journal article·2024-04-01Open access

The role of chemo-mechanical modelling in the development of battery technology—a perspective

Adam M Boyce, Emilio Martínez-Pañeda, Paul R Shearing

Journal of Physics: Energy· Volume 6· Issue 2

Abstract

Abstract In the race to reduce global CO2 emissions and achieve net-zero, chemomechanics must play a critical role in the technological development of current and next-generation batteries to improve their energy storage capabilities and their lifetime. Many degradation processes arise through mechanics via the development of diffusion-induced stress and volumetric strains within the various constituent materials in a battery. From particle cracking in lithium-ion batteries to lithium dendrite-based fracture of solid electrolytes in solid-state batteries, it is clear that significant barriers exist in the development of these energy storage systems, where chemomechanics plays a central part. To accelerate technological and scientific advances in this area, multi-scale and highly coupled multiphysics modelling must be carried out that includes mechanics-based phenomena. In this perspective article, we provide an introduction to chemomechanical modelling, the various physical problems that it addresses, and the issues that need to be resolved in order to expand its use within the field of battery technology.
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Research context

OpenAlex topics: Advancements in Battery Materials · Advanced Battery Materials and Technologies · Advanced Battery Technologies Research

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References (38)

Show source-provided references
1. An assessment of a mechanism for void growth in Li anodes10.1016/j.eml.2021.101307 ↗
2. The initiation of void growth during stripping of Li electrodes in solid electrolyte cells10.1016/j.jpowsour.2020.229437 ↗
3. A phase field electro-chemo-mechanical formulation for predicting void evolution at the Li–electrolyte interface in all-solid-state batteries10.1016/j.jmps.2022.104999 ↗
4. Dendrite formation in rechargeable lithium-metal batteries: phase-field modeling using open-source finite element library10.1016/j.est.2022.104892 ↗
5. Models for the interplay of mechanics, electrochemistry, thermodynamics and kinetics in lithium-ion batteries10.1115/1.4056289 ↗
6. A review on modeling of electro-chemo-mechanics in lithium-ion batteries10.1016/j.jpowsour.2018.12.011 ↗
7. A Cahn–Hilliard-type theory for species diffusion coupled with large elastic–plastic deformations10.1016/j.jmps.2012.08.001 ↗
8. The promise of alloy anodes for solid-state batteries10.1016/j.joule.2022.05.016 ↗
9. Advanced anode materials for rechargeable sodium-ion batteries10.1021/acsnano.3c02892 ↗
10. Silicon-based solid-state batteries: electrochemistry and mechanics to guide design and operation10.1021/acsami.3c06615 ↗
11. A large deformation elastic-viscoplastic model for lithium10.1016/j.eml.2018.08.006 ↗
12. Diffusion–deformation theory for amorphous silicon anodes: the role of plastic deformation on electrochemical performance10.1016/j.ijsolstr.2015.04.028 ↗
13. A Cahn–Hilliard-type phase-field theory for species diffusion coupled with large elastic deformations: application to phase-separating Li-ion electrode materials10.1016/j.jmps.2014.05.001 ↗
14. Heterogeneous damage in Li-ion batteries: experimental analysis and theoretical modeling10.1016/j.jmps.2019.05.003 ↗
15. Effect of lithiation upon the shear strength of NMC811 single crystals10.1149/1945-7111/ac6244 ↗
16. Challenges in speeding up solid-state battery development10.1038/s41560-023-01208-9 ↗
17. Designing cathodes and cathode active materials for solid‐state batteries10.1002/aenm.202201425 ↗
18. Review on the numerical modeling of fracture in active materials for lithium ion batteries10.1016/j.jpowsour.2023.232875 ↗
19. Evolution of structure and lithium dynamics in LiNi0.8Mn0.1Co0.1O2 (NMC811) cathodes during electrochemical cycling10.1021/acs.chemmater.9b00140 ↗
20. Crack growth and fracture toughness of amorphous Li-Si anodes: mechanisms and role of charging/discharging studied by atomistic simulations10.1016/j.jmps.2017.06.010 ↗
21. Cracking predictions of lithium-ion battery electrodes by x-ray computed tomography and modelling10.1016/j.jpowsour.2022.231119 ↗
22. Mechanism of inhomogeneous deformation and equal-stiffness design of large-format prismatic lithium-ion batteries10.1016/j.apenergy.2022.120494 ↗
23. Electro-chemo-mechanical finite-element model of single-crystal and polycrystalline NMC cathode particles embedded in an argyrodite solid electrolyte10.1016/j.electacta.2023.142585 ↗
24. The diffusion induced stress and cracking behaviour of primary particle for Li-ion battery electrode10.1016/j.ijmecsci.2020.105608 ↗
25. Fracture analysis of the cathode in Li-ion batteries: a simulation study10.1149/2.045204jes ↗
26. Modeling crack growth during Li extraction in storage particles using a fracture phase field approach10.1149/2.0281602jes ↗
27. Modeling crack growth during Li insertion in storage particles using a fracture phase field approach10.1016/j.jmps.2016.04.004 ↗
28. Chemo-mechanical modeling of inter- and intra-granular fracture in heterogeneous cathode with polycrystalline particles for lithium-ion battery10.1016/j.jmps.2022.104839 ↗
29. Mechanical properties of cathode materials for lithium-ion batteries10.1016/j.joule.2022.04.001 ↗
30. Phase field modeling of electrochemically induced fracture in Li‐ion battery with large deformation and phase segregation10.1002/gamm.201610006 ↗
31. A continuum of physics-based lithium-ion battery models reviewed10.1088/2516-1083/ac7d31 ↗
32. A phase‐field model for chemo‐mechanical induced fracture in lithium‐ion battery electrode particles10.1002/nme.5133 ↗
33. Multiphysics phase-field modeling of quasi-static cracking in urania ceramic nuclear fuel10.1016/j.ceramint.2020.08.191 ↗
34. Phase field modeling of chemomechanical fracture of intercalation electrodes: role of charging rate and dimensionality10.1016/j.jmps.2019.103696 ↗
35. Quantifying the influence of charge rate and cathode-particle architectures on degradation of Li-ion cells through 3D continuum-level damage models10.1016/j.jpowsour.2021.230415 ↗
36. A coupled phase field formulation for modelling fatigue cracking in lithium-ion battery electrode particles10.1016/j.jpowsour.2022.231805 ↗
37. Electrode mesoscale as a collection of particles: coupled electrochemical and mechanical analysis of NMC cathodes10.1149/1945-7111/ab632b ↗
38. A chemo-mechanical grain boundary model and its application to understand the damage of Li-ion battery materials10.1016/j.scriptamat.2020.03.027 ↗