Effect of Moisture on the Breakdown Performance of XLPE Insulation: A First-Principles Study

Jin Liu, Wei Wang, Mingche Hu
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Abstract

Traditionally, the research on the breakdown performance of XLPE mostly adopts experimental methods. This article attempts to study the influence of moisture on the breakdown performance of XLPE and the mechanism of action based on first principles and calculation methods. The Monte Carlo method was used to build a pure XLPE amorphous region unit cell model and simulate the damp condition of XLPE by adding water molecules. The geometry optimization and single point energy and band structure calculation were performed for above models by using the plane wave pseudopotential method. Some parameters, including the maximum displacement, maximum stress, total ground state energy, band gap and bond length, were calculated to study the effect of moisture on the breakdown performance of XLPE insulation. The calculation and analysis results show that for the cross-linked polyethylene model without moisture, as the external electric field intensity increases, the total energy gradually decreases, the band gap will be narrower, and the chemical bond length at the cross-linking position becomes larger. While the electric field intensity reaching a certain level, some C-H bonds and C-C bonds will be separated. It is shown that the molecular structure of XLPE was destroyed under strong electric field, and the breakdown performance of XLPE material deteriorated. Compared with the above model, for crosslinked polyethylene model containing water, the ground state energy decreased significantly, band gap was narrower, indicating that the existence of water molecule can reduce XLPE breakdown strength. The total energy and band gap show the declining trend and chemical crosslinking position bond length is larger as well with the increase of electric field intensity.
水分对交联聚乙烯绝缘击穿性能影响的第一性原理研究
传统上对XLPE击穿性能的研究多采用实验方法。本文试图从第一性原理和计算方法出发,研究水分对交联聚乙烯击穿性能的影响及其作用机理。采用蒙特卡罗方法建立了纯XLPE非晶区单晶模型,并通过加入水分子模拟了XLPE的受湿状态。利用平面波伪势法对上述模型进行了几何优化和单点能量带结构计算。通过计算最大位移、最大应力、总基态能、带隙和键长等参数,研究了水分对交联聚乙烯绝缘击穿性能的影响。计算分析结果表明,对于无水分的交联聚乙烯模型,随着外加电场强度的增大,总能量逐渐减小,带隙变窄,交联位置的化学键长度变大。当电场强度达到一定程度时,一些C-H键和C-C键会分离。结果表明,在强电场作用下,XLPE的分子结构被破坏,XLPE材料的击穿性能变差。与上述模型相比,对于含水的交联聚乙烯模型,基态能量明显降低,带隙变窄,说明水分子的存在会降低交联聚乙烯的击穿强度。随着电场强度的增加,总能和带隙呈下降趋势,化学交联位置键长也增大。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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