Polycrystalline morphology and mechanical strength of nanotube fibers

dc.citation.articleNumber15en_US
dc.citation.journalTitlenpj Computational Materialsen_US
dc.citation.volumeNumber8en_US
dc.contributor.authorGupta, Nitanten_US
dc.contributor.authorPenev, Evgeni S.en_US
dc.contributor.authorYakobson, Boris I.en_US
dc.date.accessioned2022-03-24T13:31:49Zen_US
dc.date.available2022-03-24T13:31:49Zen_US
dc.date.issued2022en_US
dc.description.abstractCorrelating mechanical performance with mesoscale structure is fundamental for the design and optimization of light and strong fibers (or any composites), most promising being those from carbon nanotubes. In all forms of nanotube fiber production strategies, due to tubes’ mutual affinity, some degree of bundling into liquid crystal-like domains can be expected, causing heterogeneous load transfer within and outside these domains, and having a direct impact on the fiber strength. By employing large-scale coarse-grained simulations, we demonstrate that the strength s of nanotube fibers with characteristic domain size D scales as s ~ 1/D, while the degree of longitudinal/axial disorder within the domains (akin to a smectic ↔ nematic phase transition) can substantially mitigate this dependence.en_US
dc.identifier.citationGupta, Nitant, Penev, Evgeni S. and Yakobson, Boris I.. "Polycrystalline morphology and mechanical strength of nanotube fibers." <i>npj Computational Materials,</i> 8, (2022) Springer Nature: https://doi.org/10.1038/s41524-022-00705-x.en_US
dc.identifier.digitals41524-022-00705-xen_US
dc.identifier.doihttps://doi.org/10.1038/s41524-022-00705-xen_US
dc.identifier.urihttps://hdl.handle.net/1911/112061en_US
dc.language.isoengen_US
dc.publisherSpringer Natureen_US
dc.rightsThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder.en_US
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/en_US
dc.titlePolycrystalline morphology and mechanical strength of nanotube fibersen_US
dc.typeJournal articleen_US
dc.type.dcmiTexten_US
dc.type.publicationpublisher versionen_US
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