On computational modeling of multi-physics interphases with application to positive electrode material in structural batteries

The project concerns the computational modeling of a class of carbon fiber composites, known as structural battery composites.

Electrical energy storage is achieved by lithium-ion insertion/desertion into the carbon fiber anode and the lithium iron phosphate (LFP) coating on carbon fiber cathode, respectively. The fibers have additional functionality as reinforcement and current collectors.

Thus, the structural battery is achieved by the interplay between electrochemistry and mechanics in the material.The LFP coating interphase, in which the coupled electro-chemo-mechanical processes occur, is thin. It is porous and also contains conductive materials, such as carbon black and graphene oxide, and a polymer binder.

It is further impregnated by the porous structural electrolyte to ensure ion transport and mechanical load transfer in the structural battery composite.

The main purpose of the project is to advance the predictive capabilities related to the cathode coated carbon fiber electrode in structural batteries.

The following major tasks will be targeted:(i) Development of an accurate and efficient numerical framework for computational upscaling of thin electro-chemo-mechanical interphases.(ii) Establishment of a full-cell electro-chemo-mechanical model of the proposed all-fiber structural battery.Reaching these aims will allow for future optimization of structural batteries with respect to the combined load bearing and energy storing performance.