Battery Design and Manufacturing Optimization through Multiphysics Modeling

Completed research project

E-mobility was gaining momentum at the cell level. Modeling of battery materials, the manufacturing process, and cell behavior provided new insights.

Project description

The European research project DEFACTO set new standards in cell production for electric vehicles. The development of innovative multiphysical and multiscale modeling tools significantly improved understanding of material behavior and manufacturing processes of battery cells. This groundbreaking approach optimized research and development work in the field of battery cells.
The application of this high-precision modeling tool enabled faster and more efficient development of new cell technologies. The insights gained helped to optimize cell design in a targeted manner, improved the functionality of battery cells, and thus strengthened the long-term competitiveness of European industry in the global market.
The project pursued several key objectives aimed at maximizing the efficiency and sustainability of battery cell development and production:

  • Maximizing modeling accuracy while keeping computing costs reasonable
  • Reducing development time and costs for new battery cells
  • Minimizing experimental effort in optimizing cell design and cell manufacturing
  • Reducing research and development costs in the field of battery production
  • Increasing battery life through optimized designs
  • Reducing the environmental impact associated with battery production

Fraunhofer IWM subproject:

  • Atomistic simulation of the charging behavior of silicon anodes with lithium.
  • Calculation of mechanical properties (volume change, compression and elasticity modulus) as a function of the state of charge
  • Calculation of electrochemical properties (electrochemical potential) as a function of the state of charge
  • Calculation of the influence of external mechanical stress caused by the large volume expansion of silicon in simultaneous interaction with the surrounding microstructure
  • Treatment of crystalline and amorphous lithium-silicon compounds
  • Transfer of calculated data to project partner (Fraunhofer ITWM) for parameterization of battery simulation models on a microstructure scale and cell scale

Transfer of project results to the following Fraunhofer IWM R&D services for companies:

  • Determination of the effects of mechanical stress on electrochemical materials behavior
  • Modularly expandable workflow, applicable to any electrode materials and loading scenarios
  • Support for software development for realistic simulation of battery cell behavior
  • Development of novel electrode materials and concepts
  • Competence building in the physical understanding, modeling, and simulation of atomic processes in the battery sector

Funding information