TY - JOUR
T1 - Designing graphene origami structures with a giant isotropic negative coefficient of thermal expansion
AU - Ho, Duc Tam
AU - Schwingenschlögl, Udo
N1 - KAUST Repository Item: Exported on 2021-11-21
Acknowledgements: 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.
PY - 2021/6/2
Y1 - 2021/6/2
N2 - 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.
AB - 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.
UR - http://hdl.handle.net/10754/669358
UR - https://linkinghub.elsevier.com/retrieve/pii/S2352431621001097
UR - http://www.scopus.com/inward/record.url?scp=85110271289&partnerID=8YFLogxK
U2 - 10.1016/j.eml.2021.101357
DO - 10.1016/j.eml.2021.101357
M3 - Article
SN - 2352-4316
VL - 47
SP - 101357
JO - Extreme Mechanics Letters
JF - Extreme Mechanics Letters
ER -