Molecular Dynamics Simulations of Interface Properties and Key Physical Properties of Nanodielectrics Manufactured With Epoxy Resin Doped With Metal Nanoparticles

In this work, we apply a molecular dynamics simulation of Ag-nanoparticle-doped epoxy resin to analyze in depth the micro-mechanisms in this nanodielectric. The simulation results show that when Ag nanoparticles with a radius of 10Å are used as dopants, the periodically arranged atoms in a ~4.5-Å-thick surface layer of the nanoparticles have become amorphous. This modification of the interface depends on temperature and nanoparticle size and leads to an interface polarization layer that changes the relative permittivity of the epoxy matrix. Moreover, a simulation indicates that doping with Ag nanoparticles can improve certain thermal and mechanical properties. However, the interface properties have little effect on the thermal and mechanical properties of nanodielectrics, which may depend only on the thermal and mechanical properties of the doped material itself, the doping concentration, or the microstructure of the nanodielectrics. The innovation of this article lies in the study of the microstructure characteristics of the nanodielectric and the changes of some key physical parameters at the nanoscale by means of molecular simulation. It provides a more efficient research idea for the traditional, experimental-based nanodielectric field. Our results may help in the analysis of nanodielectrics and insulating materials, and they suggest that doping with Ag nanoparticles may improve the thermal and mechanical performance of dielectrics.