G6 Sodium-ion Batteries

Sodium-ion Batteries

Developing accurate physics-based models for a promising low-cost alternative to lithium-ion technology.

Sodium-ion batteries are a promising, low-cost alternative to lithium-ion technology, but the complex mechanisms governing sodium-ion transport and storage are not fully captured by existing simulation tools.

This work package presents research on sodium-ion battery parameterisation and physics-based electrochemical modelling, with a focus on developing continuum-scale models of how sodium moves through and is stored within battery electrodes.

The work captures the distinctive storage behaviour of key electrode materials such as hard carbon and layered oxides, while integrating experimentally derived parameters into validated predictive frameworks.

By providing methodologies, experimentally derived parameterisation datasets, and modelling resources, the platform supports reproducible research and advances the development of accurate electrochemical models for sodium-ion batteries, benefiting researchers, engineers, and students.

Sodium Transport Continuum-scale models of sodium movement and storage.
Hard Carbon Capturing complex sodium storage mechanisms.
Layered Oxides Physics-based modelling of emerging electrode materials.
Sodium-ion battery modelling and electrode structure
G7 Li-metal, Solid-state & Anode-free

Li-metal, Solid-state & Anode-free

Multi-scale models for lithium-metal interfaces, solid-state electrolytes and next-generation cell architectures.

Develop multi-scale models for mechanistic understanding of lithium metal anode and electrolyte interface. Integrate electrochemical and mechanical models to capture SEI evolution, lithium transport, dendrite formation, and interfacial degradation.

Advance these approaches to solid-state electrolyte systems using physics-based modelling to improve safety, performance, and cycle life.

Li-metal Interfaces Multi-scale modelling of lithium metal deposition, stripping, and interface evolution.
Solid-state Electrolytes Modelling ionic transport, mechanical behaviour, and interface stability.
SEI & Dendrites Investigation of SEI formation, composition and evolution, alongside dendrite initiation and propagation.
Parameterisation & Validation Electrochemical, transport and interfacial properties validated against experimental datasets.
Lithium-metal and solid-state battery research
Multi-scale interface and dendrite modelling
G8 Phase-Change Materials

Phase-Change Materials

Next-generation mathematical models for electrode materials undergoing major structural and chemical changes.

Work package 8 is developing and validating new mathematical models for lithium-ion battery electrode materials that undergo significant structural and/or chemical changes during operation.

These materials, including lithium iron phosphate (LFP), lithium manganese iron phosphate (LMFP) and silicon, each present unique modelling challenges that cannot be met by the ubiquitous Doyle-Fuller-Newman (DFN) model.

By combining physics-based modelling with experimental validation, the team is developing next-generation models that capture the underlying physical processes more faithfully than conventional approaches.

These models improve our understanding of phase-changing electrode materials and provide a stronger foundation for the design and development of future battery technologies.

LFP Modelling phase-changing lithium iron phosphate electrodes.
LMFP Capturing structural and chemical changes in advanced phosphate materials.
Silicon Next-generation modelling of strongly changing electrode materials.
Phase-changing battery electrode materials