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Title: Numerical Solution of Moving Phase Boundary and Diffusion-Induced Stress of Sn Anode in the Lithium-Ion Battery

Abstract

Here, we have previously observed a large transient stress in Sn film anodes at the beginning of the Sn-Li2Sn5 phase transformation. To understand this behavior, we use numerical modeling to simulate the kinetics of the 1-D moving boundary and Li diffusion in the Sn anodes. A mixture of diffusion-controlled and interface-controlled kinetics is found. The Li concentration in the Li2Sn5 phase remains near a steady-state profile as the phase boundary propagates, whereas the Li diffusion in Sn is more complicated. Li continuously diffuses into the Sn layer and produces a supersaturation; the Li can then diffuse toward the Sn/Li2Sn5 interface and contribute to further phase transformation. Finally, the evolution of Li concentration in the Sn induces strain which involves rate-dependent plasticity and elastic unloading, resulting in the complex stress evolution that is observed. In the long term, the measured stress is dominated by the stress in the growing Li2Sn5 phase.

Authors:
 [1];  [1];  [1]
  1. Brown Univ., Providence, RI (United States). School of Engineering
Publication Date:
Research Org.:
Brown Univ., Providence, RI (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1425631
Grant/Contract Number:  
SC0007074
Resource Type:
Accepted Manuscript
Journal Name:
Journal of the Electrochemical Society
Additional Journal Information:
Journal Volume: 164; Journal Issue: 11; Journal ID: ISSN 0013-4651
Publisher:
The Electrochemical Society
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; diffusion-induced stress; finite-difference method; Li-ion battery; Sn anode

Citation Formats

Chen, Chun-Hao, Chason, Eric, and Guduru, Pradeep R. Numerical Solution of Moving Phase Boundary and Diffusion-Induced Stress of Sn Anode in the Lithium-Ion Battery. United States: N. p., 2017. Web. doi:10.1149/2.0661711jes.
Chen, Chun-Hao, Chason, Eric, & Guduru, Pradeep R. Numerical Solution of Moving Phase Boundary and Diffusion-Induced Stress of Sn Anode in the Lithium-Ion Battery. United States. doi:10.1149/2.0661711jes.
Chen, Chun-Hao, Chason, Eric, and Guduru, Pradeep R. Wed . "Numerical Solution of Moving Phase Boundary and Diffusion-Induced Stress of Sn Anode in the Lithium-Ion Battery". United States. doi:10.1149/2.0661711jes. https://www.osti.gov/servlets/purl/1425631.
@article{osti_1425631,
title = {Numerical Solution of Moving Phase Boundary and Diffusion-Induced Stress of Sn Anode in the Lithium-Ion Battery},
author = {Chen, Chun-Hao and Chason, Eric and Guduru, Pradeep R.},
abstractNote = {Here, we have previously observed a large transient stress in Sn film anodes at the beginning of the Sn-Li2Sn5 phase transformation. To understand this behavior, we use numerical modeling to simulate the kinetics of the 1-D moving boundary and Li diffusion in the Sn anodes. A mixture of diffusion-controlled and interface-controlled kinetics is found. The Li concentration in the Li2Sn5 phase remains near a steady-state profile as the phase boundary propagates, whereas the Li diffusion in Sn is more complicated. Li continuously diffuses into the Sn layer and produces a supersaturation; the Li can then diffuse toward the Sn/Li2Sn5 interface and contribute to further phase transformation. Finally, the evolution of Li concentration in the Sn induces strain which involves rate-dependent plasticity and elastic unloading, resulting in the complex stress evolution that is observed. In the long term, the measured stress is dominated by the stress in the growing Li2Sn5 phase.},
doi = {10.1149/2.0661711jes},
journal = {Journal of the Electrochemical Society},
number = 11,
volume = 164,
place = {United States},
year = {2017},
month = {8}
}

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Works referenced in this record:

A concise model for mixed-mode phase transformations in the solid state
journal, August 2004


Electromigration enhanced intermetallic growth and void formation in Pb-free solder joints
journal, October 2006

  • Chao, Brook; Chae, Seung-Hyun; Zhang, Xuefeng
  • Journal of Applied Physics, Vol. 100, Issue 8
  • DOI: 10.1063/1.2359135

A simple finite element model of diffusion, finite deformation, plasticity and fracture in lithium ion insertion electrode materials
journal, April 2012


Nonequilibrium Structural Dynamics of Nanoparticles in LiNi 1/2 Mn 3/2 O 4 Cathode under Operando Conditions
journal, August 2014

  • Singer, Andrej; Ulvestad, Andrew; Cho, Hyung-Man
  • Nano Letters, Vol. 14, Issue 9
  • DOI: 10.1021/nl502332b

Application of the combined integral method to Stefan problems
journal, September 2011


Elastic behavior of crystalline Li–Sn phases with increasing Li concentration
journal, June 2012


Measurements of the Phase and Stress Evolution during Initial Lithiation of Sn Electrodes
journal, January 2017

  • Chen, Chun-Hao; Chason, Eric; Guduru, Pradeep R.
  • Journal of The Electrochemical Society, Vol. 164, Issue 4
  • DOI: 10.1149/2.0381704jes

Modeling Diffusion-Induced Stress in Li-Ion Cells with Porous Electrodes
journal, January 2010

  • Christensen, Jake
  • Journal of The Electrochemical Society, Vol. 157, Issue 3, p. A366-A380
  • DOI: 10.1149/1.3269995

A hybrid extended finite element/level set method for modeling phase transformations
journal, January 2002

  • Ji, H.; Chopp, D.; Dolbow, J. E.
  • International Journal for Numerical Methods in Engineering, Vol. 54, Issue 8
  • DOI: 10.1002/nme.468

A Moving Boundary Problem Arising from the Diffusion of Oxygen in Absorbing Tissue
journal, January 1972

  • Crank, John; Gupta, Radhey S.
  • IMA Journal of Applied Mathematics, Vol. 10, Issue 1
  • DOI: 10.1093/imamat/10.1.19

Diffusion and interface control of reactions in alloys
journal, January 1975


Interface-reaction controlled diffusion in binary solids with applications to lithiation of silicon in lithium-ion batteries
journal, February 2013

  • Cui, Zhiwei; Gao, Feng; Qu, Jianmin
  • Journal of the Mechanics and Physics of Solids, Vol. 61, Issue 2
  • DOI: 10.1016/j.jmps.2012.11.001

Diffusion induced stress in layered Li-ion battery electrode plates
journal, July 2012


Free Energy of a Nonuniform System. III. Nucleation in a Two‐Component Incompressible Fluid
journal, September 1959

  • Cahn, John W.; Hilliard, John E.
  • The Journal of Chemical Physics, Vol. 31, Issue 3
  • DOI: 10.1063/1.1730447

Density-functional theory applied to phase transformations in transition-metal alloys
journal, April 1983


Theoretical analysis of the role of interfaces in transport through oxygen ion and electron conducting membranes
journal, September 2005


Experimental Calibration of a Cahn-Hilliard Phase-Field Model for Phase Transformations in Li-Sn Electrodes
journal, January 2016

  • Hulikal, Srivatsan; Chen, Chun-Hao; Chason, Eric
  • Journal of The Electrochemical Society, Vol. 163, Issue 13
  • DOI: 10.1149/2.0701613jes

Electrochemical lithiation of tin and tin-based intermetallics and composites
journal, September 1999