The Library
Microscale diffusion-mechanics model for a polymer-based solid-state battery cathode
Tools
Sultanova, Leyla and Figiel, Lukasz (2021) Microscale diffusion-mechanics model for a polymer-based solid-state battery cathode. Computational Materials Science, 186 . 109990. doi:10.1016/j.commatsci.2020.109990 ISSN 0927-0256.
|
PDF
WRAP-microscale-diffusion-mechanics-model-polymer-based-solid-state battery-cathode-Figiel-2020.pdf - Published Version - Requires a PDF viewer. Available under License Creative Commons Attribution Non-commercial No Derivatives 4.0. Download (3032Kb) | Preview |
Official URL: https://doi.org/10.1016/j.commatsci.2020.109990
Abstract
A non-linear microscale diffusion-mechanics model combining mass transport and linear momentum balance equations, with elasto-viscoplastic polymer constitutive law and interfacial traction-separation law is proposed to provide a new insight into the effects of viscoplasticity and interfacial damage on the in situ diffusive-mechanical behaviour of a polymer-based cathode for a solid-state battery (SSB). Diffusion and mechanics are coupled through two mechanisms: (1) active particle (AP) volumetric change dependence on Li concentration, and (2) interfacial flux dependence on mechanical opening. The model is resolved for a simple cathode microstructure using an axisymmetric unit cell concept, and integrated with the non-linear finite-element solver ABAQUS with the help of its user subroutines (UMAT and UINTER). Finite-element simulations reveal that plastic deformations of the polymer due to volumetric changes of the AP reduce the value of the interfacial opening displacement, which is desirable for maintaining interfacial flux. The results also demonstrate that slower battery charging rates may lead to a softer polymer response, and thus a smaller interfacial gap. Moreover, a comparison between the linear elastic and current elasto-viscoplastic models for the polymer electrolyte shows that even 5% volumetric shrinkage of the AP leads to an overprediction of the interfacial opening with the linear elastic material law, which limits its validity in modelling polymer-based SSBs.
Item Type: | Journal Article | ||||||||
---|---|---|---|---|---|---|---|---|---|
Subjects: | T Technology > TJ Mechanical engineering and machinery | ||||||||
Divisions: | Faculty of Science, Engineering and Medicine > Engineering > WMG (Formerly the Warwick Manufacturing Group) | ||||||||
Library of Congress Subject Headings (LCSH): | Solid state batteries, Polymer electrolytes | ||||||||
Journal or Publication Title: | Computational Materials Science | ||||||||
Publisher: | Elsevier Science BV | ||||||||
ISSN: | 0927-0256 | ||||||||
Official Date: | January 2021 | ||||||||
Dates: |
|
||||||||
Volume: | 186 | ||||||||
Article Number: | 109990 | ||||||||
DOI: | 10.1016/j.commatsci.2020.109990 | ||||||||
Status: | Peer Reviewed | ||||||||
Publication Status: | Published | ||||||||
Access rights to Published version: | Open Access (Creative Commons) | ||||||||
Date of first compliant deposit: | 4 September 2020 | ||||||||
Date of first compliant Open Access: | 4 September 2020 | ||||||||
RIOXX Funder/Project Grant: |
|
Request changes or add full text files to a record
Repository staff actions (login required)
View Item |
Downloads
Downloads per month over past year