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Pressure-sensitive plasticity of lithiated silicon in Li-ion batteries

Pressure-sensitive plasticity of lithiated silicon in Li-ion batteries Abstract Lithiation-induced plasticity is a key factor that enables Si electrodes to maintain long cycle life in Li-ion batteries. We study the plasticity of various lithiated silicon phases based on first-principles calculations and identify the linear dependence of the equivalent yield stress on the hydrostatic pressure. Such dependence may cause the compression-tension asymmetry in an amorphous Si thin film electrode from a lithiation to delithiation cycle, and leads to subsequent ratcheting of the electrode after cyclic lithiation. We propose a yield criterion of amorphous lithiated silicon that includes the effects of the hydrostatic stress and the lithiation reaction. We further examine the microscopic mechanism of deformation in lithiated silicon under mechanical load, which is attributed to the flow-defects mediated local bond switching and cavitation. Hydrostatic compression confines the flow defects thus effectively strengthens the amorphous structure, and vice versa. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png "Acta Mechanica Sinica" Springer Journals

Pressure-sensitive plasticity of lithiated silicon in Li-ion batteries

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References (54)

Publisher
Springer Journals
Copyright
2013 The Chinese Society of Theoretical and Applied Mechanics; Institute of Mechanics, Chinese Academy of Sciences and Springer-Verlag Berlin Heidelberg
ISSN
0567-7718
eISSN
1614-3116
DOI
10.1007/s10409-013-0041-2
Publisher site
See Article on Publisher Site

Abstract

Abstract Lithiation-induced plasticity is a key factor that enables Si electrodes to maintain long cycle life in Li-ion batteries. We study the plasticity of various lithiated silicon phases based on first-principles calculations and identify the linear dependence of the equivalent yield stress on the hydrostatic pressure. Such dependence may cause the compression-tension asymmetry in an amorphous Si thin film electrode from a lithiation to delithiation cycle, and leads to subsequent ratcheting of the electrode after cyclic lithiation. We propose a yield criterion of amorphous lithiated silicon that includes the effects of the hydrostatic stress and the lithiation reaction. We further examine the microscopic mechanism of deformation in lithiated silicon under mechanical load, which is attributed to the flow-defects mediated local bond switching and cavitation. Hydrostatic compression confines the flow defects thus effectively strengthens the amorphous structure, and vice versa.

Journal

"Acta Mechanica Sinica"Springer Journals

Published: Jun 1, 2013

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