A Multiphysics Peridynamic Model for Simulation of Fracture in Si Thin Films during Lithiation/Delithiation Cycles

Material failure is the main obstacle in fulfilling the potential of electrodes in lithium batteries. To date, different failure phenomena observed experimentally in various structures have become challenging to model in numerical simulations. Moreover, their mechanisms are not well understood. To f...

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Main Authors: Xiaofei Wang, Qi Tong
Format: Article
Language:English
Published: MDPI AG 2021-10-01
Series:Materials
Subjects:
Online Access:https://www.mdpi.com/1996-1944/14/20/6081
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author Xiaofei Wang
Qi Tong
author_facet Xiaofei Wang
Qi Tong
author_sort Xiaofei Wang
collection DOAJ
description Material failure is the main obstacle in fulfilling the potential of electrodes in lithium batteries. To date, different failure phenomena observed experimentally in various structures have become challenging to model in numerical simulations. Moreover, their mechanisms are not well understood. To fill the gap, here we develop a coupled chemo-mechanical model based on peridynamics, a particle method that is suitable for simulating spontaneous crack growth, to solve the fracture problems in silicon thin films due to lithiation/delithiation. The model solves mechanical and lithium diffusion problems, respectively, and uses a coupling technique to deal with the interaction between them. The numerical examples of different types of Si films show the advantage of the model in this category and well reproduce the fracture patterns observed in the experiments, demonstrating that it is a promising tool in simulating material failure in electrodes.
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spelling doaj.art-b7dca73309c44b829a91702265d286bc2023-11-22T18:58:42ZengMDPI AGMaterials1996-19442021-10-011420608110.3390/ma14206081A Multiphysics Peridynamic Model for Simulation of Fracture in Si Thin Films during Lithiation/Delithiation CyclesXiaofei Wang0Qi Tong1Department of Aeronautics and Astronautics, Fudan University, Shanghai 200433, ChinaDepartment of Aeronautics and Astronautics, Fudan University, Shanghai 200433, ChinaMaterial failure is the main obstacle in fulfilling the potential of electrodes in lithium batteries. To date, different failure phenomena observed experimentally in various structures have become challenging to model in numerical simulations. Moreover, their mechanisms are not well understood. To fill the gap, here we develop a coupled chemo-mechanical model based on peridynamics, a particle method that is suitable for simulating spontaneous crack growth, to solve the fracture problems in silicon thin films due to lithiation/delithiation. The model solves mechanical and lithium diffusion problems, respectively, and uses a coupling technique to deal with the interaction between them. The numerical examples of different types of Si films show the advantage of the model in this category and well reproduce the fracture patterns observed in the experiments, demonstrating that it is a promising tool in simulating material failure in electrodes.https://www.mdpi.com/1996-1944/14/20/6081lithium-ion batterieselectrodessilicon thin filmsfractureperidynamics
spellingShingle Xiaofei Wang
Qi Tong
A Multiphysics Peridynamic Model for Simulation of Fracture in Si Thin Films during Lithiation/Delithiation Cycles
Materials
lithium-ion batteries
electrodes
silicon thin films
fracture
peridynamics
title A Multiphysics Peridynamic Model for Simulation of Fracture in Si Thin Films during Lithiation/Delithiation Cycles
title_full A Multiphysics Peridynamic Model for Simulation of Fracture in Si Thin Films during Lithiation/Delithiation Cycles
title_fullStr A Multiphysics Peridynamic Model for Simulation of Fracture in Si Thin Films during Lithiation/Delithiation Cycles
title_full_unstemmed A Multiphysics Peridynamic Model for Simulation of Fracture in Si Thin Films during Lithiation/Delithiation Cycles
title_short A Multiphysics Peridynamic Model for Simulation of Fracture in Si Thin Films during Lithiation/Delithiation Cycles
title_sort multiphysics peridynamic model for simulation of fracture in si thin films during lithiation delithiation cycles
topic lithium-ion batteries
electrodes
silicon thin films
fracture
peridynamics
url https://www.mdpi.com/1996-1944/14/20/6081
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AT xiaofeiwang multiphysicsperidynamicmodelforsimulationoffractureinsithinfilmsduringlithiationdelithiationcycles
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