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dc.contributor.authorSitinamaluwa, HS
dc.contributor.authorWang, MC
dc.contributor.authorWill, G
dc.contributor.authorSenadeera, W
dc.contributor.authorZhang, S
dc.contributor.authorYan, C
dc.date.accessioned2021-02-08T23:20:45Z
dc.date.available2021-02-08T23:20:45Z
dc.date.issued2016
dc.identifier.issn0021-8979
dc.identifier.doi10.1063/1.4954683
dc.identifier.urihttp://hdl.handle.net/10072/100089
dc.description.abstractA better understanding of lithium-silicon alloying mechanisms and associated mechanical behavior is essential for the design of Si-based electrodes for Li-ion batteries. Unfortunately, the relationship between the dynamic mechanical response and microstructure evolution during lithiation and delithiation has not been well understood. We use molecular dynamic simulations to investigate lithiated amorphous silicon with a focus to the evolution of its microstructure, phase composition, and stress generation. The results show that the formation of LixSi alloy phase is via different mechanisms, depending on Li concentration. In these alloy phases, the increase in Li concentration results in reduction of modulus of elasticity and fracture strength but increase in ductility in tension. For a LixSi system with uniform Li distribution, volume change induced stress is well below the fracture strength in tension.
dc.description.peerreviewedYes
dc.languageEnglish
dc.language.isoeng
dc.publisherAmerican Institute of Physics
dc.relation.ispartofpagefrom245103-1
dc.relation.ispartofpageto245103-6
dc.relation.ispartofjournalJournal of Applied Physics
dc.relation.ispartofvolume119
dc.subject.fieldofresearchMathematical sciences
dc.subject.fieldofresearchPhysical sciences
dc.subject.fieldofresearchEngineering
dc.subject.fieldofresearchOther engineering not elsewhere classified
dc.subject.fieldofresearchcode49
dc.subject.fieldofresearchcode51
dc.subject.fieldofresearchcode40
dc.subject.fieldofresearchcode409999
dc.titleLithium concentration dependent structure and mechanics of amorphous silicon
dc.typeJournal article
dc.type.descriptionC1 - Articles
dc.type.codeC - Journal Articles
dc.description.versionVersion of Record (VoR)
gro.rights.copyright© 2018 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in Journal of Applied Physics 119, 245103 (2016) and may be found at https://doi.org/10.1063/1.4954683
gro.hasfulltextFull Text
gro.griffith.authorZhang, Shanqing


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