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局部动态和不均质聚合物网络的故障
Ziyu Ye1, Han Zhang2, Robert A Riggleman2
1Department of Chemistry, University of Pennsylvania, Philadelphia, PA 19104, USA.
Soft matter
|June 5, 2024
概括
不同质的聚合物网络在玻璃和领域表现出独特的移动度梯度. 这些发现推动了具有量身定制的机械和运输性能的先进材料的设计.
科学领域:
- 聚合物科学 聚合物科学
- 材料科学 材料科学 材料科学
- 计算材料科学科学 计算材料科学
背景情况:
- 不同质的交联聚合物通过结合互补材料提供可调节的特性.
- 了解/玻璃网的动态和故障机制对于材料设计至关重要.
研究的目的:
- 研究相界限对微相分离聚合物网络中局部移动性的影响.
- 在单轴延伸下探索这些网络中的微观故障机制.
主要方法:
- 使用粗粒度分子动力学模拟来创建双连续的/玻璃聚合物网络.
- 该研究分析了相位接口的局部移动度梯度,并模拟了变形期间的键断裂.
主要成果:
- 通过相位边界观察到一个不对称的移动梯度,在系统温度在两个Tg值之间时,延伸到更深的下层玻璃过渡温度 (Tg) 阶段.
- 在单轴延伸下,应力最初集中在玻璃状领域,随后是细分动态的同质化和随后的键断裂.
结论:
- 这些发现为不均聚合物网络的结构-性质关系提供了洞察力.
- 这项研究有助于先进的高分子材料的预测设计,这些材料具有增强的机械性能和特定的运输能力.
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