摘要
形状记忆环氧树脂是制备可展开空间结构的重要材料之一,通过分子动力学模拟预测环氧树脂的形状记忆性能是设计与制备形状记忆环氧树脂的有效指导手段。在pcff力场下,通过分子动力学模拟方法,构建了交联度分别为36%、48%、59%、72%和84%的三乙烯四胺固化的双酚A环氧树脂聚合物模型,并模拟计算了其玻璃化转变温度、力学性能及形状记忆性能。结果表明,不同交联度的环氧树脂聚合物模型均表现出较好的形状固定率,为80%~86%;分析聚合物模型的x、y、z三轴回复性可知,36%交联度的环氧树脂不具有形状记忆性能,48%交联度的环氧树脂形状记忆性能较差,而59%、72%、84%交联度的环氧树脂的形状回复率均能达到80%以上,具有良好的形状记忆性能,且交联度越高形状回复速度越慢。
Shape memory epoxy resin is one of the key materials for preparing space-deployable structures.The prediction of shape memory properties of epoxy resin by molecular dynamics simulation is an effective guide for designing and preparing shape memory epoxy resin.Here,the DGEBA-TETA polymer models with different crosslinking degrees involving 36%,48%,59%,72%and 84%were constructed for calculating the glass transition temperature,mechanical properties,and shape memory characteristics via molecular dynamics simulation under pcff force field.It was found that all the epoxy resin with different crosslinking degree presented good structure fixed rate ranging from 80%to 86%.According to the triaxial of the polymer model,the epoxy resin with a crosslinking degree of 36%did not present the shape memory property,and the shape memory property of 48%crosslinked epoxy resin was poor.While,a crosslinking degree at the level of 59%,72%,and 84%respectively can all form good shape memory performance,whose shape recovery rate can reach 80%.It was also found that the crosslinking degree of resin was higher,its shape recovery speed was slower.
作者
张永熠
张学军
曹洪硕
邢悦
孙江曼
田艳红
ZHANG Yongyi;ZHANG Xuejun;CAO Hongshuo;XING Yue;SUN Jiangman;TIAN Yanhong(Beijing University of Chemical Technology,Beijing 100029,China;National Innovation Institute of Defense Technology,Academy of Military Sciences,Beijing 100071,China)
出处
《智能安全》
2024年第2期20-28,共9页
Artificial Intelligence Security
关键词
分子动力学模拟
形状记忆环氧树脂
交联度
玻璃化转变温度
molecular dynamics simulation
shape memory epoxy
degree of crosslinking
glass-transition temperature