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

其目标是开发新的计算和分析模型，以确定限制在两个硬表面之间的嵌段共聚物/纳米颗粒混合物的平衡形态，从而建立通过自组装创建纳米结构有机/无机薄膜的指导方针。含有多层有机聚合物和无机粒子的薄膜可以同时显示纳米粒子的光学、电、磁和机械性能以及聚合物的加工性和灵活性。实际上，聚合物层和无机纳米颗粒的相互作用可以产生耐用、柔韧和轻质的高能量密度薄膜。这些薄的纳米复合材料形成了制造便携式电池、光伏设备和传感器的材料。拟议的研究将产生更广泛的影响，促进以低成本、高效率的方法制造具有重要技术价值的材料。我们的研究结果将减少通过缓慢、多步骤、逐层(LBL)沉积或吸附过程来创建纳米复合薄膜的需求。特别是，这项研究将为在最少的工艺步骤中创建空间有序的纳米复合材料薄膜提供指导，这些步骤仅依赖于自组装。此外，这些薄膜可以展示各种结构，而不仅仅是LBL方法通常产生的层状结构。各种形貌的纳米复合薄膜的制备可以使涂层具有新的功能。在满足ACT公告所概述的关键需求方面，这些研究的结果也有可能有助于国家安全。例如，拟议研究的一个目标是设计包含由纳米级聚合物结构域分隔的周期性粒子“纳米线”阵列的薄膜。这种轻质、高能量密度的材料对于制造可供野战士兵使用的便携式电子、光子和传感设备至关重要。该奖项由美国国家科学基金会和情报界共同支持。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。

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.