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Daniel Guggenheim School of Aerospace Engineering

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Author: Afshar, Arman × End date: 2023 × Start date: 2020 × Has files: Yes × search.filters.applied.f.isSeriesOfPublicationTitle: Doctor of Philosophy with a Major in Aerospace Engineering ×

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Aspects of Continuum Chemo-Mechanics Phenomena in Solids: Applications to Energy Storage Materials

2021-05-18 , Afshar, Arman

Mechanics plays a non-negligible role in the multi-physics design and analysis of energy storage devices. Capturing this coupling through theoretical and computational modeling is thus critical for improved design of next generation batteries. In this thesis we present novel chemo-mechanically coupled models for future energy storage devices. The work is divided in two parts, starting with a computational effort for simulation of novel Nano-architected Li-ion batteries where 3D lattice-based electrode structures are shown to be chemo-mechanically superior to conventional electrodes. A fully coupled computational model is developed to solve the diffusion-deformation problem, accounting for finite inelastic deformation and interaction between buckling and plasticity. Second, we turn our attention to the problem of reaction-diffusion-deformation which has applications in solid state electrolytes and conversion type electrodes. We present a thermodynamically consistent finite strain theory for a class of problems in solids mechanics that involves transport of species into a host material, followed by structural phase change associated with reaction of the species with the host, deformation and stress. Equally significant in the theory are mechanical and deformation aspects resulting from the diffusion-reaction phenomenon, and how mechanics affects these processes. While the thermodynamically consistent framework is quite general, we apply it to conversion type electrodes as these materials are demonstrated to have much higher capacity compared to typical intercalation cathodes. We implement our formulation in a three-dimensional finite element model, showing how stress affects reaction kinetics. Finally, we extend the application of the theory to modeling electrodeposition at interfaces between solid state electrolytes and lithium metal anodes, shedding light on the phenomenon of dendrite propagation in all-solid-state energy storage devices.

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