The degradation at the glass fiber/matrix interface through molecular dynamics simulations in hygrothermal environment is investigated. The glass fiber reinforced polymer composite has been modeled using a cross-linked epoxy matrix and amorphous silica substrate. The degradation mechanism in hygrothermal environment is indicated through the reduction of decreased adhesion energy and the weakened intermolecular interactions with the consideration of hydration bond. Furthermore, softened epoxy molecules in hygrothermal conditioning possess a lower density near the fiber surface, which inhabits the stress transfer between fiber and matrix, eventually leading to the deteriorated interfacial adhesion. Our simulation results echo with the experimental measurements, which can be further calibrated and utilized as inputs in micromechanical models to bridge the gap between the macroscopic and microscopic behavior of civil infrastructures.

通过湿热环境中的分子动力学模拟研究了玻璃纤维/基质界面处的降解。玻璃纤维增​​强的聚合物复合材料已使用交联的环氧基质和无定形二氧化硅基质进行了建模。湿热环境中的降解机理通过考虑水合键的减少的粘附能的减少和分子间相互作用的减弱来表明。此外，在湿热条件下软化的环氧分子在纤维表面附近具有较低的密度，这会在纤维和基质之间产生应力转移，最终导致界面粘合性下降。我们的模拟结果与实验测量结果相呼应，