Thermal runaway simulation with Femocs code and Poisson solver

From Intelligent Materials and Systems Lab

Repeat thermal runaway simulation with Femocs code and Poisson solver as conducted in our recent article (http://iopscience.iop.org/article/10.1088/1361-6463/aac03b/meta) to figure out several key problems that were unanswered in initial work:

  • implement a hack to figure out whether runaway is single or continuous process. Possible strategies include using stepvise larger MD simulations
  • verify charges with DFT