Reservoir-based lithium-ion battery degradation model (code + data)

This repository contains the code and supporting data for the paper:

“Lithium-ion battery degradation: Introducing the concept of reservoirs to design for lifetime”
Mohammed Asheruddin Nazeeruddin, Ruihe Li, Simon E. J. O’Kane, Monica Marinescu, Gregory J. Offer

Overview

The repository implements a DFN/P2D (physics-based) lithium-ion cell model in PyBaMM with five coupled degradation mechanisms, and uses a “reservoir” framing (finite internal resources that are progressively consumed) to study how tuning design variables (e.g., lithium inventory, porosity, electrolyte volume) shifts degradation pathways and service life.

PyBaMM compatibility: this codebase is compatible with PyBaMM v22 (22.x series).

Repository layout

All content is inside the Reservoir/ directory.

Core code

• Full_5Exp_5Ts_AddLi.py
  Main driver script. Reads an input bundle, runs the PyBaMM experiment(s), and writes outputs (Excel/MAT/PKL/plots).
  Includes an HPC/PBS execution mode.
• Fun_P2.py
  Core model + pipeline: assembles the DFN/P2D model with 5 coupled degradation mechanisms, executes PyBaMM experiments, post-processes outputs, and performs validation/diagnostics against the included experimental data.
• OKane2023.py
  Parameter file used by the model (imported by the pipeline).
• Custom_Para_Func.py
  Custom parameter/utility functions used by the model and post-processing.
• Reservoir.pbs
  Example PBS job script for HPC execution (edit for your cluster paths/modules/resources).

Inputs

• InputData/Full_8Exps_AddLi_Pore/Bundle_1.csv
  Example “bundle” defining the run configuration and parameter set(s) (single-row CSV in this repository).
• InputData/Expt 2,2 - C-based Degradation 2/
  Experimental extracted data for cells A–F (at 10°C / 25°C / 40°C) plus DMA Output/ used by the post-processing/validation.

Example outputs included

• Full_8Exps_AddLi_Pore_Case_1_1/
  Example outputs corresponding to the default bundle/configuration.
  • Excel/ : summary workbooks
  • Mats/ : intermediate/results files (.mat, .pkl, reload saves)
  • Plots/ : generated PNG diagnostics (LLI/LAM breakdowns, electrolyte fields, half-cell potentials, etc.)

Requirements

• PyBaMM: v22 (22.x)
• Python and packages commonly used by the scripts:
  • numpy, pandas, scipy, matplotlib
  • openpyxl (Excel writing)
  • pyDOE (Latin hypercube sampling utilities used in the pipeline)