A Three-Dimensional, Thermodynamically and Variationally Consistent, Fully Coupled, Electro-Chemo-Thermo-Mechanical Model of Solid-State Batteries.
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| Title: | A Three-Dimensional, Thermodynamically and Variationally Consistent, Fully Coupled, Electro-Chemo-Thermo-Mechanical Model of Solid-State Batteries. |
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| Authors: | Tianchen Hu1 thu@anl.gov, Messner, Mark C.1, Barai, Pallab1, Barua, Bipul1 |
| Source: | Journal of The Electrochemical Society. Dec2023, Vol. 170 Issue 12, p1-19. 21p. |
| Subjects: | Helmholtz free energy, Finite element method, Chemical potential, Variational principles, Helmholtz equation, Storage batteries, Electric vehicle batteries, Solid state batteries |
| Abstract: | We present a theoretical framework for high fidelity modeling of three-dimensional electro-chemo-thermo-mechanical coupled systems such as solid-state batteries. The framework provides a useful means of utilizing molecular level information to predict the overall performance of the system at the continuum level. The central statement of the theoretical framework is a thermodynamically consistent inf-sup problem. The total potential of the coupled system consists of the Helmholtz free energy, the electrical kinetic potential, the chemical potential, the Fourier potential, the chemical reaction potential, and the external power expenditure. All governing equations derive from variational principles. We also show that the resulting initial-boundary-value problem (IBVP) is consistent with existing, widely adopted equations for modeling batteries. Moreover, the IBVP can be naturally discretized using the (variational) finite element method to simulate practical solid-state batteries with arbitrary geometries. Several examples illustrate multiphysics coupling between pairs of the physical field equations, culminating in a comprehensive threedimensional model of charge-discharge in a solid state battery. [ABSTRACT FROM AUTHOR] |
| Copyright of Journal of The Electrochemical Society is the property of IOP Publishing and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
| FullText | Text: Availability: 0 |
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| Header | DbId: egs DbLabel: Engineering Source An: 174146930 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: A Three-Dimensional, Thermodynamically and Variationally Consistent, Fully Coupled, Electro-Chemo-Thermo-Mechanical Model of Solid-State Batteries. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Tianchen+Hu%22">Tianchen Hu</searchLink><relatesTo>1</relatesTo><i> thu@anl.gov</i><br /><searchLink fieldCode="AR" term="%22Messner%2C+Mark+C%2E%22">Messner, Mark C.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Barai%2C+Pallab%22">Barai, Pallab</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Barua%2C+Bipul%22">Barua, Bipul</searchLink><relatesTo>1</relatesTo> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Journal+of+The+Electrochemical+Society%22">Journal of The Electrochemical Society</searchLink>. Dec2023, Vol. 170 Issue 12, p1-19. 21p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Helmholtz+free+energy%22">Helmholtz free energy</searchLink><br /><searchLink fieldCode="DE" term="%22Finite+element+method%22">Finite element method</searchLink><br /><searchLink fieldCode="DE" term="%22Chemical+potential%22">Chemical potential</searchLink><br /><searchLink fieldCode="DE" term="%22Variational+principles%22">Variational principles</searchLink><br /><searchLink fieldCode="DE" term="%22Helmholtz+equation%22">Helmholtz equation</searchLink><br /><searchLink fieldCode="DE" term="%22Storage+batteries%22">Storage batteries</searchLink><br /><searchLink fieldCode="DE" term="%22Electric+vehicle+batteries%22">Electric vehicle batteries</searchLink><br /><searchLink fieldCode="DE" term="%22Solid+state+batteries%22">Solid state batteries</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: We present a theoretical framework for high fidelity modeling of three-dimensional electro-chemo-thermo-mechanical coupled systems such as solid-state batteries. The framework provides a useful means of utilizing molecular level information to predict the overall performance of the system at the continuum level. The central statement of the theoretical framework is a thermodynamically consistent inf-sup problem. The total potential of the coupled system consists of the Helmholtz free energy, the electrical kinetic potential, the chemical potential, the Fourier potential, the chemical reaction potential, and the external power expenditure. All governing equations derive from variational principles. We also show that the resulting initial-boundary-value problem (IBVP) is consistent with existing, widely adopted equations for modeling batteries. Moreover, the IBVP can be naturally discretized using the (variational) finite element method to simulate practical solid-state batteries with arbitrary geometries. Several examples illustrate multiphysics coupling between pairs of the physical field equations, culminating in a comprehensive threedimensional model of charge-discharge in a solid state battery. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Journal of The Electrochemical Society is the property of IOP Publishing and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1149/1945-7111/ad09f5 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 21 StartPage: 1 Subjects: – SubjectFull: Helmholtz free energy Type: general – SubjectFull: Finite element method Type: general – SubjectFull: Chemical potential Type: general – SubjectFull: Variational principles Type: general – SubjectFull: Helmholtz equation Type: general – SubjectFull: Storage batteries Type: general – SubjectFull: Electric vehicle batteries Type: general – SubjectFull: Solid state batteries Type: general Titles: – TitleFull: A Three-Dimensional, Thermodynamically and Variationally Consistent, Fully Coupled, Electro-Chemo-Thermo-Mechanical Model of Solid-State Batteries. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Tianchen Hu – PersonEntity: Name: NameFull: Messner, Mark C. – PersonEntity: Name: NameFull: Barai, Pallab – PersonEntity: Name: NameFull: Barua, Bipul IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 12 Text: Dec2023 Type: published Y: 2023 Identifiers: – Type: issn-print Value: 00134651 Numbering: – Type: volume Value: 170 – Type: issue Value: 12 Titles: – TitleFull: Journal of The Electrochemical Society Type: main |
| ResultId | 1 |
