Carl Larsson, Fredrik Larsson, Johanna Xu, Kenneth Runesson, Leif E. Asp
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Electro-chemo-mechanical modelling of structural battery composite full cells
Structural battery composites are multifunctional materials capable of storing electrochemical energy and carry mechanical load at the same time. In this study, we focus on the laminated structural battery design developed by Asp and co-workers, which utilises multifunctional carbon fibres as both active material and mechanical reinforcement in the negative electrode. The positive electrode consists of active lithium iron phosphate particles adhered to an aluminium foil. Building upon previous research, we develop a fully coupled numerical multiphysics model to simulate the charge–discharge processes of the structural battery full cell. The model includes non-linear reaction kinetics, pertinent to the Butler–Volmer relation. Furthermore, we employ a simplified continuum representation of the porous positive electrode, enabling simulations at the battery cell level. Available experimental data for material parameters is utilised when possible, while the remaining parameters are obtained from calibration against experimental charge–discharge voltage profiles at two different rates. Results show that the presented model captures the general trend of the experimental voltage profiles for a range of charge rates. Through this work, we aim to provide insights for future structural battery design efforts.
期刊介绍:
npj Computational Materials is a high-quality open access journal from Nature Research that publishes research papers applying computational approaches for the design of new materials and enhancing our understanding of existing ones. The journal also welcomes papers on new computational techniques and the refinement of current approaches that support these aims, as well as experimental papers that complement computational findings.
Some key features of npj Computational Materials include a 2-year impact factor of 12.241 (2021), article downloads of 1,138,590 (2021), and a fast turnaround time of 11 days from submission to the first editorial decision. The journal is indexed in various databases and services, including Chemical Abstracts Service (ACS), Astrophysics Data System (ADS), Current Contents/Physical, Chemical and Earth Sciences, Journal Citation Reports/Science Edition, SCOPUS, EI Compendex, INSPEC, Google Scholar, SCImago, DOAJ, CNKI, and Science Citation Index Expanded (SCIE), among others.