Simulation of the Deformation for Cycling Chemo-Mechanically Coupled Battery Active Particles with Mechanical Constraints
Fuente:
arXiv
Saved in:
| Main Authors: | , , |
|---|---|
| Format: | Preprint |
| Published: |
2023
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866916188089483264 |
|---|---|
| author | Schoof, R. Castelli, G. F. Dörfler, W. |
| author_facet | Schoof, R. Castelli, G. F. Dörfler, W. |
| contents | Next-generation lithium-ion batteries with silicon anodes have positive characteristics due to higher energy densities compared to state-of-the-art graphite anodes. However, the large volume expansion of silicon anodes can cause high mechanical stresses, especially if the battery active particle cannot expand freely. In this article, a thermodynamically consistent continuum model for coupling chemical and mechanical effects of electrode particles is extended by a change in the boundary condition for the displacement via a variational inequality. This switch represents a limited enlargement of the particle swelling or shrinking due to lithium intercalation or deintercalation in the host material, respectively. For inequality constraints as boundary condition a smaller time step size is need as well as a locally finer mesh. The combination of a primal-dual active set algorithm, interpreted as semismooth Newton method, and a spatial and temporal adaptive algorithm allows the efficient numerical investigation based on a finite element method. Using the example of silicon, the chemical and mechanical behavior of one- and two-dimensional representative geometries for a charge-discharge cycle is investigated. Furthermore, the efficiency of the adaptive algorithm is demonstrated. It turns out that the size of the gap has a significant influence on the maximal stress value and the slope of the increase. Especially in two dimension, the obstacle can cause an additional region with a lithium-poor phase. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2302_07786 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Simulation of the Deformation for Cycling Chemo-Mechanically Coupled Battery Active Particles with Mechanical Constraints Schoof, R. Castelli, G. F. Dörfler, W. Numerical Analysis 74S05, 65M22, 90C33 Next-generation lithium-ion batteries with silicon anodes have positive characteristics due to higher energy densities compared to state-of-the-art graphite anodes. However, the large volume expansion of silicon anodes can cause high mechanical stresses, especially if the battery active particle cannot expand freely. In this article, a thermodynamically consistent continuum model for coupling chemical and mechanical effects of electrode particles is extended by a change in the boundary condition for the displacement via a variational inequality. This switch represents a limited enlargement of the particle swelling or shrinking due to lithium intercalation or deintercalation in the host material, respectively. For inequality constraints as boundary condition a smaller time step size is need as well as a locally finer mesh. The combination of a primal-dual active set algorithm, interpreted as semismooth Newton method, and a spatial and temporal adaptive algorithm allows the efficient numerical investigation based on a finite element method. Using the example of silicon, the chemical and mechanical behavior of one- and two-dimensional representative geometries for a charge-discharge cycle is investigated. Furthermore, the efficiency of the adaptive algorithm is demonstrated. It turns out that the size of the gap has a significant influence on the maximal stress value and the slope of the increase. Especially in two dimension, the obstacle can cause an additional region with a lithium-poor phase. |
| title | Simulation of the Deformation for Cycling Chemo-Mechanically Coupled Battery Active Particles with Mechanical Constraints |
| topic | Numerical Analysis 74S05, 65M22, 90C33 |
| url | https://arxiv.org/abs/2302.07786 |