Designing graphene origami structures with a giant isotropic negative coefficient of thermal expansion
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