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

Marcos E. Arguello; Nicolás A. Labanda; Victor Manuel Calo; Monica Gumulya; Ranjeet Utikar; Jos Derksen

doi:10.1016/j.est.2022.104892

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

Marcos E. Arguello^* (Corresponding Author), Nicolás A. Labanda, Victor Manuel Calo, Monica Gumulya, Ranjeet Utikar, Jos Derksen

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

7 Citations (Scopus)

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.

Original language	English
Article number	104892
Number of pages	21
Journal	Journal of Energy Storage
Volume	53
Early online date	22 Jun 2022
DOIs	https://doi.org/10.1016/j.est.2022.104892
Publication status	Published - 1 Sept 2022

Bibliographical note

Acknowledgments
This work was supported by the Aberdeen-Curtin Alliance Scholarship. This publication was also made possible in part by the Professorial Chair in Computational Geoscience at Curtin University. This project has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No 777778 (MATHROCKS). The Curtin Corrosion Centre and the Curtin Institute for Computation kindly provide ongoing support.

Keywords

Phase-field modeling
Electrodeposition
Lithium dendrite
Metal-anode battery
Finite element method

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Cite this

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title = "Dendrite formation in rechargeable lithium-metal batteries: Phase-field modeling using open-source finite element library.",

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.",

keywords = "Phase-field modeling, Electrodeposition, Lithium dendrite, Metal-anode battery, Finite element method",

author = "Arguello, {Marcos E.} and Labanda, {Nicol{\'a}s A.} and Calo, {Victor Manuel} and Monica Gumulya and Ranjeet Utikar and Jos Derksen",

note = "Acknowledgments This work was supported by the Aberdeen-Curtin Alliance Scholarship. This publication was also made possible in part by the Professorial Chair in Computational Geoscience at Curtin University. This project has received funding from the European Union{\textquoteright}s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No 777778 (MATHROCKS). The Curtin Corrosion Centre and the Curtin Institute for Computation kindly provide ongoing support.",

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AU - Calo, Victor Manuel

AU - Gumulya, Monica

AU - Utikar, Ranjeet

AU - Derksen, Jos

N1 - Acknowledgments This work was supported by the Aberdeen-Curtin Alliance Scholarship. This publication was also made possible in part by the Professorial Chair in Computational Geoscience at Curtin University. This project has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No 777778 (MATHROCKS). The Curtin Corrosion Centre and the Curtin Institute for Computation kindly provide ongoing support.

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N2 - 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.

AB - 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.

KW - Phase-field modeling

KW - Electrodeposition

KW - Lithium dendrite

KW - Metal-anode battery

KW - Finite element method

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DO - 10.1016/j.est.2022.104892

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M1 - 104892

ER -

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

Abstract

Bibliographical note

Keywords

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