Dendrite formation in rechargeable lithium-metal batteries: Phase-field modeling using open-source finite element library. (September 2022)

• Record Type: Journal Article
• Authors: Arguello, Marcos E.; Labanda, Nicolás A.; Calo, Victor M.; Gumulya, Monica; Utikar, Ranjeet; Derksen, Jos
• Is Part Of: Journal of energy storage. Volume 53(2022)
• Publication Date: 2022-09
• Subjects: Phase-field modeling -- Electrodeposition -- Lithium dendrite -- Metal-anode battery -- Finite element method; Energy storage -- Periodicals; Energy storage -- Research -- Periodicals; 621.3126
• DOI: 10.1016/j.est.2022.104892
• Languages: English
• ISSNs: 2352-152X

Abstract

Abstract: We describe a phase-field model for the electrodeposition process that forms dendrites within metal-anode batteries. We derive the free energy functional model, arriving at a system of partial differential equations that describe the evolution of a phase field, the lithium-ion concentration, and an electric potential. We formulate, discretize, and solve the set of partial differential equations describing the coupled electrochemical interactions during a battery charge cycle using an open-source finite element library. The open-source library allows us to use parallel solvers and time-marching adaptivity. We describe two- and three-dimensional simulations; these simulations agree with experimentally-observed dendrite growth rates and morphologies reported in the literature. Highlights: Phase-field simulations of dendrite formation in lithium metal batteries Realization of 2D and 3D simulations with reasonable computational cost Time-adaptive strategy produces energy stable results. Simulations' consistency with experimental results reported in the literature Analysis of 3D spike-like, symmetric, and highly-branched dendritic patterns