在二维环聚合物中出现玻璃性:刚性和拥挤的相互作用
Sayantan Ghosh1,2, Satyavani Vemparala1,2, Pinaki Chaudhuri1,2
1The Institute of Mathematical Sciences, C.I.T. Campus, Taramani, Chennai 600113, India.
The Journal of chemical physics
|January 5, 2024
概括
增加的压力会减缓环聚合物的动力. 灵活的环形成球形状,而硬的环则形成定向秩序,揭示了通往玻璃状状态的独特途径.
科学领域:
- 聚合物物理 聚合物物理
- 软物质物理学 软物质物理学
- 计算材料科学科学 计算材料科学
背景情况:
- 了解聚合物的玻璃动态对于材料设计至关重要.
- 与线性链相比,环聚合物具有独特的结构性质.
- 外界压力对聚合物动态的影响是研究的一个关键领域.
研究的目的:
- 为了研究环刚性和压力对二维环聚合物的玻璃动态的影响.
- 为了确定控制这些系统的平衡动态的相空间.
- 阐明对比的机制,驱使系统走向基于环形变形性的玻璃状态.
主要方法:
- 使用了广泛的粗粒度分子动力学模拟.
- 该研究分析了不同压力和戒指刚度的影响.
- 单体密度和环刚度是研究的关键参数.
主要成果:
- 随着压力增加,始终观察到动态减速.
- 根据单体密度和环刚度确定了平衡动力学的相位空间.
- 灵活的环 (低刚度) 通过聚合物挤压和球形形成表现出玻璃性.
- 刚性环 (高刚性) 显示在紧缩过程中出现了局部定向排序域.
结论:
- 环形变形性显著影响玻璃过渡的机制.
- 柔性和刚性环聚合物显示对比的路径,以达到玻璃状状态.
- 该研究提供了通过结构和外部参数控制聚合物动态的见解.
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