ACT/SGER: Optimizing the Structure of Polymeric Composites for Enhanced Electrical and Mechanical Performance

通过理论和模拟，我们的总体目标是设计出具有最佳导电性和机械完整性的轻质复合材料。这些特性对于制造便携式和耐用的电子设备至关重要。被检测的材料包括有机聚合物和无机纳米颗粒。由此产生的纳米复合材料将聚合物的灵活性和加工性与颗粒的电磁性能结合在一起。我们特别关注涉及不同聚合物以及纳米颗粒混合物的混合物。在这些系统中，我们可以利用聚合物-聚合物、聚合物-颗粒和颗粒-颗粒相互作用来操纵材料的结构。特别是，我们的目标是利用这些相互作用来驱动纳米颗粒在非常低的体积分数下形成渗流结构。这种渗流网络不仅允许电流流过材料，而且还增强了聚合物基质。渗流阈值的降低将导致重量和成本的降低。预计这些发现将使我们能够在组分的纳米结构、混合物的介观形态和材料的宏观电/机械性能之间建立基本的关联。这些研究还将阐明加工如何影响表面形态和宏观性能。通过参与这些研究活动，参与该项目的学生和博士后研究员将获得纳米技术的背景和培训。这种专业知识将使他们更有资格满足行业、国家实验室和学术界的需求。数学和物理科学局的反恐方法方案支持基础研究和劳动力发展方面的新概念，有可能对国家安全作出贡献。特别是，这些发现将促进柔性、轻质和高能量密度纳米复合材料的发展，这些复合材料可以用于制造便携式电子和光子设备。

Using theory and simulation, our overall goal is to design lightweight composites that exhibit optimal electrical conductivity and mechanical integrity. These characteristics are vital in the fabrication of portable and durable electronic devices. The materials to be examined consist of organic polymers and inorganic nanoparticles. The resulting nanocomposites integrate the flexibility and processability of the polymers and the electromagnetic properties of the particles. We specifically focus on mixtures that involve blends of different polymers, as well as the nanoparticles. In these systems, we can exploit the polymer-polymer, polymer-particle and particle-particle interactions to manipulate the structure of the material. In particular, our aim is to harness these interactions to drive the nanoparticles to form percolating structures at very low volume fractions. Such percolating networks not only allow current to flow through the material, but also reinforce the polymeric matrix. A reduction in the percolation threshold results in both weight and cost reductions.It is anticipated that the findings will allow us to establish fundamental correlations between the nanoscopic structures of the components, the mesoscopic morphology of the mixture, and the macroscopic electrical/mechanical properties of the material. The studies will also elucidate how processing affects both the morphology and macroscopic properties. By engaging in these research activities, the students and post-doctoral fellows involved in the project will obtain a background and training in nanotechnology. This expertise will make them better qualified to meet the demand within industry, national labs and academics. The Approaches to Combat Terrorism Program in the Directorate for Mathematics and Physical Sciences supports new concepts in basic research and workforce development with the potential to contribute to national security. In particular, the findings will facilitate the development of flexible, lightweight and high energy density nanocomposites, which can be utilized in fabricating portable electronic and photonic devices.