Molecular dynamics simulation of phase transformation of fused silica under nanoparticle impact: The influence of temperature and impact velocity

Shen, Rongqi; Bai, Qingshun; Li, Yuhai; Zhang, Feihu

doi:10.1016/j.commatsci.2019.109169

Cited by 7 publications

(1 citation statement)

References 44 publications

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“…Rahmani and van Duin [20,21] studied the degradation mechanism of polymers, such as epoxy and polyimide, under the impact of atomic oxygen in a low earth orbit based on reactive force field molecular dynamic (ReaxFF MD) simulation. Bai et al [22] carried out MD simulation of the phase transformation of fused silica under nanoparticle impact in high power laser systems. Zhao et al [23] elucidated the microscopic mechanism of the interaction between OH radicals in plasma with biofilms using MD simulation methodology.…”

Section: Introductionmentioning

confidence: 99%

Long-term corona behaviour and performance enhancing mechanism of SiC/epoxy nanocomposite in SF₆ gas environment

Li¹,

Gong²,

Hou³

et al. 2023

Plasma Sci. Technol.

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Surface coating technology is an effective way to solve the interface insulation problem of DC GIS/GIL basin insulators, while the performance of the coating will change greatly, and the insulation strength will be completely lost after long-term service in the extreme conditions of corona erosion. In this research, the multi-needle-plate electrode platform was constructed to explore the long-term service performance of SiC doped nanocomposite exposed to corona discharge in SF6 gas. The samples with high content of SiC have advantages in maintaining physical and chemical properties such as elemental composition, erosion depth, surface roughness and mass loss. The nanocomposite doped with 6wt.% SiC has prominent surface insulation strength after long term exposure to corona, and the others are close to or completely lose their insulating properties. Furthermore, the degradation mechanism of physicochemical properties of composite exposed to corona discharge was investigated with the proposed ReaxFF MD model of energetic particles from SF6 decomposition bombarding the epoxy surface. The reaction process of SF particles and F particles with the cross-linked epoxy resin, and the SiC nanoparticles providing shelter to the surrounding polymer and mitigating their suffering direct bombardment have been grasped. The damage propagation depth, mass loss and surface roughness change of nanocomposite material bombarded by SF6 decomposition products is reproduced in this simulation. Finally, the deterioration mechanism of insulation properties for the SiC doped composite was elucidated with DFT analysis. The band gap of the molecule containing S drops directly from the initial 7.785 eV to 1.875 eV, which causes the deterioration of surface electric properties.

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Section: Introductionmentioning

confidence: 99%

Long-term corona behaviour and performance enhancing mechanism of SiC/epoxy nanocomposite in SF₆ gas environment

Li¹,

Gong²,

Hou³

et al. 2023

Plasma Sci. Technol.

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Evolution of ring structures and method for inhibition in polishing of fused silica

Mu,

Gao,

Yan

et al. 2024

Applied Surface Science

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Molecular dynamics simulation of shock-induced structural change and permanent densification of silica glass: The effect of initial density

Xie

Feng

et al. 2021

Mechanics of Materials

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Molecular dynamics simulation of phase transformation of fused silica under nanoparticle impact: The influence of temperature and impact velocity

Cited by 7 publications

References 44 publications

Long-term corona behaviour and performance enhancing mechanism of SiC/epoxy nanocomposite in SF₆ gas environment

Long-term corona behaviour and performance enhancing mechanism of SiC/epoxy nanocomposite in SF₆ gas environment

Evolution of ring structures and method for inhibition in polishing of fused silica

Molecular dynamics simulation of shock-induced structural change and permanent densification of silica glass: The effect of initial density

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Molecular dynamics simulation of phase transformation of fused silica under nanoparticle impact: The influence of temperature and impact velocity

Cited by 7 publications

References 44 publications

Long-term corona behaviour and performance enhancing mechanism of SiC/epoxy nanocomposite in SF6 gas environment

Long-term corona behaviour and performance enhancing mechanism of SiC/epoxy nanocomposite in SF6 gas environment

Evolution of ring structures and method for inhibition in polishing of fused silica

Molecular dynamics simulation of shock-induced structural change and permanent densification of silica glass: The effect of initial density

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Product

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Long-term corona behaviour and performance enhancing mechanism of SiC/epoxy nanocomposite in SF₆ gas environment

Long-term corona behaviour and performance enhancing mechanism of SiC/epoxy nanocomposite in SF₆ gas environment