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- All Subjects: Computational Chemistry
- All Subjects: Physics
- All Subjects: Origami
- Creators: Zhuang, Houlong
The goal of this experiment was to examine the energy absorption properties of origami-inspired honeycomb and standard honeycomb structures. These structures were 3D printed with two different materials: thermoplastic polyurethane (TPU) and acrylonitrile butadiene styrene (ABS). Quasi-static compression testing was performed on these structures for both types and materials at various wall thicknesses. The energy absorption and other material properties were analyzed for each structure. Overall, the results indicate that origami-inspired structures perform best at energy absorption at a higher wall thickness with a rigid material. The results also indicated that standard honeycomb structures perform better with lower wall thickness, and also perform better with a rigid, rather than a flexible material. Additionally, it was observed that a flexible material, like TPU, better demonstrates the folding and recovery properties of origami-inspired structures. The results of this experiment have applications wherever honeycomb structures are used, mostly on aircraft and spacecraft. In vehicles with structures of a sufficiently high wall thickness with a rigid material, origami-inspired honeycomb structures could be used instead of current honeycomb structures in order to better protect the passengers or payload through improved energy absorption.
2D semiconducting transition metal chalcogenides (TMCs) and PtPN are also investigated. The quaternary compositionally complex TMCs show tunable properties such as in-plane lattice constants, band gaps, and band alignment, using a high through-put workflow from DFT calculations in conjunction with the virtual crystal approximation. A novel 2D semiconductor PtPN of direct bandgap is also predicted, based on pentagonal tessellation.
The work in the thesis offers guidance to the experimental realization of these novel semiconductors, which serve as valuable prototypes of other compositionally complex systems from other elements.
Overall, this work not only provides insights into the structure-property relationship of 2D pentagonal materials and opens up a new route of studying 2D materials by combining geometry and computational materials science, but also shows the potential applications of 2D pentagonal materials in electronic and magnetic devices.