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Full-Text Articles in Semiconductor and Optical Materials
Fabrication And Modification Of Titania Nanotube Arrays For Harvesting Solar Energy And Drug Delivery Applications, Ahmed El Ruby Abdel Rahman Mohamed
Fabrication And Modification Of Titania Nanotube Arrays For Harvesting Solar Energy And Drug Delivery Applications, Ahmed El Ruby Abdel Rahman Mohamed
Electronic Thesis and Dissertation Repository
The fast diminishing of fossil fuels in the near future, as well as the global warming caused by increasing greenhouse gases have motivated the urgent quest to develop advanced materials as cost-effective photoanodes for solar light harvesting and many other photocatalytic applications. Recently, titania nanotube arrays (TNTAs) fabricated by anodization process has attracted great interest due to their excellent properties such as: high surface area, vertically oriented, highly organized, one-dimensional, nanotubular structure, photoactivity, chemical stability and biocompatibility. This unique combination of excellent properties makes TNTAs an excellent photoanode for solar light harvesting. However, the relatively wide band gap energy of …
Low Energy Recoil Simulations In Mgo, Linbo3, And Litao3 Using Ab Initio Molecular Dynamics, Benjamin Aaron Petersen
Low Energy Recoil Simulations In Mgo, Linbo3, And Litao3 Using Ab Initio Molecular Dynamics, Benjamin Aaron Petersen
Doctoral Dissertations
Ab initio molecular dynamics (AIMD) was utilized to test a series of materials, MgO, LiNbO3 , and LiTaO3 , to determine defect structures produced due to low energy recoil events . The kinetic energy required to displace an atom from its lattice site, the threshold displacement energy, was calculated for an array of directions in each material, based on symmetry and complexity of the structure. MgO having a simple rock salt structure provided a model material for demonstrating computational techniques used later on LiTaO3 and LiNbO3 . The minimum values for displacing an atom were at …
Computational Studies Of Grain Boundary Behavior In Uranium Dioxide Nuclear Fuels, Eric Nelson, Lan Li (Mentor), Simon C. Middleburgh (Mentor)
Computational Studies Of Grain Boundary Behavior In Uranium Dioxide Nuclear Fuels, Eric Nelson, Lan Li (Mentor), Simon C. Middleburgh (Mentor)
Idaho Conference on Undergraduate Research
Nuclear power is responsible for the production of 380,000 Megawatts of energy worldwide, which results in over 11% of the world’s energy production [world-nuclear.org]. Pellet-cladding interactions (PCI) are a key nuclear fuel failure mechanism which presents formidable challenges to researchers due to extreme nuclear fission conditions. Although PCI interactions have been reduced due to fuel additives, understandings of PCI interactions remain elusive. We propose new approaches to increase understanding of nuclear fuel interactions; specifically, uranium dioxide and the effects of dopants. This study focuses on amorphous uranium dioxide and fission products, while benchmarking new methods with previous computational studies. Results …