期刊
JOURNAL OF POWER SOURCES
卷 336, 期 -, 页码 161-171出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.jpowsour.2016.10.057
关键词
3D microstructure modeling; Lithium-ion battery; Thermodynamically consistent transport theory; Virtual materials testing; Model validation
资金
- German Ministry of Education and Research (BMBF) [05M13PMA]
- bwHPC initiative
- Ministry of Science, Research and the Arts Baden-Wurttemberg (MWK)
- Germany Research Foundation (DFG)
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 in 3D with spatially resolved microstructures at different 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 differences become more pronounced. Qualitative and quantitative differences 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 differences in electrochemical behavior, are proposed. (C) 2016 Elsevier B.V. All rights reserved.
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