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dc.contributor.authorHo, Duc Tam
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2021-06-03T06:23:43Z
dc.date.available2021-06-03T06:23:43Z
dc.date.issued2021-06-02
dc.date.submitted2021-02-15
dc.identifier.citationHo, D. T., & Schwingenschlögl, U. (2021). Designing graphene origami structures with a giant isotropic negative coefficient of thermal expansion. Extreme Mechanics Letters, 47, 101357. doi:10.1016/j.eml.2021.101357
dc.identifier.issn2352-4316
dc.identifier.doi10.1016/j.eml.2021.101357
dc.identifier.urihttp://hdl.handle.net/10754/669358
dc.description.abstractMaterials with an isotropic negative coefficient of thermal expansion (CTE) of the order of K−1 are rare, and almost all of them are porous. Using molecular dynamics simulations, we show that graphene origami structures obtained by pattern-based hydrogenation can exhibit a negative CTE. The magnitude and anisotropy of the CTE can be controlled by parameters of the pattern-based hydrogenation that determine the stiffness and Poisson ratio, respectively. We achieve an isotropic CTE of K−1, which is an enhancement by three orders of magnitude as compared to reports for other graphene-based structures and comes close to the record of all known materials.
dc.description.sponsorshipThe research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST), Saudi Arabia . This work used computational resources of the Supercomputing Laboratory at KAUST.
dc.publisherElsevier BV
dc.relation.urlhttps://linkinghub.elsevier.com/retrieve/pii/S2352431621001097
dc.rightsNOTICE: this is the author’s version of a work that was accepted for publication in Extreme Mechanics Letters. 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 Extreme Mechanics Letters, [47, , (2021-06-02)] DOI: 10.1016/j.eml.2021.101357 . © 2021. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.titleDesigning graphene origami structures with a giant isotropic negative coefficient of thermal expansion
dc.typeArticle
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.contributor.departmentMaterial Science and Engineering Program
dc.identifier.journalExtreme Mechanics Letters
dc.rights.embargodate2022-12-02
dc.eprint.versionPost-print
dc.identifier.volume47
dc.identifier.pages101357
kaust.personHo, Duc Tam
kaust.personSchwingenschlögl, Udo
dc.date.accepted2021-04-29
kaust.acknowledged.supportUnitSupercomputing Laboratory at KAUST


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