分子动力学模拟在环氧基复合材料中的应用

Application of molecular dynamics simulation in epoxy matrix composites

综述了分子动力学模拟在环氧基复合材料研究中的应用以及模拟结果的有效性,概叙了分子动力学模拟中应用的几种分子力场,以及固化剂的选择对固化材料的密度、热机械性能及玻璃化转变温度(T_g)的影响,并对分子动力学模拟的发展趋势作了展望。

In this paper, the application and effectiveness of molecular dynamics simulation in the study of epoxy matrix composites were reviewed. Several molecular force fields applied in molecular dynamics simulation were summarized. The effect of different curing agents on the density, thermomechnical properties and glass transition temperature of the cured materials were discussed in detail. Finally, the development trend of molecular dynamics simulation was also prospected.