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

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Abstract

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.
Original languageEnglish (US)
Pages (from-to)101357
JournalExtreme Mechanics Letters
Volume47
DOIs
StatePublished - Jun 2 2021

ASJC Scopus subject areas

  • Engineering (miscellaneous)
  • Mechanics of Materials
  • Bioengineering
  • Chemical Engineering (miscellaneous)
  • Mechanical Engineering

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