Fitting Battery Degradation: Across Different C-rates and Temperatures

I’ve been working with LG21700 battery cycling data (current, voltage, charge and discharge capacity, time steps) collected experimentally at different C-rates (0.5C, 1C, 2C) and temperatures (10°C, 20°C, 40°C). Now I’m trying to develop a physical degradation model that captures behavior across these conditions.

For those who have experience with battery degradation modeling, which mechanisms would you prioritize? I’m thinking about screening a grid of different PyBamm parameters for a DFN model and choose the model which has the loss between simulated and experimental capacity curves.

My specific questions:

  • Which degradation mechanisms are most important to include given the C-rate and temperature ranges and what parameters would you recommend screening first and how would you choose the grid?
  • Is PyBOP a good tool for this kind of fitting?
  • Any performance tips for parameter optimization across multiple conditions?

Thanks in advance for the help

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Hi @t-schilt, I have extensive experience in degradation modelling of the LG M50 21700 cell. I found that SEI (interstitial-diffusion limted) and stress-drive loss of active material are the most important mechanisms for that cell under the conditions you describe. Please see my former PhD student’s recent paper for more details.

Hi 'SEI reaction exchange current density [A.m-2]' and 'SEI lithium interstitial diffusivity [m2.s-1]' the parameters vary with respect to C-rates as I manually combined interstitial diffusion limited and reaction limited models . 'SEI growth activation energy [J.mol-1]' parameter can be used to fit temperature values. I suggest u can manually try to change these parameters and fit the experimental degradation curve and later you can fine tune the parameters using scipy.optimize.minimize using L-BFGS method with tight bounds. This will be time saving to find the parameters to fit the model.