<p> 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.</p><p>
| Identifer | oai:union.ndltd.org:PROQUEST/oai:pqdtoai.proquest.com:10745535 |
| Date | 26 April 2018 |
| Creators | Root, Samuel E. |
| Publisher | University of California, San Diego |
| Source Sets | ProQuest.com |
| Language | English |
| Detected Language | English |
| Type | thesis |
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