Predicting fracture evolution during lithiation process using peridynamics

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Abstract

Silicon is regarded as one of the most promising anode materials for lithium-ion batteries due to its large electric capacity. However, silicon experiences large volumetric change during battery cycling which can lead to fracture and failure of lithium-ion batteries. The lithium concentration and anode material phase change have direct influence on hydrostatic stress and damage evolution. High pressure gradient around crack tips causes mass flux of lithium ions which increases the lithium-ion concentration in these regions. Therefore, it is essential to describe the physics of the problem by solving fully coupled mechanical-diffusion equations. In this study, these equations are solved using peridynamics in conjunction with newly introduced peridynamic differential operator concept used to convert partial differential equation into peridynamic form for the diffusion equation. After validating the developed framework, the capability of the current approach is demonstrated by considering a thin electrode plate with multiple pre-existing cracks oriented in different directions. It is shown that peridynamics can successfully predict the crack propagation process during the lithiation process.
Original languageEnglish
Pages (from-to)176-191
Number of pages6
JournalEngineering Fracture Mechanics
Volume192
Early online date21 Feb 2018
DOIs
Publication statusPublished - 1 Apr 2018

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Lithium
Silicon
Anodes
Ions
Phase change materials
Pressure gradient
Crack tips
Partial differential equations
Mathematical operators
Crack propagation
Capacitance
Mass transfer
Physics
Cracks
Electrodes
Lithium-ion batteries

Keywords

  • lithium-ion battery
  • fracture analysis
  • peridynamics
  • phase change
  • pressure gradient effect

Cite this

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title = "Predicting fracture evolution during lithiation process using peridynamics",
abstract = "Silicon is regarded as one of the most promising anode materials for lithium-ion batteries due to its large electric capacity. However, silicon experiences large volumetric change during battery cycling which can lead to fracture and failure of lithium-ion batteries. The lithium concentration and anode material phase change have direct influence on hydrostatic stress and damage evolution. High pressure gradient around crack tips causes mass flux of lithium ions which increases the lithium-ion concentration in these regions. Therefore, it is essential to describe the physics of the problem by solving fully coupled mechanical-diffusion equations. In this study, these equations are solved using peridynamics in conjunction with newly introduced peridynamic differential operator concept used to convert partial differential equation into peridynamic form for the diffusion equation. After validating the developed framework, the capability of the current approach is demonstrated by considering a thin electrode plate with multiple pre-existing cracks oriented in different directions. It is shown that peridynamics can successfully predict the crack propagation process during the lithiation process.",
keywords = "lithium-ion battery, fracture analysis, peridynamics, phase change, pressure gradient effect",
author = "Hanlin Wang and Erkan Oterkus and Selda Oterkus",
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doi = "10.1016/j.engfracmech.2018.02.009",
language = "English",
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journal = "Engineering Fracture Mechanics",
issn = "0013-7944",

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TY - JOUR

T1 - Predicting fracture evolution during lithiation process using peridynamics

AU - Wang, Hanlin

AU - Oterkus, Erkan

AU - Oterkus, Selda

PY - 2018/4/1

Y1 - 2018/4/1

N2 - Silicon is regarded as one of the most promising anode materials for lithium-ion batteries due to its large electric capacity. However, silicon experiences large volumetric change during battery cycling which can lead to fracture and failure of lithium-ion batteries. The lithium concentration and anode material phase change have direct influence on hydrostatic stress and damage evolution. High pressure gradient around crack tips causes mass flux of lithium ions which increases the lithium-ion concentration in these regions. Therefore, it is essential to describe the physics of the problem by solving fully coupled mechanical-diffusion equations. In this study, these equations are solved using peridynamics in conjunction with newly introduced peridynamic differential operator concept used to convert partial differential equation into peridynamic form for the diffusion equation. After validating the developed framework, the capability of the current approach is demonstrated by considering a thin electrode plate with multiple pre-existing cracks oriented in different directions. It is shown that peridynamics can successfully predict the crack propagation process during the lithiation process.

AB - Silicon is regarded as one of the most promising anode materials for lithium-ion batteries due to its large electric capacity. However, silicon experiences large volumetric change during battery cycling which can lead to fracture and failure of lithium-ion batteries. The lithium concentration and anode material phase change have direct influence on hydrostatic stress and damage evolution. High pressure gradient around crack tips causes mass flux of lithium ions which increases the lithium-ion concentration in these regions. Therefore, it is essential to describe the physics of the problem by solving fully coupled mechanical-diffusion equations. In this study, these equations are solved using peridynamics in conjunction with newly introduced peridynamic differential operator concept used to convert partial differential equation into peridynamic form for the diffusion equation. After validating the developed framework, the capability of the current approach is demonstrated by considering a thin electrode plate with multiple pre-existing cracks oriented in different directions. It is shown that peridynamics can successfully predict the crack propagation process during the lithiation process.

KW - lithium-ion battery

KW - fracture analysis

KW - peridynamics

KW - phase change

KW - pressure gradient effect

UR - https://www.sciencedirect.com/science/journal/00137944

U2 - 10.1016/j.engfracmech.2018.02.009

DO - 10.1016/j.engfracmech.2018.02.009

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SN - 0013-7944

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