Synthetic Degradation Dataset of 5 NMC 811 Batteries with Cracking-Induced Knees

Description

A synthetic degradation dataset of 5 NMC 811 cells is generated using physics-based models. Battery models: Underlying battery states are simulated using a Doyle-Fuller-Newman (DFN) model, and two degradation mechanisms (i.e., solid electrolyte interphase growth and particle cracking) at the negative electrode are coupled with the DFN model in Python Battery Mathematical Modeling (PyBaMM) library. Model parameters: The DFN model parameters are taken from Chen et al. [1] for a commercial NMC 811/graphite-SiOx cylindrical cell from LG Chem (INR21700 M50, 5 Ah). The values of electrode and electrolyte parameters can be found in the supplementary information of Ref. [2]. The parameters of the degradation models in PyBaMM are taken from multiple sources and can also be found in the supplementary information of Ref. [2]. The cracking rates in these cells are set to be 10, 20, 30, 40, and 50 times the standard particle cracking rate in Ref. [3]. Cycling protocols: The cells are charged with a 1C constant current-constant voltage (CC-CV) step to 4.2 V and a current cut-off of C/100 (50 mA) followed by a rest for 5 minutes. Subsequently, the cells are discharged at 1C to 2.5 V with a current cut-off of C/100 (50 mA) and then at rest for 5 minutes. The ambient temperature is set to be constant at 25°C. References [1] Chen CH, Planella FB, O’regan K, Gastol D, Widanage WD, Kendrick E. Development of experimental techniques for parameterization of multi-scale lithium-ion battery models. Journal of The Electrochemical Society. 2020 May 15;167(8):080534. [2] O'Kane SE, Ai W, Madabattula G, Alonso-Alvarez D, Timms R, Sulzer V, Edge JS, Wu B, Offer GJ, Marinescu M. Lithium-ion battery degradation: how to model it. Physical Chemistry Chemical Physics. 2022;24(13):7909-22. [3] Purewal J, Wang J, Graetz J, Soukiazian S, Tataria H, Verbrugge MW. Degradation of lithium ion batteries employing graphite negatives and nickel–cobalt–manganese oxide+ spinel manganese oxide positives: Part 2, chemical–mechanical degradation model. Journal of power sources. 2014 Dec 25;272:1154-61.

Steps to reproduce

The main packages and versions used for generating this synthetic data are as follows: 1. python (3.9.13) 2. pybamm (22.9) 3. casadi (3.5.5) 4. scipy (1.9.1)

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