Molecular dynamics simulation of improving the physical properties of polytetrafluoroethylene cable insulation materials by boron nitride nanoparticle under moisture-temperature-electric fields conditions

Abstract

The physical properties in amorphous regions are important for the insulation aging assessment of polytetrafluoroethylene (PTFE) cable insulation materials. In order to study the effect of boron nitride (BN) nanoparticles on the physical properties of PTFE materials under moisture, temperature, and electric fields conditions at the molecular level, the amorphous region models of PTFE, BN/PTFE, water/PTFE, and water/BN/PTFE were respectively constructed by molecular dynamics (MD) simulation. The mechanical properties including Young's modulus, Poisson's ratio, bulk modulus, and shear modulus, along with glass transition temperature, thermal conductivity, relative dielectric constant, and breakdown strength of the four models have been simulated and calculated. The results show that the mechanical properties and the glass transition temperature of PTFE are reduced by the injection of water molecules, whereas the same, along with the thermal conductivity, are improved by incorporating BN nanoparticles. Moreover, thermal conductivity is further improved by the surface grafting of BN nanoparticles. With the increase of temperature, the mechanical properties and the breakdown strength of PTFE decrease gradually, whereas the thermal conductivity increases linearly. The injection of water molecules increases the water content in the PTFE materials, which causes a gradual increase in its relative dielectric constant. This work has shown that this effect is significantly reduced by incorporation of BN nanoparticles. The variation of physical properties for PTFE and its composites under the action of moisture, temperature, and electric fields is of great significance to the study of wet, thermal, and electrical aging tests as well as the life prediction of PTFE cable insulation materials.