Thermal conductivity of functionalized graphene-polymer nanocomposite

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Thermal conductivity of functionalized graphene-polymer nanocomposite

A non-equilibrium molecular dynamics study

Conference Paper (2017)

Author(s)

Hongyu Tang (TU Delft - Electrical Engineering, Mathematics and Computer Science, Changzhou Institute ofTechnology)

Huaiyu Ye (Ministry of Education, Shenzhen)

Xianping Chen (Ministry of Education of the People's Republic of China, Chongqing University)

Xuejun Fan (Lamar University)

Guoqi Zhang (TU Delft - Electrical Engineering, Mathematics and Computer Science)

Research Group

Electronic Components, Technology and Materials

Thermal conductivity Nanocomposite Functionalized graphene Non-equilibrium molecular dynamics

DOI related publication

https://doi.org/10.1109/EuroSimE.2017.7926247 Final published version

To reference this document use

https://resolver.tudelft.nl/uuid:f183285b-c4fc-4915-a2bc-f6cc6f388996

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Publication Year

2017

Language

English

Research Group

Electronic Components, Technology and Materials

Article number

7926247

ISBN (electronic)

9781509043446

Event

18th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems, EuroSimE 2017 (2017-04-03 - 2017-04-05), Dresden, Germany

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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.