A Computational Model of the Mechanical Behavior within Reconstructed Li{sub x}CoO{sub 2} Li-ion Battery Cathode Particles Malavé, Veruska; Berger, J. R.; Zhu, Huayang; Kee, Robert J. 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ANISOTROPY; CATHODES; CLATHRATES; DIFFUSION; ION BEAMS; LITHIUM IONS; PARTICLES; SCANNING ELECTRON MICROSCOPY; STRESSES A coupled electrochemical-mechanical model is developed and applied to predict transient three-dimensional stress fields within reconstructed Li{sub x}CoO{sub 2} cathode particles from commercial Li-ion batteries. The reconstructed particle geometries are derived from focused-ion-beam–scanning-electron-microscopy (FIB-SEM) experiments. The study uses three individual particles, representing typical sizes and shapes. The mechanical model incorporates measured anisotropic strain within the Li{sub x}CoO{sub 2} lattice and includes strains due to phase transformations. The stresses are generally found to be compressive in the particle interiors and tensile near the surfaces. Small-scale surface morphology, high Li concentration gradients, and phase transformations are found to have a major influence on the stresses, with particularly high tensile stresses near small protuberances and concave notch-like features on the electrode surfaces. The study considers 1C and 5C discharge rates. The qualitative behaviors are similar at different discharge rates, but the stress magnitudes are higher at higher discharge rates. Available from http://dx.doi.org/10.1016/j.electacta.2014.03.113 United Kingdom 2014-06-01 English Journal Article Journal Name: Electrochimica Acta; Journal Volume: 130; Other Information: Copyright (c) 2014 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA) Medium: X; Size: page(s) 707-717 https://doi.org/10.1016/J.ELECTACTA.2014.03.113 PII: S0013-4686(14)00626-4 [] 130 Journal ID: ISSN 0013-4686; CODEN: ELCAAV; Other: PII: S0013-4686(14)00626-4; TRN: GB15R1463036915 INIS 2015-05-07 22330686