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Full-Text Articles in Chemistry
Data-Driven Approaches To Complex Materials: Applications To Amorphous Solids, Dil Kumar Limbu
Data-Driven Approaches To Complex Materials: Applications To Amorphous Solids, Dil Kumar Limbu
Dissertations
While conventional approaches to materials modeling made significant contributions and advanced our understanding of materials properties in the past decades, these approaches often cannot be applied to disordered materials (e.g., glasses) for which accurate total-energy functionals or forces are either not available or it is infeasible to employ due to computational complexities associated with modeling disordered solids in the absence of translational symmetry. In this dissertation, a number of information-driven probabilistic methods were developed for the structural determination of a range of materials including disordered solids to transition metal clusters. The ground-state structures of transition-metal clusters of iron, nickel, and …
Continuous Analysis Of Photocatalytic Activity In Thin-Films And Coatings, Steven Michael Allee
Continuous Analysis Of Photocatalytic Activity In Thin-Films And Coatings, Steven Michael Allee
Master's Theses
Materials that undergo photocatalytic reactions create evolved gases due to ultraviolet light decomposition. Current methods of measuring these gases typically result in destruction of the sample. A test fixture was developed to measure evolved gases in a nondestructive manner through the utilization of a flow-through sensor array system. Preliminary testing indicates responsive measurements down to parts-per-billion sensitivity for some gases and will be compared with mass spectrometry measurements. Further development of this process could lead to the ability to measure photocatalytic reaction gases on a continuous basis without interruption of the process or destruction of materials introduced to the system.
Detection Of Hydrogen In A Two-Phase Cryogen Flow Stream With Thermal Protection Design Configurations, Anton Dmitrievitch Netchaev
Detection Of Hydrogen In A Two-Phase Cryogen Flow Stream With Thermal Protection Design Configurations, Anton Dmitrievitch Netchaev
Master's Theses
All commercial liquid-propelled rockets use hydrogen as means to reach outer space. These rocket boosters are tested on the ground and use hydrogen as means of purging the remaining explosive gasses left in the test tanks. To conserve helium, a non-renewable resource, a test fixture was developed to characterize and test sensors that could improve the accuracy and response of the current system. By improving response time of the system, helium waste during the purge process can be minimized. The test fixture was constructed to simulate temperatures and pressures that are encountered at the testing facilities. The test fixture is …