Designing graphene origami structures with a giant isotropic negative coefficient of thermal expansion
Type
ArticleAuthors
Ho, Duc TamSchwingenschlögl, Udo

KAUST Department
Computational Physics and Materials Science (CPMS)Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Date
2021-06-02Online Publication Date
2021-06-02Print Publication Date
2021-08Embargo End Date
2022-12-02Submitted Date
2021-02-15Permanent link to this record
http://hdl.handle.net/10754/669358
Metadata
Show full item recordAbstract
Materials 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.Citation
Ho, 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.2021.101357Sponsors
The 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.Publisher
Elsevier BVJournal
Extreme Mechanics LettersAdditional Links
https://linkinghub.elsevier.com/retrieve/pii/S2352431621001097ae974a485f413a2113503eed53cd6c53
10.1016/j.eml.2021.101357