Continuum modeling of plasticity, diffusion and chemical reactions in Li-ion batteries
Brassart, Laurence;Zhao, Kejie;Suo, Zhigang
(2013) SES 50th Annual Technical Meeting and ASME-AMD Annual Summer Meeting — Location: Brown University, Providence (RI), USA (28.July.2013)
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Authors
Brassart, LaurenceUCLouvain
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Zhao, KejieMIT
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Suo, ZhigangHarvard University
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Abstract
In the development of the next generation of batteries with high capacity, improving our understanding of the complex interplay between mechanics and chemistry in electrode materials appears as a crucial issue. The lithiation reactions in batteries lead to a variety of mechanical phenomena, such as large deformations, plasticity and fracture. Conversely, mechanics can influence the chemistry of lithiation in a significant manner. Stress affects the kinetics of surface and bulk reactions and the diffusion of lithium within the host. In this work we develop a continuum theory to investigate the strong coupling between mechanics and chemistry in electrode materials. The theory couples mass transport to large, inelastic deformations and is written within a consistent thermodynamic framework. In particular, the model introduces a coupling between the kinetics of plastic flow and that of insertion reaction. The model formulation and parameter identification is supported by ab-initio calculations, as well as experimental measurements on thin film electrodes.
Brassart, L., Zhao, K., & Suo, Z. (2013). Continuum modeling of plasticity, diffusion and chemical reactions in Li-ion batteries. SES 50th Annual Technical Meeting and ASME-AMD Annual Summer Meeting, Brown University, Providence (RI), USA. https://hdl.handle.net/2078.5/66581