ECCOMAS 2024

Variationally consistent computational homogenization of coupled transport processes in nano-porous electrode materials

  • Rollin, David (Technische Universität Braunschweig)
  • Larsson, Fredrik (Chalmers University of Technology)
  • Runesson, Kenneth (Chalmers University of Technology)
  • Ekre, Fredrik (Technische Universität Braunschweig)
  • Jänicke, Ralf (Technische Universität Braunschweig)

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A common type of battery electrode material is a three-phase composite material consisting of particles embedded in a binder matrix with a pore system filled with a liquid electrolyte. Typically, the particles serve as storage material, the binder matrix as electron conductor and the electrolyte as ion conductor. Hence, different transport processes in different phases are of interest. However, also the deformation of battery components will play an important role [1]. This is especially the case for structural batteries, which are designed to bear mechanical loads in addition to their functionality as battery. To investigate the electro-chemo-mechanical processes across the scales, a multi-scale model is being developed using the concept of variationally consistent homogenization. On the sub-scale, a linearized model is considered, taking into account the different transport processes, elastic deformation and reaction kinetics on the particle-electrolyte-interface. Currently, we focus on an appropriate description of diffusive transport of the active species inside the particle-electrolyte system. In particular, we investigate how the discontinuity of the particle phase can be taken into account throughout the homogenization approach. The overall goal is to derive a large-scale model for which effective properties are computed from a sub-scale Representative Volume Element (RVE). For the RVE problem, micro-stationarity is assumed [2]. Due to the model’s linearity, effective properties can then be computed via direct upscaling of sensitivities. [1] D. Carlstedt, K. Runesson, F. Larsson, V. Tu, R. Jänicke and L.E. Asp, Computational modelling of structural batteries accounting for stress-assisted convection in the electrolyte. Int. J. Solids Struct., Vol. 238, 111343, 2022. [2] V. Tu, F. Larsson, K. Runesson and R. Jänicke, Variationally consistent homogenization of electrochemical ion transport in a porous structural battery electrolyte. Eur. J. Mech. A Solids, Vol. 98, 104901, 2023.