光活化纳米增容两相聚合物共混物:一种测定力学行为的方法。

IF 2.9 2区 化学 Q3 CHEMISTRY, PHYSICAL
The Journal of Physical Chemistry B Pub Date : 2025-07-10 Epub Date: 2025-06-28 DOI:10.1021/acs.jpcb.5c02717
Surbhi Khewle, Pratyush Dayal
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引用次数: 0

摘要

光活化聚合物(LAPs)是一种可变形的材料,能够根据光诱导的化学反应(如顺反异构化和二聚化)改变其形状。由于潜在的光化学反应,这些材料通常表现出类似于多组分/相聚合物共混物的行为。在这项工作中,我们提出了一个基于自由能的理论框架来预测纳米颗粒相容的弹性LAP共混物的力学行为。特别地,我们纳入了畴尺寸和界面面积的影响,并建立了材料在各种加载条件下(即单轴和双轴拉伸)对机械失效的敏感性标准。我们的框架也可以适用于高熵聚合物和热响应或光激活系统,在软机器人、生物医学设备、微力学、4D打印和材料折纸方面具有潜在的应用。此外,通过将我们的模型与物理信息神经网络集成,我们促进了复杂区域几何形状的有效分析,并实现了全面的参数研究。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Photoactivated Nano-Compatibilized Two-Phase Polymer Blends: An Approach for Determining Mechanical Behavior.

Light-activated polymers (LAPs) are shape-shifting materials capable of transforming their shapes in response to photoinduced chemical reactions, such as cis-trans isomerization and dimerization. Owing to the underlying photochemical reaction, these materials often exhibit behavior analogous to multicomponent/phase polymer blends. In this work, we present a free-energy-based theoretical framework to predict the mechanical behavior of nanoparticle-compatibilized elastic LAP blends that exhibit phase separation. In particular, we incorporate the impact of domain sizes and interfacial areas and establish a criterion for the materials' susceptibility to mechanical failure under various loading conditions, namely uniaxial and biaxial stretching. Our framework can also be adapted to high-entropy polymers and thermoresponsive or light-activated systems, with potential applications in soft robotics, biomedical devices, micromechanics, 4D printing, and material origami. Additionally, by integrating our model with physics-informed neural networks, we facilitate efficient analysis of complex domain geometries and enable comprehensive parametric studies.

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来源期刊
CiteScore
5.80
自引率
9.10%
发文量
965
审稿时长
1.6 months
期刊介绍: An essential criterion for acceptance of research articles in the journal is that they provide new physical insight. Please refer to the New Physical Insights virtual issue on what constitutes new physical insight. Manuscripts that are essentially reporting data or applications of data are, in general, not suitable for publication in JPC B.
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