Jump to main content
Jump to site search

Issue 6, 2014
Previous Article Next Article

Multiscale modeling of thermal conductivity of polycrystalline graphene sheets

Author affiliations

Abstract

We developed a multiscale approach to explore the effective thermal conductivity of polycrystalline graphene sheets. By performing equilibrium molecular dynamics (EMD) simulations, the grain size effect on the thermal conductivity of ultra-fine grained polycrystalline graphene sheets is investigated. Our results reveal that the ultra-fine grained graphene structures have thermal conductivity one order of magnitude smaller than that of pristine graphene. Based on the information provided by the EMD simulations, we constructed finite element models of polycrystalline graphene sheets to probe the thermal conductivity of samples with larger grain sizes. Using the developed multiscale approach, we also investigated the effects of grain size distribution and thermal conductivity of grains on the effective thermal conductivity of polycrystalline graphene. The proposed multiscale approach on the basis of molecular dynamics and finite element methods could be used to evaluate the effective thermal conductivity of polycrystalline graphene and other 2D structures.

Graphical abstract: Multiscale modeling of thermal conductivity of polycrystalline graphene sheets

Back to tab navigation

Publication details

The article was received on 02 Dec 2013, accepted on 03 Jan 2014 and first published on 09 Jan 2014


Article type: Paper
DOI: 10.1039/C3NR06388G
Citation: Nanoscale, 2014,6, 3344-3352
  •   Request permissions

    Multiscale modeling of thermal conductivity of polycrystalline graphene sheets

    B. Mortazavi, M. Pötschke and G. Cuniberti, Nanoscale, 2014, 6, 3344
    DOI: 10.1039/C3NR06388G

Search articles by author

Spotlight

Advertisements