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模拟粒子增强复合材料中矩阵/填充器接口的衰老和粘合性能

Zebin Chen¹, Xueren Wang^1,2, Zijie Zou^1,3

¹Zhijian Laboratory, Rocket Force University of Engineering, Xi'an 710025, China.

|June 13, 2025

概括

在乙烯塑化聚乙烯 (NEPE) 推进剂中老化涉及交叉连接和分解. 越来越多的交叉连接会使材料变硬,而分解会增强分子的移动性和界面结合.

科学领域:

材料科学材料科学材料科学
化学工程是化学工程的重要组成部分.
聚合物科学聚合物科学

背景情况:

像酸乙烯塑化聚乙烯 (NEPE) 推进剂这样的高能材料的老化导致了界面的变化.
露",影响性能和安全.
了解这种衰老的微观机制对于材料的稳定性至关重要.

研究的目的:

研究NEPE推进剂中因衰老引起的界面解的微观机制.
将衰老过程解为交联密度演变和酸分解.

主要方法:

采用分子动力学 (MD) 模拟来建模NEPE推进剂矩阵和矩阵/填充剂接口在不同的老化程度.
计算的关键参数:交联密度,机械性能,自由体积,扩散系数,界面结合能量和辐射分布函数 (RDF).

主要成果:

增加交叉连接密度会增强矩阵刚性,抑制移动性,最初增加,然后减少界面绑定能量.
酸盐分解扩大了自由体积,提高了结合剂的移动性,并加强了界面结和范德瓦尔斯相互作用.
少量粘合剂可以提高界面能量,但不会改变老化趋势.

结论:

交叉连接和分解都在NEPE推进剂老化过程中显著影响了接口完整性.
分解似乎可以通过增强的分子流动性和相互作用来减轻交叉连接对界面结合的一些负面影响.
有针对性的使用粘合剂可以提供最初的改善,但不会否定基本的衰老机制.

关键词:

粘合剂接口接口的使用方法约束的能量约束的能量分子动力学模拟模拟用颗粒增强复合材料的复合材料

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