Atomistic modeling of mechanical properties of polycrystalline graphene
Mortazavi B, Cuniberti G (2014)
Publication Type: Journal article
Publication year: 2014
Journal
Book Volume: 25
Article Number: 215704
Journal Issue: 21
DOI: 10.1088/0957-4484/25/21/215704
Abstract
We performed molecular dynamics (MD) simulations to investigate the mechanical properties of polycrystalline graphene. By constructing molecular models of ultra-fine-grained graphene structures, we studied the effect of different grain sizes of 1-10 nm on the mechanical response of graphene. We found that the elastic modulus and tensile strength of polycrystalline graphene decrease with decreasing grain size. The calculated mechanical proprieties for pristine and polycrystalline graphene sheets are found to be in agreement with experimental results in the literature. Our MD results suggest that the ultra-fine-grained graphene structures can show ultrahigh tensile strength and elastic modulus values that are very close to those of pristine graphene sheets. © 2014 IOP Publishing Ltd.
Involved external institutions
Germany (DE)How to cite
APA:
Mortazavi, B., & Cuniberti, G. (2014). Atomistic modeling of mechanical properties of polycrystalline graphene. Nanotechnology, 25(21). https://dx.doi.org/10.1088/0957-4484/25/21/215704
MLA:
Mortazavi, Bohayra, and Gianaurelio (Giovanni) Cuniberti. "Atomistic modeling of mechanical properties of polycrystalline graphene." Nanotechnology 25.21 (2014).
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