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

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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.**