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Chin. Phys. B, 2021, Vol. 30(12): 128101    DOI: 10.1088/1674-1056/abff2c

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

Tian-Yu Wang(王天宇), Gui-Xin Zhang(张贵新), and Da-Yu Li(李大雨)
Department of Electrical Engineering, Tsinghua University, Beijing 100084, China
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:

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

[1] Wang T, Zhang G, Li D, Hou Y and Zhang B 2020 IEEE Trans. Dielectr. Electr. Insul. 27 939
[2] Wang T, Zhang B, Li D, Hou Y and Zhang G 2020 Nanotechnol. 31 324001
[3] Du B, Han C, Li J and Li Z 2020 IEEE Trans. Dielectr. Electr. Insul. 27 418
[4] Wang Y, Wu J, Yin Y and Han T 2020 IEEE Trans. Dielectr. Electr. Insul. 27 377
[5] Yao T, Chen K, Shao T, Zhang C, Zhang C and Yang Y 2020 IEEE Trans. Dielectr. Electr. Insul. 27 528
[6] Wang T, Li D, Hou Y and Zhang G 2020 High Volt. Eng. 46 4129 (in Chinese)
[7] Chu P, Zhang H, Zhao J, Gao F, Guo Y, Dang B and Zhang Z 2017 Compos. Pt. A-Appl. Sci. Manuf. 99 139
[8] Yang J, Zhu Z, Huang D and Cao Q 2020 Chin. Phys. B 29 023104
[9] An M, Su M, Deng Q, Song H, Wang C and Shang Y 2020 Chin. Phys. B 29 046201
[10] Xu W, Wu Y, Zhu Y and Liang X 2020 Chin. Phys. B 29 046601
[11] Shen X, Wang Z, Wu Y, Liu X, He Y and Kim J 2016 Nano Lett. 16 3585
[12] Wang Z, Lv Q, Chen S, Li C, Sun S and Hu S 2016 ACS Appl. Mater. Interfaces 8 7499
[13] Fasanelia N and Sundararaghavan V 2016 JOM 68 1
[14] Gou J, Minaie B, Wang B, Liang Z and Zhang C 2004 Comput. Mater. Sci. 31 225
[15] Jung H, Choi H, Kim S, Lee H, Kim Y and Yu J 2017 Compos. Pt. A-Appl. Sci. Manuf. 103 17
[16] Diao Z, Zhao Y, Chen B, Duan C and Song S 2013 J. Anal. Appl. Pyrolysis 104 618
[17] Han Z, Zou L, Xin Z, Zhao T and Zhang L 2018 Trans. China Electr. Society 33 4692 (in Chinese)
[18] Zhang Y, Li J, Wang J, Yang X, Shao W, Xiao S and Wang B 2014 RSC Adv. 4 17083
[19] Lu X, Wang X, Li Q, Huang X, Han S and Wang G 2015 Polym. Degrad. Stabil. 114 72
[20] Liu X, Li X, Liu J, Wang Z, Kong B, Gong X, Yang X, Lin W and Li G 2014 Polym. Degrad. Stabil. 104 62
[21] Rahnamoun A and Duin A 2014 J. Phys. Chem. A 118 2780
[22] Li Q, Huang X, Liu T, Yan J, Wang Z, Zhang Y and Lu X 2016 Trans. China Electr. Society 31 1 (in Chinese)
[23] Wang T, Zhang G, Li D and Hou Y 2020 J. Appl. Phys. 128 025101
[24] Shen L, Zou L, Ding M, Zhao T, Zhang L and Li Q 2020 Appl. Surf. Sci. 505 144197
[25] Bandyopadhyay A, Valavala P, Clancy T, Wise K and Odegard G 2011 Polymer 52 2445
[26] Li C and Strachan A 2015 J. Polym. Sci. Pt. B-Polym. Phys. 53 103
[27] Masoumi S, Arab B and Valipour H 2015 Polymer 70 351
[28] Jund P and Jullien R 1999 Phys. Rev. B 59 13707
[29] Plathe F 1997 J. Chem. Phys. 106 6082
[30] Ju S, Haung T, Liao C and Chang J 2013 Polymer 54 4702
[31] Zhang W, Qing Y, Zhong W, Sui G and Yang X 2017 React. Funct. Polym. 111 60
[32] Shokuhfar A and Arab B 2013 J. Mol. Model. 19 3719
[33] Zhang W, Li H, Gao L, Zhang Q, Zhong W, Sui G and Yang X 2018 Polym. Compos. 39 E945
[34] Yang Q, Yang X, Li X, Lei S and Sui G 2013 RSC Adv. 3 7452
[35] Agari Y, Ueda A and Nagai S 1993 J. Appl. Polym. Sci. 49 1625
[36] Agari Y, Ueda A and Nagai S 1991 J. Appl. Polym. Sci. 43 1117
[37] Voyiatzis E, Rahimi M, Muller-Plathe F and Bohm M 2014 Macromolecules 47 7878
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