LIM1TR: Lithium-Ion Modeling with 1-D Thermal Runaway

LIM1TR is a control volume code with 1D heat transport and reaction kinetics for modeling thermal runaway in Li-ion batteries.

Setup

Install the following requirements, preferably in a fresh environment. Begin with installing Spitfire following the documentation.

• Python >= 3.7
• Spitfire
  • compilers
  • setuptools
  • numpy
  • scipy
  • matplotlib
  • Cython
  • sphinx
  • numpydoc
  • gitpython
  • cantera
• pandas
• pyyaml

After installing the required packages, build the tridiagonal matrix algorithm from the main LIM1TR directory with:

$ python setup.py build_ext --inplace

To Run

$ python main_fv.py input_file_name.yaml

Setting up an alias for python main_fv.py is recommended.

Output

Output is saved in the current working directory as a pickle file containing a list of the following objects:

• Dictionary of the .yaml input file
• Dictionary of the state variables at each control volume and simulation time
  • "Time": simulation time (1D array)
  • "Grid": location of the center of each control volume (1D array)
  • "Layer Map": a map of the first and last control volume indies in each layer (dictionary)
  • "Temperature": temperature (2D array)
  • "Interface Temperature": temperature at each material interface (2D array)
  • Species mass concentration indexed by user-defined species names, if present (2D array)
• Dictionary of the rate of change of state variables with respect to time at each control volume and simulation time
  • "Time": simulation time (1D array)
  • "HRR": volumetric heat release rate from chemical reactions (2D array)
  • Species mass concentration rate indexed by user-defined species names, if present (2D array)

User Guide

The user guide for version 1.0 can be found at https://www.sandia.gov/ess-ssl/wp-content/uploads/2021/10/LIM1TR_Guide_SAND2021-12281.pdf