dc.contributor.author | Zeng, Yi | |
dc.contributor.author | Bazant, Martin Z. | |
dc.date.accessioned | 2014-12-29T22:01:09Z | |
dc.date.available | 2014-12-29T22:01:09Z | |
dc.date.issued | 2014-07 | |
dc.date.submitted | 2013-09 | |
dc.identifier.issn | 0036-1399 | |
dc.identifier.issn | 1095-712X | |
dc.identifier.uri | http://hdl.handle.net/1721.1/92543 | |
dc.description.abstract | Lithium-ion batteries exhibit complex nonlinear dynamics, resulting from diffusion and phase transformations coupled to ion-intercalation reactions. Using the recently developed Cahn--Hilliard reaction (CHR) theory, we investigate a simple mathematical model of ion intercalation in a spherical solid nanoparticle, which predicts transitions from solid-solution radial diffusion to two-phase shrinking-core dynamics. This general approach extends previous lithium-ion battery models, which either neglect phase separation or postulate a spherical shrinking-core phase boundary, by predicting phase separation only under appropriate circumstances. The effect of the applied current is captured by generalized Butler--Volmer kinetics, formulated in terms of diffusional chemical potentials, and the model consistently links the evolving concentration profile to the battery voltage. We examine sources of charge/discharge asymmetry, such as asymmetric charge transfer and surface “wetting" by ions within the solid, which can lead to three distinct phase regions. In order to solve the fourth-order nonlinear CHR initial-boundary-value problem, a control-volume discretization is developed in spherical coordinates. The basic physics are illustrated by simulating many representative cases, including a simple model of the popular cathode material, lithium iron phosphate (neglecting crystal anisotropy and coherency strain). Analytical approximations are also derived for the voltage plateau as a function of the applied current. | en_US |
dc.description.sponsorship | National Science Foundation (U.S.). Graduate Research Fellowship Program (Grant 1122374) | en_US |
dc.description.sponsorship | Samsung-MIT Alliance | en_US |
dc.description.sponsorship | Samsung (Firm) | en_US |
dc.language.iso | en_US | |
dc.publisher | Society for Industrial and Applied Mathematics | en_US |
dc.relation.isversionof | http://dx.doi.org/10.1137/130937548 | en_US |
dc.rights | Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. | en_US |
dc.source | Society for Industrial and Applied Mathematics | en_US |
dc.title | Phase Separation Dynamics in Isotropic Ion-Intercalation Particles | en_US |
dc.type | Article | en_US |
dc.identifier.citation | Zeng, Yi, and Martin Z. Bazant. “Phase Separation Dynamics in Isotropic Ion-Intercalation Particles.” SIAM Journal on Applied Mathematics 74, no. 4 (January 2014): 980–1004. © 2014, Society for Industrial and Applied Mathematics | en_US |
dc.contributor.department | Massachusetts Institute of Technology. Department of Chemical Engineering | en_US |
dc.contributor.department | Massachusetts Institute of Technology. Department of Mathematics | en_US |
dc.contributor.mitauthor | Zeng, Yi | en_US |
dc.contributor.mitauthor | Bazant, Martin Z. | en_US |
dc.relation.journal | SIAM Journal on Applied Mathematics | en_US |
dc.eprint.version | Final published version | en_US |
dc.type.uri | http://purl.org/eprint/type/JournalArticle | en_US |
eprint.status | http://purl.org/eprint/status/PeerReviewed | en_US |
dspace.orderedauthors | Zeng, Yi; Bazant, Martin Z. | en_US |
mit.license | PUBLISHER_POLICY | en_US |
mit.metadata.status | Complete | |