玻璃形成和模型聚合物薄膜的动态与一个对两个活性接口
Asieh Ghanekarade1, David S Simmons1
1Department of Chemical, Biological, and Materials Engineering, The University of South Florida, Tampa, Florida, USA. dssimmons@usf.edu.
Soft matter
|October 25, 2023
概括
玻璃形成液体动力学在接口附近被改变在纳米范围. 模拟显示这些动态梯度被中性表面截断,其行为由梯度主导,而不是有限大小的效应.
科学领域:
- 材料科学 材料科学 材料科学
- 聚合物物理 聚合物物理
- 软物质物理学 软物质物理学
背景情况:
- 聚合物和形成玻璃的液体在接口附近表现出显著的动态变化,超出了典型的热力学梯度.
- 了解这些动态在纳米封闭系统中是复杂的,在这些系统中,多个接口相互作用.
研究的目的:
- 在纳米封闭环境中研究形成玻璃的聚合物薄膜的动力学.
- 了解动态梯度如何受到接口和薄膜厚度的影响.
- 在薄膜中区分梯度效果和有限尺寸效果.
主要方法:
- 用不同厚度的聚合物薄膜进行分子动力学模拟.
- 在中性基板上的支膜与独立的膜进行比较.
- 对转化放松的分析,以量化动态梯度.
主要成果:
- 聚合物薄膜中的动态梯度被动态中性表面截断.
- 电影的行为主要由渐变效应控制,直到模拟的最薄的电影.
- 在模拟范围中没有观察到有限大小效应的证据.
结论:
- 纳米封闭聚合物薄膜中的动态梯度是可预测的,主要受到接口相互作用的影响.
- 该研究验证了在薄聚合物薄膜中对有限尺寸效应的梯度效应.
- 模拟预测了薄膜厚度和放松时间分布宽度之间的非单调关系,提供了潜在的实验验证方法.
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