Improving the understanding of filler-modified multifunctional polymers for conventional and renewable energy sector applications

这项研究将探讨聚合物复合材料的材料和结构的多功能性。具体地说，研究将集中在二元和三元微米和纳米填料改性聚合物的预测和模型验证，包括它们的电、热和机械性能。例如，石墨烯等填充物在过去的项目中曾与环氧树脂和聚氨酯聚合物一起使用。在本研究项目中，多功能聚合物复合材料被定义为具有增强的性能和/或新颖的特性的材料。其目标是实现在不损害其他重要材料特性的情况下不会发生的特定性能增强(例如，提高导热性但降低机械性能)。在之前的研究中，申请人的团队研究了使用填料改性聚合物的压力设备中结构健康监测的新概念。这项工作具有很高的工业和科学意义。在结构设计和制造等应用研究方面得到了强有力的研究支持。通过目前的赠款提案，旨在加强对这一主题的基础研究，这为扩大对多功能复合材料设计和制造的理解提供了相当大的机会。在此背景下，建议扩大使用随机(如蒙特卡罗)和数值(如有限元)方法预测填充改性聚合物的力学和物理性质的建模工作。这种技术通常假定填料分散和分布均匀。然而，新出现的实验研究表明，通过一定程度的填料聚集/絮凝和排列可以实现显著的性能增强。目前尚不清楚聚合和对齐的程度会导致最大程度的属性增强。为了捕捉这些影响，建议开发多领域建模方法。与单个填料颗粒直接相关的工艺，例如在电导性方面的电子隧穿，可以方便地使用纳米域来评估。通过增加介观区域建模方法，将捕捉聚集/絮凝效应，从而允许通过代表性的体积单位来预测散体材料的行为。该单元将由更小的子域组成，以促进某些区域的填充物致密化。拟议的工作具有相当大的科学相关性，很可能产生传播著名研究成果以及指导应用研究的结果。有必要的计算和实验设施。通过这笔赠款寻求的支持将为四名研究生和最多四名本科生提供培训。

This study will investigate the material and structure multifunctionality of polymer composites. Specifically, the research will focus on the prediction and model validation of binary and ternary micro- and nano-filler modified polymers, which includes their electrical, thermal and mechanical properties. For example, fillers such as graphene have been used in past projects in conjunction with epoxy and polyurethane polymers. In this research program, multifunctional polymer composites are defined as materials with enhanced performance and/or novel characteristics. The goal is to achieve specific property enhancements that do not occur at the detriment to other important material characteristics (e.g. improved thermal conductivity with reduced mechanical performance). In previous studies, the applicant's group has investigated novel concepts for structural health monitoring in pressure equipment using filler-modified polymers. This work has high industrial as well as scientific relevance. Strong research support has been received for applied research aspects such as structure design and manufacturing. Through the current grant proposal, it is sought to enhance fundamental research on this subject matter, which offers considerable opportunities for broadening the understanding for multifunctional composite design and manufacturing. In this context, it is proposed to expand modelling work for the prediction of mechanical and physical properties of filler-modified polymers using stochastic (e.g. Monte Carlo) and numerical (e.g. finite element) approaches. Such techniques generally assume a homogeneous filler dispersion and distribution. However, emerging experimental studies suggest that significant property enhancements can be achieved by some degree of filler aggregation/flocculation and alignment. It is currently unclear what degree of aggregation and alignment leads to maximum property enhancements. To capture these effects, it is proposed to develop multi-domain modelling approaches. Processes that are directly related to individual filler particles, such as electron tunneling in the context of electrical conductivity, are conveniently evaluated using a nano-domain. Through the addition of a meso-domain modelling approach, aggregation/flocculation effects are to be captured allowing for the prediction of the bulk material behaviour through a representative volume unit. This unit will be composed from smaller sub-domains that facilitate filler densification for certain regions. The proposed work is of considerable scientific relevance, which is likely to yield the dissemination of notable research findings as well as guide the applied research. The required computational and experimental facilities are available. The support sought through this grant will provide training for four graduate and up to four undergraduate students.