Modeling Lithium Diffusion in Battery Cathodes Considering Chemo-Mechanically Induced Damage

Jeffery Allen, Peter Weddle, Ankit Verma, Anudeep Mallarapu, Francois Usseglio-Viretta, Donal Finegan, Andrew Colclasure, Weijie Mai, Volker Schmidt, Orkun Furat, David Diercks, Tanvir Tanim, Kandler Smith

Research output: NRELPoster


This talk will present a 3D, continuum-level damage model for simulating Lithium diffusion within generated Li_{x}Ni_{0.5}Mn_{0.3}Co_{0.2} (NMC 532) secondary cathode particles. The primary motivation of the particle-level model is to inform cathode-particle design and determine charging profiles that reduce cathode fracture. The model considers NMC 532 secondary particles containing an agglomeration of anisotropic, randomly oriented grains. The model predicts that secondary-particle fracture is primarily due to non-ideal grain interactions with slight dependence on high-rate charge demands. The model predicts that small secondary-particles with large grains develop significantly less damage than larger secondary particles with small grains. Finally, the model predicts most of the chemo-mechanical damage accumulates in the first high-rate cycles. This chemo-mechanical “damage saturation” effect indicates that initial secondary-particle fracture occurs within the first few cycles, while long-term cathode degradation is not solely chemo-mechanically induced.
Original languageAmerican English
StatePublished - 2021

NREL Publication Number

  • NREL/PO-2C00-80050


  • cathode capacity-loss
  • chemo-mechanics
  • continuum damage
  • Li-ion battery
  • NMC 532


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