Study of Model Construction Methods for Epoxy Resin Composites

Doping of micro-nano fillers is an important means to regulate the comprehensive properties of epoxy resin. The type, concentration, distribution and other characteristics of fillers all play a key role in improving the macroscopic properties of epoxy composites. The development of molecular simulation technology provides good technical support for studying the microscopic interaction mechanism between fillers and matrix inside epoxy composites. This chapter focuses on the construction and simulation calculation methods of molecular dynamics models of epoxy composites modified by doping with different fillers. The influence of filler type, morphology, concentration, distribution and surface functional group grafting on the properties of epoxy composites was systematically analyzed. The effect mechanism of micro-nano fillers on the macroscopic properties of epoxy composites was studied from the molecular scale. The contents of this chapter provide new ideas and research methods for in-depth exploration of the mechanisms and methods for improving the comprehensive performance of epoxy composites.