Phase-field modeling of planar interface electrodeposition in lithium-metal batteries. (June 2022)

• Record Type: Journal Article
• Authors: Arguello, Marcos Exequiel; Gumulya, Monica; Derksen, Jos; Utikar, Ranjeet; Calo, Victor Manuel
• Is Part Of: Journal of energy storage. Volume 50(2022)
• Publication Date: 2022-06
• Subjects: Phase-field modeling -- Electrodeposition -- Li-metal battery -- Finite element method -- Interface thickness; Energy storage -- Periodicals; Energy storage -- Research -- Periodicals; 621.3126
• DOI: 10.1016/j.est.2022.104627
• Languages: English
• ISSNs: 2352-152X

Abstract

Abstract: This paper presents a detailed description of phase-field models of electrodeposition in lithium-anode batteries, along with underlying assumptions and parameters commonly employed. We simulate the coupled electrochemical interactions during a battery charge cycle using finite elements on open-source packages, allowing for parallel computation and time step adaptivity. We compare conventional free energy and grand canonical formulations. We obtain agreement between 1D phase-field simulations and the theoretical Faradic reaction kinetics. We study the mesh-induced errors through spatial convergence analysis. These simulations results set the groundwork for 2D and 3D simulations of dendritic metal electrodeposition in batteries. Highlights: Planar electrode phase-field simulations in lithium metal batteries. Model verified by quantitative agreement with theoretical reaction kinetics. Free energy formulation is favoured over grand canonical formulation. Smaller phase-field interface thicknesses to capture faster electrodeposition rates.