. Journal of Power Sources 336 (2016), p. 161-171

10.1016/j.jpowsour.2016.10.057
Open Access Version (externer Anbieter)

Abstract:
Thermodynamically consistent transport theory is used to compare 3D images of real anode microstructures from lithium-ion batteries to virtual ones created by a parametric stochastic 3D microstructure model. Half-cell simulations with dierent applied currents show that for low currents the deviations between various electrochemical quantities like current density or overpotential are negligibly small. For larger currents small dierences become more pronounced. Qualitative and quantitative dierences of these features are discussed with respect to the microstructure and it is shown that the real and virtual structures behave similar during electrochemical simulations. Extensions of the stochastic microstructure model, which overcome small dierences in electrochemical behavior, are proposed. Keywords: 3D microstructure modeling, lithium-ion battery, thermodynamically consistent transport theory, virtual materials testing, model validation