Anisotropic Compositional Expansion and Chemical Potential for Amorphous Lithiated Silicon under Stress Tensor

dc.contributor.author Levitas, Valery
dc.contributor.author Attariani, Hamed
dc.contributor.author Levitas, Valery
dc.contributor.department Aerospace Engineering
dc.date 2018-02-13T18:15:22.000
dc.date.accessioned 2020-06-29T22:45:53Z
dc.date.available 2020-06-29T22:45:53Z
dc.date.embargo 2013-11-26
dc.date.issued 2013-04-08
dc.description.abstract <p><em>Si</em> is a promising anode material for Li-ion batteries, since it absorbs large amounts of <em>Li</em>. However, insertion of <em>Li</em> leads to 334% of volumetric expansion, huge stresses, and fracture; it can be suppressed by utilizing nanoscale anode structures. Continuum approaches to stress relaxation in <em>LixSi</em>, based on plasticity theory, are unrealistic, because the yield strength of <em>LixSi</em> is much higher than the generated stresses. Here, we suggest that stress relaxation is due to anisotropic (tensorial) compositional straining that occurs during insertion-extraction at any deviatoric stresses. Developed theory describes known experimental and atomistic simulation data. A method to reduce stresses is predicted and confirmed by known experiments. Chemical potential has an additional contribution due to deviatoric stresses, which leads to increases in the driving force both for insertion and extraction. The results have conceptual and general character and are applicable to any material systems.</p>
dc.description.comments <p>This article is from <em>Scientific Reports</em> 3 (2013): 1615, doi:<a href="http://dx.doi.org/10.1038/srep01615" target="_blank">10.1038/srep01615</a>.</p>
dc.format.mimetype application/pdf
dc.identifier archive/lib.dr.iastate.edu/aere_pubs/34/
dc.identifier.articleid 1033
dc.identifier.contextkey 4855957
dc.identifier.s3bucket isulib-bepress-aws-west
dc.identifier.submissionpath aere_pubs/34
dc.identifier.uri https://dr.lib.iastate.edu/handle/20.500.12876/2033
dc.language.iso en
dc.source.bitstream archive/lib.dr.iastate.edu/aere_pubs/34/2013_LevitasVI_AnisotropicCompositionalExpansion.pdf|||Fri Jan 14 23:40:21 UTC 2022
dc.source.uri 10.1038/srep01615
dc.subject.disciplines Aerospace Engineering
dc.subject.disciplines Materials Science and Engineering
dc.subject.disciplines Mechanical Engineering
dc.subject.keywords Mechanical Engineering
dc.subject.keywords Materials Science and Engineering
dc.subject.keywords coarse-grained models
dc.subject.keywords Batteries
dc.subject.keywords Computational science
dc.title Anisotropic Compositional Expansion and Chemical Potential for Amorphous Lithiated Silicon under Stress Tensor
dc.type article
dc.type.genre article
dspace.entity.type Publication
relation.isAuthorOfPublication 850871e3-115a-428e-82cc-cbfafef5cf66
relation.isOrgUnitOfPublication 047b23ca-7bd7-4194-b084-c4181d33d95d
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