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Advancements in Multiscale Multiphysics Chemomechanical Modeling of Lithium-Ion Batteries

A special issue of Energies (ISSN 1996-1073). This special issue belongs to the section "D2: Electrochem: Batteries, Fuel Cells, Capacitors".

Deadline for manuscript submissions: 30 July 2024 | Viewed by 2498

Special Issue Editors

1. Department of Mechanical, Robotics and Energy Engineering, Dongguk University, Seoul 04620, Republic of Korea
2. Department of Aerospace Engineering, College of Aeronautical Engineering, National University of Science and Technology, Risalpur 24090, Pakistan
Interests: lithium-ion battery; diffusion-induced stress; SEI formation; heterogeneous SEI layer; particle size; charge rate; chemomechanical modeling; 2D/3D multiparticle modeling; multiscale modeling; stress–potential coupling; particle–binder debonding; inhomogeneous stress; core–shell; mechanical failure analysis; capacity fading; COMSOL Multiphysics

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Guest Editor
Department of Mechanical, Robotics and Energy Engineering, Dongguk University, Seoul 04620, Republic of Korea
Interests: finite element analysis; comsol multiphysics; abaqus; fracture mechanics; cohesive zone model; interface debonding; lithium ion batteries; electrochemical analysis; damage mechanics

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Guest Editor
Department of Mechanical, Robotics and Energy Engineering, Dongguk University, Seoul 04620, Republic of Korea
Interests: material characterization; nanomaterials; fluorescence; ftir analysis; absorption; optical materials; materials; nanostructured materials; nanoscience; nanochemistry

Special Issue Information

Dear Colleagues,

Lithium-ion batteries are regarded as one of the most suitable energy storage devices because of their high energy density and long cyclability. However, the capacity of Li-ion batteries severely decreases as the number of charge–discharge cycles increases because of the formation of a solid electrolyte interface (SEI) layer on the particle surface, fracture and debonding of particles from conductive matrix, and accompanied dissolution of active material into the electrolyte. Current research is devoted to increasing the discharge capacity and reducing the charging time of Li-ion batteries. The increase in the charge–discharge rates creates mechanical instability of the electrodes and degradation at the cell level.

The lithium concentration gradient contributes to diffusion-induced stress (DIS) inside the particles during charging and discharging. These stresses cause the rupture of particles and delamination of conductive binder and SEI layer. Measuring the stress down to the particle level requires sophisticated equipment. Alternatively, chemomechancial models have been developed to study the stress and corresponding degradation. The multiscale nature of the battery requires an understanding of the coupling mechanism between the electrode behavior at microscale and the overall cell behavior at macroscale. Pseudo-two-dimensional models fully coupled with 2D/3D core–shell models and cohesive zone models aim to understand the chemomechancial behavior of the cells. In addition, the effect of stress on cell voltage and capacity fade needs to be thoroughly discussed.

The current Special Issue focuses on new developments and improvements in multiscale multiphysics chemomechanical models to understand the possible mechanical failure mechanisms and mitigate the capacity fade. The models will serve as a guide for the development of robust electrodes for Li-ion batteries.

The key topics covered by this Special Issue include but are not limited to the following:

  • Lithium-ion battery;
  • Diffusion-induced stress;
  • Heterogeneous SEI layer;
  • Chemomechanical 2D/3D multiparticle modeling;
  • Multiscale modeling;
  • Stress–potential coupling;
  • Core–shell;
  • Particle–binder debonding;
  • Abaqus;
  • Mechanical failure analysis of lithium-ion batteries;
  • Capacity fading;
  • Finite element analysis;
  • COMSOL Multiphysics;

Dr. Yasir Ali
Dr. Noman Iqbal
Prof. Dr. Seung Jun Lee
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Energies is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Published Papers (2 papers)

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Research

15 pages, 3806 KiB  
Article
A Multiphysics-Multiscale Model for Particle–Binder Interactions in Electrode of Lithium-Ion Batteries
by Yasir Ali, Imran Shah, Tariq Amin Khan and Noman Iqbal
Energies 2023, 16(15), 5823; https://doi.org/10.3390/en16155823 - 5 Aug 2023
Cited by 1 | Viewed by 1160
Abstract
Understanding the electrochemical and mechanical degradations inside the electrodes of lithium-ion battery is crucial for the design of robust electrodes. A typical lithium-ion battery electrode consists of active particles enclosed with conductive binder and an electrolyte. During the charging and discharging process, these [...] Read more.
Understanding the electrochemical and mechanical degradations inside the electrodes of lithium-ion battery is crucial for the design of robust electrodes. A typical lithium-ion battery electrode consists of active particles enclosed with conductive binder and an electrolyte. During the charging and discharging process, these adjacent materials create a mechanical confinement which suppresses the expansion and contraction of the particles and affects overall performance. The electrochemical and mechanical response mutually affect each other. The particle level expansion/contraction alters the electrochemical response at the electrode level. In return, the electrode level kinetics affect the stress at the particle level. In this paper, we developed a multiphysics–multiscale model to analyze the electrochemical and mechanical responses at both the particle and cell level. The 1D Li-ion battery model is fully coupled with 2D representative volume element (RVE) model, where the particles are covered in binder layers and bridged through the binder. The simulation results show that when the binder constraint is incorporated, the particles achieve a lower surface state of charge during charging. Further, the cell charging time increases by 7.4% and the discharge capacity reduces by 1.4% for 1 C-rate charge/discharge. In addition, mechanical interaction creates inhomogeneous stress inside the particle, which results in particle fracture and particle–binder debonding. The developed model will provide insights into the mechanisms of battery degradation for improving the performance of Li-ion batteries. Full article
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15 pages, 6131 KiB  
Article
Investigation of the Influence of Electrode Surface Structures on Wettability after Electrolyte Filling Based on Experiments and a Lattice Boltzmann Simulation
by Johannes Wanner and Kai Peter Birke
Energies 2023, 16(15), 5640; https://doi.org/10.3390/en16155640 - 26 Jul 2023
Cited by 4 | Viewed by 1015
Abstract
The filling of the electrolyte and the subsequent wetting of the electrodes is a quality-critical and time-intensive process in manufacturing of lithium-ion batteries. The exact influencing factors are the subject of research through experiments and simulation tools. Previous studies have demonstrated that wetting [...] Read more.
The filling of the electrolyte and the subsequent wetting of the electrodes is a quality-critical and time-intensive process in manufacturing of lithium-ion batteries. The exact influencing factors are the subject of research through experiments and simulation tools. Previous studies have demonstrated that wetting occurs mainly in the transition between the materials but leads to gas entrapments. Therefore, this paper investigates the influence of the electrode surface structures, situated between anode and separator, on the wetting progress, through experimental capillary wetting and simulated with a lattice Boltzmann simulation. The results show that the simulations can identify the exact pore size distribution and determine the wetting rates of the entire materials. Furthermore, the experiments reveal a negative correlation between fast wetting and rougher surface properties. This enables a more precise determination of the wetting phenomena in lithium-ion cell manufacturing. Full article
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