A Free Volume-Based Viscoplastic Model for Amorphous Silicon Electrode of Lithium-Ion Battery

Yong Li, Wenya Mao, Qi Zhang, Kai Zhang, Fuqian Yang

Research output: Contribution to journalArticlepeer-review

13 Scopus citations


The phase transition of Si from crystalline phase to amorphous phase with the formation of metastable amorphous structures of Li12Si7, Li7Si3, Li13Si4 and Li22Si5 after the first few cycles suggests that the Si in Si-based lithium-ion battery is mainly present in amorphous phase. In this work, we extend the free volume theory, which has been widely used in the deformation analysis of bulk metallic glass, to describe the cycling-induced visco-plastic deformation in amorphous Si-electrode during electrochemical cycling and establish a constitutive relationship with the flow unit of free volume for the plastic flow in lithiated Si. The plastic flow in lithiated Si is accompanied with the creation and annihilation of free volume. Using the constitutive relationship and incorporating the concentration-dependent mechanical properties of lithiated Si, we study the cycling-induced evolution of Cauchy stress and free volume in amorphous, thin-film Si-electrodes. The numerical results are in good accord with the experimental results reported in literature, which validates the approximation used in the analysis of the cycling-induced deformation of the amorphous, thin-film Si-electrodes.

Original languageEnglish
Article number040518
JournalJournal of the Electrochemical Society
Issue number4
StatePublished - Mar 2020

Bibliographical note

Publisher Copyright:
© 2020 The Electrochemical Society ("ECS"). Published on behalf of ECS by IOP Publishing Limited.

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Materials Chemistry
  • Surfaces, Coatings and Films
  • Electrochemistry
  • Renewable Energy, Sustainability and the Environment


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