Electro-chemo-mechanically coupled computational modelling of structural batteries

Abstract

Structural batteries are multifunctional composites that combine load-bearing capacity with electro-chemical energy storage capability. The laminated architecture is considered in this paper, whereby restriction is made to a so called half-cell in order to focus on the main characteristics and provide a computational tool for future parameter studies. A thermodynamically consistent modelling approach is exploited for the relevant electro-chemo-mechanical system. We consider effects of lithium insertion in the carbon fibres, leading to insertion strains, while assuming transverse isotropy. Further, stress-assisted ionic transport is accounted for in addition to standard diffusion and migration. The relevant space-variational problems that result from time discretisation are established and evaluated in some detail. The proposed model framework is applied to a generic/idealized material representation to demonstrate its functionality and the importance of accounting for the electro-chemo-mechanical coupling effects. As a proof of concept, the numerical studies reveal that it is vital to account for two-way coupling in order to predict the multifunctional (i.e. combined electro-chemo-mechanical) performance of structural batteries.

Reversible Electrochemical Charging of n-Type Conjugated Polymer Electrodes in Aqueous Electrolytes

“…We refer to this concept as electrochemical stability. 14 In general, capacity decline during cycling may result from several mechanisms, namely, irreversible degradation of the electrode through chemical changes, 15 parasitic side reactions that reduce the faradaic efficiency of the charge/discharge process, 16 and mechanical degradation that reduces the ability of the electrode to incorporate electronic and ionic charges through changes in its microstructure or adhesion properties. 17 Identifying which of the above-mentioned mechanisms dominate the degradation behavior is important, in particular for identifying strategies to improve utilization and cycle life.…”

Structural Batteries: A Review

“…More recently, inspired by the vast amount of work on traditional lithium-ion batteries [ 106 ], a thermodynamically consistent framework for investigating electro-chemo-mechanical-coupled models of laminated structural batteries was presented by Carlstedt et al [ 107 ]. The model was applied in the study of a negative half-cell with a lithium metal counter electrode, as experimentally investigated by other authors [ 18 , 19 , 85 ], while the separator was excluded for simplicity.…”

Growth Mechanism of Micro/Nano Metal Dendrites and Cumulative Strategies for Countering Its Impacts in Metal Ion Batteries: A Review

“…Considering all the aspects of excellent electrode materials, such as affordability, security, space, distribution kinetics, endurance, and relevant components, it is challenging to explore such materials due to the stringent laboratory requirements. On the contrary, the computational simulations could be performing depending on the use of ab initio estimates on substances by adopting fewer electrochemical parameters to fix the lattice mismatch and crystal orientation problems in order to address the concerns discussed so far [491,[495][496][497]. Moreover, we are in the preliminary phase of analyzing next-generation storage devices; therefore, the implementation of a secure database in order to devise guidelines for facilitating an expert search for battery materials is imperative.…”