Version 1
: Received: 5 January 2021 / Approved: 6 January 2021 / Online: 6 January 2021 (13:26:46 CET)
How to cite:
Di Pierro, A.; Mortazavi, B.; Noori, H.; Rabczuk, T.; Fina, A. A Multiscale Investigation on the Thermal Transport in Polydimethylsiloxane Nanocomposites: Graphene vs Borophene. Preprints2021, 2021010117. https://doi.org/10.20944/preprints202101.0117.v1
Di Pierro, A.; Mortazavi, B.; Noori, H.; Rabczuk, T.; Fina, A. A Multiscale Investigation on the Thermal Transport in Polydimethylsiloxane Nanocomposites: Graphene vs Borophene. Preprints 2021, 2021010117. https://doi.org/10.20944/preprints202101.0117.v1
Di Pierro, A.; Mortazavi, B.; Noori, H.; Rabczuk, T.; Fina, A. A Multiscale Investigation on the Thermal Transport in Polydimethylsiloxane Nanocomposites: Graphene vs Borophene. Preprints2021, 2021010117. https://doi.org/10.20944/preprints202101.0117.v1
APA Style
Di Pierro, A., Mortazavi, B., Noori, H., Rabczuk, T., & Fina, A. (2021). A Multiscale Investigation on the Thermal Transport in Polydimethylsiloxane Nanocomposites: Graphene vs Borophene. Preprints. https://doi.org/10.20944/preprints202101.0117.v1
Chicago/Turabian Style
Di Pierro, A., Timon Rabczuk and Alberto Fina. 2021 "A Multiscale Investigation on the Thermal Transport in Polydimethylsiloxane Nanocomposites: Graphene vs Borophene" Preprints. https://doi.org/10.20944/preprints202101.0117.v1
Abstract
Graphene and borophene are highly attractive two-dimensional materials with outstanding physical properties. In this study we employed a combined atomistic continuum multiscale modeling to explore the effective thermal conductivity of polymers nanocomposites made of PDMS polymer as the matrix and graphene and borophene as nanofillers. We first conduct classical molecular dynamics simulations to investigate the interfacial thermal conductance between graphene/PDMS and borophene/PDMS interfaces. Acquired results confirm that the interfacial thermal conductance between nanosheets and polymer increases from the single-layer to multilayered nanosheets and finally converges. The data provided by the atomistic simulations were then used in the finite element method simulations to evaluate the effective thermal conductivity of polymer nanocomposites at continuum level. We explore the effects of nanofillers type, their volume content, geometry aspect ratio and thickness on the nanocomposites effective thermal conductivity. As a very interesting finding, we show that borophene nanosheets, despite almost two orders of magnitude lower thermal conductivity than graphene, can yield very close enhancement in the effective thermal conductivity in comparison with graphene, particularly for low volume content and small aspect ratios and thicknesses. We conclude that for the polymer-based nanocomposites, significant improvement in the thermal conductivity can be reached by improving the bonding between the fillers and polymer or in another word enhancing the thermal conductance at the interface. By taking into account the high electrical conductivity of borophene, our results suggest borophene nanosheets as promising nanofillers to simultaneously enhance the polymers thermal and electrical conductivity.
Keywords
Thermal transport in nanocomposites; interfacial thermal conductance; graphene; borophene; multiscale modelling of thermal transport
Subject
Chemistry and Materials Science, Biomaterials
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
