Thermal conductivity of functionalized graphene-polymer nanocomposite: A non-equilibrium molecular dynamics study

Hongyu Tang, Huaiyu Ye, Xianping Chen, Xuejun Fan, Guoqi Zhang

Research output: Chapter in Book/Conference proceedings/Edited volumeConference contributionScientificpeer-review

2 Citations (Scopus)

Abstract

Heat transfer across thermal interface material, such as graphene-polymer composite, is a critical issue for microelectronics thermal management. To improve its thermal performance, we use chemical functionalization on the graphene with hydrocarbon chains in this work. Molecular dynamics simulations are used to identify the thermal conductivity of monolayer graphene and graphene-polymer nanocomposites with and without grafted hydrocarbon chain. The influence of functionalization with hydrocarbon chains on the interfacial thermal conductance of graphene-polyethylene nanocomposites was investigated using a non-equilibrium molecular dynamics (NEMD) simulation. We also study the effects of the graft density (number of hydrocarbon chain) on the thermal conductivity of graphene and the nanocomposite.

Original languageEnglish
Title of host publication2017 18th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems, EuroSimE 2017
PublisherInstitute of Electrical and Electronics Engineers (IEEE)
ISBN (Electronic)9781509043446
DOIs
Publication statusPublished - 10 May 2017
Event18th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems, EuroSimE 2017: 18th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems - Dresden, Germany
Duration: 3 Apr 20175 Apr 2017

Conference

Conference18th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems, EuroSimE 2017
CountryGermany
CityDresden
Period3/04/175/04/17

Keywords

  • Functionalized graphene
  • Nanocomposite
  • Non-equilibrium molecular dynamics
  • Thermal conductivity

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