Multi-Scale Modelling

Bringing together a world-leading, multidisciplinary team to develop fast, highly accurate models, advancing the development of digital twins to speed up battery development and ensure safe operation for longer battery life.

Accurate simulations of batteries will enable battery makers to improve designs and performance without creating expensive prototypes to test every new material, or new type or configuration of cells. The project considers a range of length scales, from the nanoscale – where atoms interact – up to the macroscale of a complete pack and its electronic control systems. A range of timescales are also considered from the movements of atoms at the nanosecond, through to long-term degradation occurring over years. Battery simulations and design tools exist at each length and timescale, but they have previously lacked the accuracy required for understanding the phenomena occurring within batteries.

The project’s world-leading research bridges science and engineering, working innovatively alongside UK industry to deliver impact. Its internationally recognised experts are developing new digital and experimental techniques for understanding battery behaviour at the atomistic, continuum and system scales. Fast, accurate models, incorporating the most complete physics and advanced mathematical techniques, are being developed to be directly usable for industry, enabling digital twinning of whole cells and packs. Atomistic accuracy will parameterise higher level models and tackle key challenges, such as the complex interactions and activity at the electrolyte-electrode interface. Rapid experimental parameterisation methods are being developed, greatly reducing the time and cost of customising models for specific applications.