聚合物网络中的空间和拓缺陷的相互作用
B Ruşen Argun1, Antonia Statt2
1Mechanical Engineering, Grainger College of Engineering, University of Illinois, Urbana-Champaign, Champaign, Illinois 61801, United States.
概括
聚合物网络中的异质性显著改变了它们的结构和机械性能. 空间多样化的交叉连接器分布减少了循环并影响了机械强度,突出了网络缺陷的重要性.
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
- 计算化学计算化学
背景情况:
- 聚合物网络在各种应用中至关重要,具有可预测的形成和凝点.
- 空间和拓异质性对聚合物网络结构和机械性能的影响仍然不太清楚.
研究的目的:
- 研究空间和拓异质性对聚合物网络结构的影响.
- 用in silico方法分析具有受控缺陷的聚合物网的机械性能.
主要方法:
- 产生有控制的空间和拓缺陷的in silico随机聚合物网络.
- 空间和拓异质度的系统变化.
- 模拟分子动力学以评估机械性能.
主要成果:
- 与同质网络相比,空间异质网络显示了较少的初级循环.
- 尽管异质网络具有更弹性活跃的链,但异质网络具有较低的断裂延伸和最大应力.
- 异质网络显示的剪切模块 (刚度) 比同质网络和理论预测更高.
结论:
- 拓环缺陷和空间异质性显著影响聚合物网络结构.
- 这些异质性导致不同的机械性能,影响网络性能.
- 了解异质性是为特定应用量身定制聚合物网络行为的关键.
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