Designing graphene origami structures with a giant isotropic negative coefficient of thermal expansion
AuthorsHo, Duc Tam
KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Online Publication Date2021-06-02
Print Publication Date2021-08
Embargo End Date2022-12-02
Permanent link to this recordhttp://hdl.handle.net/10754/669358
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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.
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
SponsorsThe 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.
JournalExtreme Mechanics Letters