The persistence of phase-separation in LiFePO4 with two-dimensional Li+ transport : the Cahn-Hilliard-reaction equation and the role of defects

Dargaville, Steven & Farrell, Troy W. (2013) The persistence of phase-separation in LiFePO4 with two-dimensional Li+ transport : the Cahn-Hilliard-reaction equation and the role of defects. Electrochimica Acta, 94(1), pp. 143-158.


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We examine the solution of the two-dimensional Cahn-Hilliard-reaction (CHR) equation in the xy plane as a model of Li+ intercalation into LiFePO4 material. We validate our numerical solution against the solution of the depth-averaged equation, which has been used to model intercalation in the limit of highly orthotropic diffusivity and gradient penalty tensors. We then examine the phase-change behaviour in the full CHR system as these parameters become more isotropic, and find that as the Li+ diffusivity is increased in the x direction, phase separation persists at high currents, even in small crystals with averaged coherency strain included. The resulting voltage curves decrease monotonically, which has previously been considered a hallmark of crystals that fill homogeneously.

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18 citations in Scopus
18 citations in Web of Science®
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ID Code: 53555
Item Type: Journal Article
Refereed: Yes
Keywords: Cahn-Hilliard, lithium iron phosphate, lithium ion batteries, defects, mathematical modelling
DOI: 10.1016/j.electacta.2013.01.082
ISSN: 0013-4686
Subjects: Australian and New Zealand Standard Research Classification > MATHEMATICAL SCIENCES (010000) > APPLIED MATHEMATICS (010200) > Applied Mathematics not elsewhere classified (010299)
Divisions: Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2013 Elsevier
Copyright Statement: This is the author’s version of a work that was accepted for publication in Electrochimica Acta. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Electrochimica Acta, [VOL 94(1), (2013)] DOI: 10.1016/j.electacta.2013.01.082
Deposited On: 11 Sep 2012 22:06
Last Modified: 27 Jun 2017 04:53

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