Collaborative Research: Engineering Polymer Nanodielectric Systems Using a Descriptor-Based Design Methodology

该合作研究项目的目标是开发一种以微结构为中介的设计方法，提供设计优化、预测材料建模、加工和表面工程的无缝集成，以加快新材料的发现和开发。通过工程设计、力学和材料科学专家的协同作用，基于描述符的计算微结构设计框架以及理论、计算和实验相结合的方法来设计具有定制系统特性的新微结构系统。使用新兴的纳米介电聚合物系统作为试验台，最终的概念验证将存在于填料形态、相间属性和化学组合的设计中，以实现广泛的工程应用的特定机械和介电性能。计算微结构设计框架将创造一个转变，从基于发现的材料开发转向系统和计算机辅助的材料设计。这项研究还将在基于物质组分相互作用的相间行为预测方面取得重大进展。这项研究的结果可能会通过创新用于电力传输和存储系统的新型纳米介电聚合物产生重要的社会影响，这些系统涉及广泛的行业，如公用事业、能源、消费电子和制造业。由于这项研究为微结构材料系统的设计提供了一种通用的方法，该技术将超越更广泛的应用，并有利于广泛的国内和军事应用。为了向更广泛的社区传播这些成果，将组织一次关于“新兴微结构材料系统的设计”的讲习班。研究将与教育相结合，学生将有机会参与提供创新和领导经验的跨学科材料系统设计项目。

The objective of this collaborative research project is to develop a microstructure-mediated design methodology that provides a seamless integration of design optimization, predictive materials modeling, processing and surface engineering, to enable accelerated discovery and development of new materials. Through the synergy of experts in engineering design, mechanics, and materials science, a descriptor-based computational microstructure design framework and a combined theoretical, computational, and experimental approach to design new microstructural systems with tailored system properties. Using emerging nanodielectric polymer systems as a testbed, final proof of concept will reside in design of filler morphology, interphase properties, and chemistry combinations for achieving specific mechanical and dielectric properties for a wide range of engineering applications. The computational microstructure design framework will create a shift from discovery-based materials development to systematic and computer-assisted materials design. This research will also make significant strides in predicting interphase behavior based on interaction of material constituents. The results of this research could have important societal impact through innovations of new nanodielectric polymers used in electrical transmission and storage systems across a wide range of industries such as utility, energy, consumer electronics, and manufacturing. Since this research provides a general methodology for designing microstructural material systems, the techniques will transcend to broader applications and benefit a wide range of domestic and military applications. To disseminate the results to a broader community, a workshop on "Design of Emerging Microstructural Material Systems" will be organized. Research will be integrated with education and students will have the opportunity to participate in interdisciplinary materials system design projects that offer innovation and leadership experiences.