Hierarchical DNF Half-Cell model

New Hierarchical DFN Model in PyBaMM

Hi everyone,

I’ve implemented a Hierarchical DFN (H-DFN) model in PyBaMM.

This model introduces a hierarchical particle structure, where each secondary particle is composed of primary particles. The secondary particle dynamics are regulated by ion and electron transport in both the electrolyte and solid phase, while primary particles follow Fick’s law for diffusion.

Key Features:

  • Captures both primary and secondary particle dynamics
  • Can include/exclude electrolyte diffusion within the secondary particles
  • Can include/exclude solid diffusion within the primary particles
  • Offers multiple surface formulations (algebraic, differential, or full potential-based)

The model and an example of usage are available in Github Repo as a new class HierDFNHalfCell, extending the classic Doyle-Fuller-Newman (DFN) model to account for hierarchical electrode architectures. It allows for defining primary particle diffusion, electrolyte transport, and interfacial reactions within the particles.

Reference:
O. Birkholz and M. Kamlah, Electrochemical Modeling of Hierarchically Structured Lithium‐Ion Battery Electrodes, Energy Tech, vol. 9, no. 6, p. 2000910, 2021. DOI: 10.1002/ente.202000910

Looking forward to feedback and suggestions for further improvements.

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