Molecular dynamics simulation of epoxy resin modified by polyimide grafted graphene oxide

Chu, Xiaocheng; Wang, Guoqing; Ding, Qingjun; Zhao, Gai; Li, Huafeng

doi:10.1002/pen.26485

Polymer Engineering & Sci

2023

DOI: 10.1002/pen.26485

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Molecular dynamics simulation of epoxy resin modified by polyimide grafted graphene oxide

Xiaocheng Chu,

Guoqing Wang,

Qingjun Ding

et al.

Abstract: To improve the adhesive performance of epoxy, some modification was conducted for pure epoxy. First, the models of physical blending of polyimide (PI) and graphene sheet (GNS), as well as polyimide (PI) grafted graphene oxide (GO) modified epoxy resin, were established using molecular dynamics (MD) simulations, along with pure epoxy resin, aiming to thoroughly investigate the effects of these two types of modification on the mechanical, thermal properties and adhesive properties of the epoxy resin. Importantly… Show more

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Cited by 6 publications

References 43 publications

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Tuning Interfacial Characteristics of Epoxy Composites Towards Simultaneous High Thermal and Dielectric Properties

Zhong,

Feng,

Zhou

et al. 2024

Macro Chemistry & Physics

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Achieving excellent thermal and dielectric performance is crucial to prevent premature insulation failure of epoxy in high‐frequency transformers. However, interfaces introduced by embedding micro/nano fillers in epoxy have opposite effects on these properties. Here, the interfacial characteristics of micro‐BN/nano‐Al2O3 epoxy is tailored composites by modifying nano‐Al2O3 with functional amine groups, leading to simultaneous improvements in thermal conductivity and high‐frequency breakdown strength. After modification, thermal conductivity increased from 0.193 to 0.490 W m−1 K−1 at 25 °C, and breakdown strength improved from 85.4 to 94.8 kV mm−1 at 10 kHz. The findings revealed the coexistence of overlapping interfaces between micro‐BN and chemical interfaces between modified Al2O3‐NH2 and matrix in composites. Contrary to the overlapping interface, the chemical interface played a more pivotal role in macroscopic performance. Calculations based on a covalent bonding interfacial model demonstrated that this in‐situ tight interface facilitated phonon transport, thereby enhancing thermal conductivity. Besides the physical structure, an increase in electrostatic potential in the chemical interface also impeded charge migration, resulting in an improved breakdown strength. The synergistic effect of the chemical interface on thermal and dielectric properties presents a promising design strategy for developing high‐performance epoxy composites.

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Tuning Interfacial Characteristics of Epoxy Composites Towards Simultaneous High Thermal and Dielectric Properties

Zhong,

Feng,

Zhou

et al. 2024

Macro Chemistry & Physics

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The theoretical and experimental buckling analysis of a nanocomposite beams reinforced by nanorods made of recycled materials

Bargozini,

Mohammadimehr

2023

Polymer Composites

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In this article, the numerical and experimental results for buckling analysis of a nanocomposite beams reinforced by nanorods are studied and compared. The Chebyshev–Ritz method is used to calculate the buckling numerically and compare it with the buckling test. Epoxy resin, glass's fiber, and nanorods are used to make composites. These nanorods are made using recycled materials. Also, bending and tensile tests are used to obtain the properties of these composites. In addition, the effect of various parameters such as Young's modulus, temperature change, Poisson's ratio, and boundary conditions, the strain gradient parameter, and different shape function is investigated. The addition of nanorods increases the strength and stiffness of composites and increases the critical buckling load. Actually, the made nanorods are used as a reinforcement in matrix, thus in the made nanocomposites, fracture and buckling tests are done and the results indicate that the inclusion of nanorods (0.32%) increases the critical buckling load by 16.4%. A facile hydrothermal method to synthesis the nano rodes has a less cost with the other methods, thus by adding a small percentage of it to the composite, the stiffness of the structure increases. According to the results and the significant increase in Young's modulus and critical buckling load and the cost‐effectiveness of carbon nanorods (CNRs) made from recycled materials, these environmentally friendly reinforcements can be used in various industries such as machine body construction, automobile manufacturing, shipbuilding and construction of type's turbines.Highlights Using potato peels and hydrothermal methods, CNRs produced. These CNRs are useful, and production is cheap and no harm environmental. Buckling sample include of glass fiber, without and with CNRs and epoxy resin. Third order shear deformation beam theory and Chebyshev–Ritz are used Theoretical and experimental buckling critical load are compared.

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The preparation and feasibility analysis of magnetic orientation method in the study of thermal insulation composite materials in the field of electronic packaging

You,

Weng,

et al. 2024

Polymer Composites

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As an emerging field of current technological development, the heat dissipation performance of electronic packaging materials has become the key to determining product reliability. Therefore, the applied thermal interface materials (TIMs) need to simultaneously meet the performance indicators of thermal conductivity, mechanics, and insulation. Although BN had excellent in‐plane thermal conductivity and insulation performance, it is currently difficult to achieve vertical orientation of powder which leads the layered powder cannot complete a continuous and effective heat transfer path along the Z‐axis direction inside the composite material. In order to solve the above two problems, out‐of‐plane thermal conductive composite was prepared by introducing magnetic oriented method. In order to comprehensively evaluate the thermal conductivity, mechanical and electrical properties, BN@Fe3O4/EP magnetic oriented composites were compared with BN@PDA‐Al2O3/EP composite prepared by mechanical blending method. The vertical thermal conductivity of the magnetic oriented composite material was 2.24 W/(m·K) at 30 vol%, which was 3.39 times that of the blended composite material and 12.4 times that of pure EP. This proves that the magnetic oriented composite materials prepared by the research institute can meet the vertical heat transfer needs in the field of electronic packaging and have high research value in this area.Highlights BN@Fe3O4 core–shell particles were prepared with both thermal conductivity and magnetic controllability. The thermosetting composites were prepared by heated through preliminary gel point and then cured at high temperature. The orientation of powder inside the matrix was constructed, resulted in excellent out‐of‐plane heat transfer performance. Comparisons were made between various properties of magnetic oriented materials and conventional blend materials. The magnetic orientation method is feasible in the field of electronic packaging.

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Molecular dynamics simulation of epoxy resin modified by polyimide grafted graphene oxide

Cited by 6 publications

References 43 publications

Tuning Interfacial Characteristics of Epoxy Composites Towards Simultaneous High Thermal and Dielectric Properties

Tuning Interfacial Characteristics of Epoxy Composites Towards Simultaneous High Thermal and Dielectric Properties

The theoretical and experimental buckling analysis of a nanocomposite beams reinforced by nanorods made of recycled materials

The preparation and feasibility analysis of magnetic orientation method in the study of thermal insulation composite materials in the field of electronic packaging

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