Thermal and mechanical properties and micro-mechanism of SiO2/epoxy nanodielectrics

doi:10.1088/1674-1056/abff2c

Abstract In addition to electrical insulation properties, the thermal properties of nanodielectrics, such as glass transition temperature, thermal expansion coefficients, thermal conductivity, and mechanical properties, including Young's modulus, bulk modulus, and shear modulus, are also very important. This paper describes the molecular dynamics simulations of epoxy resin doped with SiO₂ nanoparticles and with SiO₂ nanoparticles that have been surface grafted with hexamethyldisilazane (HMDS) at 10% and 20% grafting rates. The results show that surface grafting can improve certain thermal and mechanical properties of the system. Our analysis indicates that the improved thermal performance occurs because the formation of thermal chains becomes easier after the surface grafting treatment. The improved mechanical properties originate from two causes. First, doping with SiO₂ nanoparticles inhibits the degree of movement of molecular chains in the system. Second, the surface grafting treatment weakens the molecular repulsion between SiO₂ and epoxy resin, and the van der Waals excluded region becomes thinner. Thus, the compatibility between SiO₂ nanoparticles and polymers is improved by the grafting treatment. The analysis method and conclusions in this paper provide guidance and reference for the future studies of the thermal and mechanical properties of nanodielectrics.

Keywords: nanodielectric surface grafting treatment molecular dynamics simulation interface properties

Received: 09 March 2021
Revised: 07 April 2021
Accepted manuscript online: 08 May 2021

PACS:	81.07.Nb	(Molecular nanostructures)
	82.35.Lr	(Physical properties of polymers)
	82.35.Np	(Nanoparticles in polymers)
	82.20.Wt	(Computational modeling; simulation)

Fund: Project supported by the National Key Research and Development Program of China (Grant. Nos. 2017YFB0902503 and 2016YFB0900802).

Corresponding Authors: Gui-Xin Zhang
E-mail: guixin@mail.tsinghua.edu.cn

Cite this article:

Tian-Yu Wang(王天宇), Gui-Xin Zhang(张贵新), and Da-Yu Li(李大雨) Thermal and mechanical properties and micro-mechanism of SiO₂/epoxy nanodielectrics 2021 Chin. Phys. B 30 128101

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Thermal and mechanical properties and micro-mechanism of SiO2/epoxy nanodielectrics

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Thermal and mechanical properties and micro-mechanism of SiO₂/epoxy nanodielectrics