Search Menu
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scholarly Publications

Title: A Three-Dimensional, Thermodynamically and Variationally Consistent, Fully Coupled, Electro-Chemo-Thermo-Mechanical Model of Solid-State Batteries

Journal Article · · Journal of the Electrochemical Society
ORCiD logo [1];  [1]; ORCiD logo [1];  [1]
  1. Argonne National Laboratory (ANL), Argonne, IL (United States)
+ Show Author Affiliations

Here 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 three-dimensional model of charge-discharge in a solid state battery.

Research Organization:
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Organization:
USDOE
Grant/Contract Number:
AC02-06CH11357
OSTI ID:
2441296
Journal Information:
Journal of the Electrochemical Society, Journal Name: Journal of the Electrochemical Society Journal Issue: 12 Vol. 170; ISSN 0013-4651
Publisher:
IOP PublishingCopyright Statement
Country of Publication:
United States
Language:
English

References (50)

Digital Printing of Solid‐State Lithium‐Ion Batteries journal October 2019
Unlocking the Electrochemical–Mechanical Coupling Behaviors of Dendrite Growth and Crack Propagation in All‐Solid‐State Batteries journal August 2021
A new unconditionally stable fractional step method for non-linear coupled thermomechanical problems journal September 1992
On a principle of virtual work for thermo-elastic bodies journal April 1989
Global viscoelastic behavior of heterogeneous thermoelastic materials journal January 1987
Associative coupled thermoplasticity at finite strains: Formulation, numerical analysis and implementation journal July 1992
A priori stability estimates and unconditionally stable product formula algorithms for nonlinear coupled thermoplasticity journal January 1993
The Maxwell-Stefan approach to mass transfer journal March 1997
Polyconvexity of generalized polynomial-type hyperelastic strain energy functions for near-incompressibility journal June 2003
A gradient theory of single-crystal viscoplasticity that accounts for geometrically necessary dislocations journal January 2002
The inf–sup condition and its evaluation for mixed finite element methods journal January 2001
Formulation of the coupled electrochemical–mechanical boundary-value problem, with applications to transport of multiple charged species journal February 2016
Concept of reliability and safety assessment of lithium-ion batteries in electric vehicles: Basics, progress, and challenges journal October 2019
Coupled electrochemical and thermal battery models for thermal management of prismatic automotive cells journal March 2018
Attaining regularization length insensitivity in phase-field models of ductile failure journal October 2021
Electro-chemo-mechanical modeling of solid-state batteries journal January 2020
The Butler-Volmer equation in electrochemical theory: Origins, value, and practical application journal September 2020
A variational formulation of the coupled thermo-mechanical boundary-value problem for general dissipative solids journal February 2006
A finite deformation stress-dependent chemical potential and its applications to lithium ion batteries journal July 2012
A finite strain electro-chemo-mechanical theory for ion transport with application to binary solid electrolytes journal April 2019
Transitioning solid-state batteries from lab to market: Linking electro-chemo-mechanics with practical considerations journal June 2021
Ceramic and polymeric solid electrolytes for lithium-ion batteries journal August 2010
A review on modeling of electro-chemo-mechanics in lithium-ion batteries journal February 2019
Interactions are important: Linking multi-physics mechanisms to the performance and degradation of solid-state batteries journal October 2021
Chemo-Mechanical Challenges in Solid-State Batteries journal December 2019
Anisotropic Ion Diffusion and Electrochemically Driven Transport in Nanostructured Block Copolymer Electrolytes journal January 2018
Non-Faradaic Li + Migration and Chemical Coordination across Solid-State Battery Interfaces journal October 2017
Challenges for and Pathways toward Li-Metal-Based All-Solid-State Batteries journal March 2021
Improved energy estimates for interior penalty, constrained and discontinuous Galerkin methods for elliptic problems. Part I journal January 1999
Nonlinear Solid Mechanics: A Continuum Approach for Engineering Science journal July 2002
Surface enrichment and diffusion enabling gradient-doping and coating of Ni-rich cathode toward Li-ion batteries journal July 2021
Modeling of electrochemical double layers in thermodynamic non-equilibrium journal January 2015
Compatibility issues between electrodes and electrolytes in solid-state batteries journal January 2017
Thermally driven mesoscale chemomechanical interplay in Li 0.5 Ni 0.6 Mn 0.2 Co 0.2 O 2 cathode materials journal January 2018
Thermoelasticity and Irreversible Thermodynamics journal March 1956
Role of material properties and mechanical constraint on stress-assisted diffusion in plate electrodes of lithium ion batteries journal February 2013
On variational principles in thermoelasticity and heat conduction journal January 1963
A Review of Material Frame-Indifference in Mechanics journal August 1998
On a Variational Theorem in Coupled Thermoelasticity journal December 1965
Unified Hybridization of Discontinuous Galerkin, Mixed, and Continuous Galerkin Methods for Second Order Elliptic Problems journal January 2009
Comparison of Modeling Predictions with Experimental Data from Plastic Lithium Ion Cells journal January 1996
The Measurement of a Complete Set of Transport Properties for a Concentrated Solid Polymer Electrolyte Solution journal January 1995
Modeling the Performance of Lithium-Ion Batteries and Capacitors during Hybrid-Electric-Vehicle Operation journal January 2008
Evaluation of The Electrochemo-Mechanically Induced Stress in All-Solid-State Li-Ion Batteries journal May 2020
An Electro-chemo-thermo-mechanical Coupled Three-dimensional Computational Framework for Lithium-ion Batteries journal December 2020
Pseudo 3D Modeling and Analysis of the SEI Growth Distribution in Large Format Li-Ion Polymer Pouch Cells journal November 2012
Negative Transference Numbers in Poly(ethylene oxide)-Based Electrolytes journal January 2017
Numerical Modeling of Damage Evolution Phenomenon in Solid-State Lithium-Ion Batteries journal January 2017
Newman and Balsara on Electrochemical Systems Fourth Edition journal March 2021
Fundamentals of Electrolytes for Solid-State Batteries: Challenges and Perspectives journal July 2020

Similar Records

Related Subjects

25 ENERGY STORAGE
model-based simulation
multiphysics
solid-state battery