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Mechanical Properties of Semiconducting Polymers
- Root, Samuel Evan
- Advisor(s): Lipomi, Darren J.
Abstract
Mechanical softness and deformability underpin most of the advantages offered by semiconducting polymers. A detailed understanding of the mechanical properties of these materials is crucial for the design and manufacturing of robust, thin-film devices such as solar cells, displays, and sensors. The mechanical behavior of polymers is a complex function of many interrelated factors that span multiple scales, ranging from molecular structure, to microstructural morphology, and device geometry. This thesis builds a comprehensive understanding of the thermomechanical properties of polymeric semiconductors through the development and experimental-validation of computational methods for mechanical simulation. A predictive computational methodology is designed and encapsulated into open-sourced software for automating molecular dynamics simulations on modern supercomputing hardware. These simulations are used to explore the role of molecular structure/weight and processing conditions on solid-state morphology and thermomechanical behavior. Experimental characterization is employed to test these predictions—including the development of simple, new techniques for rigorously characterizing thermal transitions and fracture mechanics of thin films.
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