Spin-strain coupling in a 3-D transition metal oxides

ab-initio Hartree Fock (HF), density functional theory (DFT) and hybrid potentials were employed to compute the optimized lattice parameters and elastic properties of perovskite 3-d transition metal oxides. The optimized lattice parameters and elastic properties are interdependent in these materials. An interaction is observed between the electronic charge, spin and lattice degrees of freedom in 3-d transition metal oxides. The coupling between the electronic charge, spin and lattice structures originates due to localization of d-atomic orbitals. The coupling between the electronic charge, spin and crystalline lattice also contributes in the ferroelectric and ferromagnetic properties in perovskites. The cubic and tetragonal crystalline structures of perovskite transition metal oxides of ABO3 are studied. The electronic structure and the physics of 3-d perovskite materials is complex and less well considered. Moreover, the novelty of the electronic structure and properties of these perovskites transition metal oxides exceeds the challenge offered by their complex crystalline structures. To achieve the objective of understanding the structure and property relationship of these materials the first-principle computational method is employed. CRYSTAL09 code is employed for computing crystalline structure, elastic, ferromagnetic and other electronic properties. Second-order elastic constants (SOEC) and bulk moduli (B) are computed in an automated process by employing ELASTCON (elastic constants) and EOS (equation of state) programs in CRYSTAL09 code. ELASTCON, EOS and other computational algorithms are utilized to determine the elastic properties of tetragonal BaTiO3, rutile TiO2, cubic and tetragonal BaFeO3 and the ferromagentic properties of 3-d transition metal oxides. Multiple methods are employed to crosscheck the consistency of our computational results. Computational results have motivated us to explore the ferromagnetic properties of 3-d transition metal oxides. Billyscript and CRYSTAL09 code are employed to compute the optimized geometry of the cubic and tetragonal crystalline structure of transition metal oxides of Sc to Cu. Cubic crystalline structure is initially chosen to determine the effect of lattice strains on ferromagnetism due to the spin angular momentum of an electron. The 3-d transition metals and their oxides are challenging as the basis functions and potentials are not fully developed to address the complex physics of the transition metals. Moreover, perovskite crystalline structures are extremely challenging with respect to the quality of computations as the latter requires the well established methods. Ferroelectric and ferromagnetic properties of bulk, surfaces and interfaces are explored by employing CRYSTAL09 code. In our computations done on cubic TMOs of Sc-Fe it is observed that there is a coupling between the crystalline structure and FM/AFM spin polarization. Strained crystalline structures of 3-d transition metal oxides are subjected to changes in the electromagnetic and electronic properties. The electronic structure and properties of bulk, composites, surfaces of 3-d transition metal oxides are computed successfully.

Determining bridge deck deterioration through the use of 3D photogrammetry

The bridge inspection industry has yet to utilize a rapidly growing technology that shows promise to help improve the inspection process. This thesis investigates the abilities that 3D photogrammetry is capable of providing to the bridge inspector for a number of deterioration mechanisms. The technology can provide information about the surface condition of some bridge components, primarily focusing on the surface defects of a concrete bridge which include cracking, spalling and scaling. Testing was completed using a Canon EOS 7D camera which then processed photos using AgiSoft PhotoScan to align the photos and develop models. Further processing of the models was done using ArcMap in the ArcGIS 10 program to view the digital elevation models of the concrete surface. Several experiments were completed to determine the ability of the technique for the detection of the different defects. The cracks that were able to be resolved in this study were a 1/8 inch crack at a distance of two feet above the surface. 3D photogrammetry was able to be detect a depression of 1 inch wide with 3/16 inch depth which would be sufficient to measure any scaling or spalling that would be required be the inspector. The percentage scaled or spalled was also able to be calculated from the digital elevation models in ArcMap. Different camera factors including the distance from the defects, number of photos and angle, were also investigated to see how each factor affected the capabilities. 3D photogrammetry showed great promise in the detection of scaling or spalling of the concrete bridge surface.