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Description
Non-Destructive Testing (NDT) is integral to preserving the structural health of materials. Techniques that fall under the NDT category are able to evaluate integrity and condition of a material without permanently altering any property of the material. Additionally, they can typically be used while the material is in active use instead of needing downtime for inspection.
The two general categories of structural health monitoring (SHM) systems include passive and active monitoring. Active SHM systems utilize an input of energy to monitor the health of a structure (such as sound waves in ultrasonics), while passive systems do not. As such, passive SHM tends to be more desirable. A system could be permanently fixed to a critical location, passively accepting signals until it records a damage event, then localize and characterize the damage. This is the goal of acoustic emissions testing.
When certain types of damage occur, such as matrix cracking or delamination in composites, the corresponding release of energy creates sound waves, or acoustic emissions, that propagate through the material. Audio sensors fixed to the surface can pick up data from both the time and frequency domains of the wave. With proper data analysis, a time of arrival (TOA) can be calculated for each sensor allowing for localization of the damage event. The frequency data can be used to characterize the damage.
In traditional acoustic emissions testing, the TOA combined with wave velocity and information about signal attenuation in the material is used to localize events. However, in instances of complex geometries or anisotropic materials (such as carbon fibre composites), velocity and attenuation can vary wildly based on the direction of interest. In these cases, localization can be based off of the time of arrival distances for each sensor pair. This technique is called Delta T mapping, and is the main focus of this study.
The two general categories of structural health monitoring (SHM) systems include passive and active monitoring. Active SHM systems utilize an input of energy to monitor the health of a structure (such as sound waves in ultrasonics), while passive systems do not. As such, passive SHM tends to be more desirable. A system could be permanently fixed to a critical location, passively accepting signals until it records a damage event, then localize and characterize the damage. This is the goal of acoustic emissions testing.
When certain types of damage occur, such as matrix cracking or delamination in composites, the corresponding release of energy creates sound waves, or acoustic emissions, that propagate through the material. Audio sensors fixed to the surface can pick up data from both the time and frequency domains of the wave. With proper data analysis, a time of arrival (TOA) can be calculated for each sensor allowing for localization of the damage event. The frequency data can be used to characterize the damage.
In traditional acoustic emissions testing, the TOA combined with wave velocity and information about signal attenuation in the material is used to localize events. However, in instances of complex geometries or anisotropic materials (such as carbon fibre composites), velocity and attenuation can vary wildly based on the direction of interest. In these cases, localization can be based off of the time of arrival distances for each sensor pair. This technique is called Delta T mapping, and is the main focus of this study.
ContributorsBriggs, Nathaniel (Author) / Chattopadhyay, Aditi (Thesis director) / Papandreou-Suppappola, Antonia (Committee member) / Skinner, Travis (Committee member) / Mechanical and Aerospace Engineering Program (Contributor) / School of Mathematical and Statistical Sciences (Contributor) / Barrett, The Honors College (Contributor)
Created2019-05
Description
Titanium dioxide is an essential material under research for energy and environmental applications, chiefly through its photocatalytic properties. These properties allow it to be used for water-splitting, detoxification, and photovoltaics, in addition to its conventional uses in pigmentation and sunscreen. Titanium dioxide exists in several polymorphic structures, of which the most common are rutile and anatase. We focused on anatase for the purposes of this research, due to its promising results for hydrolysis.
Anatase exists often in its reduced form (TiO2-x), enabling it to perform redox reactions through the absorption and release of oxygen into/from the crystal lattice. These processes result in structural changes, induced by defects in the material, which can theoretically be observed using advanced characterization methods. In situ electron microscopy is one of such methods, and can provide a window into these structural changes. However, in order to interpret the structural evolution caused by defects in materials, it is often necessary and pertinent to use atomistic simulations to compare the experimental images with models.
In this thesis project, we modeled the defect structures in anatase, around oxygen vacancies and at surfaces, using molecular dynamics, benchmarked with density functional theory. Using a “reactive” forcefield designed for the simulation of interactions between anatase and water that can model and treat bonding through the use of bond orders, different vacancy structures were analyzed and simulated. To compare these theoretical, generated models with experimental data, the “multislice approach” to TEM image simulation was used. We investigated a series of different vacancy configurations and surfaces and generated fingerprints for comparison with TEM experiments. This comparison demonstrated a proof of concept for a technique suggesting the possibility for the identification of oxygen vacancy structures directly from TEM images. This research aims to improve our atomic-level understanding of oxide materials, by providing a methodology for the analysis of vacancy formation from very subtle phenomena in TEM images.
Anatase exists often in its reduced form (TiO2-x), enabling it to perform redox reactions through the absorption and release of oxygen into/from the crystal lattice. These processes result in structural changes, induced by defects in the material, which can theoretically be observed using advanced characterization methods. In situ electron microscopy is one of such methods, and can provide a window into these structural changes. However, in order to interpret the structural evolution caused by defects in materials, it is often necessary and pertinent to use atomistic simulations to compare the experimental images with models.
In this thesis project, we modeled the defect structures in anatase, around oxygen vacancies and at surfaces, using molecular dynamics, benchmarked with density functional theory. Using a “reactive” forcefield designed for the simulation of interactions between anatase and water that can model and treat bonding through the use of bond orders, different vacancy structures were analyzed and simulated. To compare these theoretical, generated models with experimental data, the “multislice approach” to TEM image simulation was used. We investigated a series of different vacancy configurations and surfaces and generated fingerprints for comparison with TEM experiments. This comparison demonstrated a proof of concept for a technique suggesting the possibility for the identification of oxygen vacancy structures directly from TEM images. This research aims to improve our atomic-level understanding of oxide materials, by providing a methodology for the analysis of vacancy formation from very subtle phenomena in TEM images.
ContributorsShindel, Benjamin Noam (Author) / Crozier, Peter (Thesis director) / Anwar, Shahriar (Committee member) / Singh, Arunima (Committee member) / Materials Science and Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2019-05