High-Performance Computing in Battery Development: From Pore Scale to Continuum

An application for high-performance computing (HPC) is shown that is relevant in the field of battery development. Simulations of electrolyte wetting and flow are conducted using pore network models (PNM) and the lattice Boltzmann method (LBM), while electrochemical simulations are conducted using the tool BEST. All aforementioned software packages show an appropriate scaling behavior. A workflow for optimizing battery performance by improving the filling of battery components is presented. A special focus is given to the unwanted side effect of gas entrapment encountered during filling. It is also known to adversely affect the electrochemical performance of batteries and can be partially prevented by appropriate microstructure design such as electrode perforation.