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

本研究将探讨高分子复合材料的材料与结构多功能性。具体而言，该研究将侧重于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，其中包括它们的电学，热学和机械性能。例如，石墨烯等填料已在过去的项目中与环氧树脂和聚氨酯聚合物结合使用。在本研究计划中，多功能聚合物复合材料被定义为具有增强性能和/或新特性的材料。目标是实现特定的性能增强，而不会损害其他重要的材料特性（例如，提高导热性，降低机械性能）。在以前的研究中，申请人的小组已经研究了使用填料改性聚合物的压力设备中的结构健康监测的新概念。这项工作具有高度的工业和科学意义。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多的机会。在这种情况下，建议扩大建模工作的填料改性聚合物的机械和物理性能的预测，使用随机（如蒙特卡罗）和数值（如有限元）的方法。这样的技术通常假定均匀的填料分散和分布。然而，新兴的实验研究表明，可以通过一定程度的填料聚集/絮凝和排列来实现显着的性能增强。目前尚不清楚什么程度的聚合和对齐导致最大的性能增强。为了捕捉这些影响，建议开发多域建模方法。与单个填料颗粒直接相关的过程，例如电导率背景下的电子隧穿，可以方便地使用纳米域进行评估。通过添加介观域建模方法，将捕获聚集/絮凝效应，从而允许通过代表性体积单位预测散装材料行为。该单元将由更小的子域组成，这些子域有助于某些区域的填料致密化。拟议的工作是相当大的科学相关性，这可能会产生显着的研究成果的传播，以及指导应用研究。所需的计算和实验设施是可用的。通过这项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.