ACT/SGER: Modeling the Morphology and Phase Behavior of Organic/Inorganic Nanocomposite Thin Films

我们的目标是开发新的计算和分析模型，以确定嵌段共聚物/纳米粒子的混合物，被限制在两个硬表面之间的平衡形态，从而建立通过自组装创建纳米结构的有机/无机薄膜的指导方针。 含有有机聚合物和无机颗粒层的薄膜可以表现出纳米颗粒的光学、电学、磁学和机械性能以及聚合物的可加工性和柔性。 实际上，聚合物和无机纳米颗粒层的夹层可以产生具有高能量密度的耐用、柔性和轻质的膜。 这些薄的纳米复合材料形成用于制造便携式电池、光伏器件和传感器的材料。拟议的研究将通过促进以具有成本效益的高效方法制造技术上重要的材料而产生更广泛的影响。 我们的研究结果将减轻通过缓慢、多步、逐层（LBL）沉积或吸附过程创建纳米复合薄膜的需求。 特别是，这项研究将提供指导方针，用于在最少数量的仅依赖于自组装的加工步骤中创建空间有序的纳米复合材料薄膜。 此外，这些膜可以显示各种架构，而不仅仅是通常由LBL方法产生的层状结构。 具有各种形貌的纳米复合膜的制备可以导致具有新功能的涂层。 在解决ACT公告概述的关键需求时，这些研究的结果也有可能为国家安全做出贡献。 作为一个例子，所提出的研究的一个目标是设计包含颗粒“纳米线”的周期性阵列的薄膜，这些纳米线被纳米级聚合物域分开。 这种重量轻、能量密度高的材料对于制造可供士兵在战场上使用的便携式电子、光子和传感设备至关重要。 该奖项由NSF和情报界共同支持。 数学和物理科学局的打击恐怖主义办法方案支持基础研究和劳动力发展方面的新概念，这些概念有可能促进国家安全。

The goal is to develop new computational and analytical models to determine the equilibrium morphologies of block copolymer/nanoparticle mixtures that are confined between two hard surfaces and thereby establish guidelines for creating nanostructured organic/inorganic thin films through self-assembly. Thin films that contain layers of organic polymers and inorganic particles can exhibit both the optical, electrical, magnetic and mechanical properties of the nanoparticles and the processibility and flexibility of the polymers. In effect, the interleafing of layers of polymers and inorganic nanoparticles can yield durable, flexible, and lightweight films with high energy densities. These thin nanocomposites form materials for fabricating portable batteries, photovoltaic devices and sensors.The proposed studies will have a broader impact by facilitating the fabrication of technologically important materials in cost-effective, efficient methods. The results of our studies will alleviate the need for creating nanocomposite thin films through slow, multi-step, layer-by-layer (LBL) deposition or adsorption processes. In particular, the research will provide guidelines for creating spatially ordered nanocomposites films in a minimal number of processing steps that rely solely on self-assembly. Furthermore, these films can display a variety of architectures, not just the lamellar structures that are typically produced by LBL methods. The fabrication of nanocomposite films with various morphologies can lead to coating with new functionalities. In addressing critical needs outlined by the ACT announcement, the results of these studies also have the potential to contribute to national security. As an example, one aim of the proposed research is to design thin films that contain a periodic array of particle "nanowires", which are separated by nanoscale polymer domains. Such lightweight, high energy density materials are vital for the fabrication portable electronic, photonic and sensing devices that can be used by soldiers in the field. This award is supported jointly by the NSF and the Intelligence Community. 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.