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Description
Fuel cells, particularly solid oxide fuel cells (SOFC), are important for the future of greener and more efficient energy sources. Although SOFCs have been in existence for over fifty years, they have not been deployed extensively because they need to be operated at a high temperature (∼1000 °C), are expensive, and have slow response to changes in energy demands. One important need for commercialization of SOFCs is a lowering of their operating temperature, which requires an electrolyte that can operate at lower temperatures. Doped ceria is one such candidate. For this dissertation work I have studied different types of doped ceria to understand the mechanism of oxygen vacancy diffusion through the bulk. Doped ceria is important because they have high ionic conductivities thus making them attractive candidates for the electrolytes of solid oxide fuel cells. In particular, I have studied how the ionic conductivities are improved in these doped materials by studying the oxygen-vacancy formations and migrations. In this dissertation I describe the application of density functional theory (DFT) and Kinetic Lattice Monte Carlo (KLMC) simulations to calculate the vacancy diffusion and ionic conductivities in doped ceria. The dopants used are praseodymium (Pr), gadolinium (Gd), and neodymium (Nd), all belonging to the lanthanide series. The activation energies for vacancy migration between different nearest neighbor (relative to the dopant) positions were calculated using the commercial DFT code VASP (Vienna Ab-initio Simulation Package). These activation energies were then used as inputs to the KLMC code that I co-developed. The KLMC code was run for different temperatures (673 K to 1073 K) and for different dopant concentrations (0 to 40%). These simulations have resulted in the prediction of dopant concentrations for maximum ionic conductivity at a given temperature.
ContributorsAnwar, Shahriar (Author) / Adams, James B (Thesis advisor) / Crozier, Peter (Committee member) / Krause, Stephen (Committee member) / Arizona State University (Publisher)
Created2011
Description
With the increasing focus on developing environmentally benign electronic packages, lead-free solder alloys have received a great deal of attention. Mishandling of packages, during manufacture, assembly, or by the user may cause failure of solder joint. A fundamental understanding of the behavior of lead-free solders under mechanical shock conditions is lacking. Reliable experimental and numerical analysis of lead-free solder joints in the intermediate strain rate regime need to be investigated. This dissertation mainly focuses on exploring the mechanical shock behavior of lead-free tin-rich solder alloys via multiscale modeling and numerical simulations. First, the macroscopic stress/strain behaviors of three bulk lead-free tin-rich solders were tested over a range of strain rates from 0.001/s to 30/s. Finite element analysis was conducted to determine appropriate specimen geometry that could reach a homogeneous stress/strain field and a relatively high strain rate. A novel self-consistent true stress correction method is developed to compensate the inaccuracy caused by the triaxial stress state at the post-necking stage. Then the material property of micron-scale intermetallic was examined by micro-compression test. The accuracy of this measure is systematically validated by finite element analysis, and empirical adjustments are provided. Moreover, the interfacial property of the solder/intermetallic interface is investigated, and a continuum traction-separation law of this interface is developed from an atomistic-based cohesive element method. The macroscopic stress/strain relation and microstructural properties are combined together to form a multiscale material behavior via a stochastic approach for both solder and intermetallic. As a result, solder is modeled by porous plasticity with random voids, and intermetallic is characterized as brittle material with random vulnerable region. Thereafter, the porous plasticity fracture of the solders and the brittle fracture of the intermetallics are coupled together in one finite element model. Finally, this study yields a multiscale model to understand and predict the mechanical shock behavior of lead-free tin-rich solder joints. Different fracture patterns are observed for various strain rates and/or intermetallic thicknesses. The predictions have a good agreement with the theory and experiments.
ContributorsFei, Huiyang (Author) / Jiang, Hanqing (Thesis advisor) / Chawla, Nikhilesh (Thesis advisor) / Tasooji, Amaneh (Committee member) / Mobasher, Barzin (Committee member) / Rajan, Subramaniam D. (Committee member) / Arizona State University (Publisher)
Created2011
Description
Microfluidics is the study of fluid flow at very small scales (micro -- one millionth of a meter) and is prevalent in many areas of science and engineering. Typical applications include lab-on-a-chip devices, microfluidic fuel cells, and DNA separation technologies. Many of these microfluidic devices rely on micron-resolution velocimetry measurements to improve microchannel design and characterize existing devices. Methods such as micro particle imaging velocimetry (microPIV) and micro particle tracking velocimetry (microPTV) are mature and established methods for characterization of steady 2D flow fields. Increasingly complex microdevices require techniques that measure unsteady and/or three dimensional velocity fields. This dissertation presents a method for three-dimensional velocimetry of unsteady microflows based on spinning disk confocal microscopy and depth scanning of a microvolume. High-speed 2D unsteady velocity fields are resolved by acquiring images of particle motion using a high-speed CMOS camera and confocal microscope. The confocal microscope spatially filters out of focus light using a rotating disk of pinholes placed in the imaging path, improving the ability of the system to resolve unsteady microPIV measurements by improving the image and correlation signal to noise ratio. For 3D3C measurements, a piezo-actuated objective positioner quickly scans the depth of the microvolume and collects 2D image slices, which are stacked into 3D images. Super resolution microPIV interrogates these 3D images using microPIV as a predictor field for tracking individual particles with microPTV. The 3D3C diagnostic is demonstrated by measuring a pressure driven flow in a three-dimensional expanding microchannel. The experimental velocimetry data acquired at 30 Hz with instantaneous spatial resolution of 4.5 by 4.5 by 4.5 microns agrees well with a computational model of the flow field. The technique allows for isosurface visualization of time resolved 3D3C particle motion and high spatial resolution velocity measurements without requiring a calibration step or reconstruction algorithms. Several applications are investigated, including 3D quantitative fluorescence imaging of isotachophoresis plugs advecting through a microchannel and the dynamics of reaction induced colloidal crystal deposition.
ContributorsKlein, Steven Adam (Author) / Posner, Jonathan D (Thesis advisor) / Adrian, Ronald (Committee member) / Chen, Kangping (Committee member) / Devasenathipathy, Shankar (Committee member) / Frakes, David (Committee member) / Arizona State University (Publisher)
Created2011
Description
As the 3rd generation solar cell, quantum dot solar cells are expected to outperform the first 2 generations with higher efficiency and lower manufacture cost. Currently the main problems for QD cells are the low conversion efficiency and stability. This work is trying to improve the reliability as well as the device performance by inserting an interlayer between the metal cathode and the active layer. Titanium oxide and a novel nitrogen doped titanium oxide were compared and TiOxNy capped device shown a superior performance and stability to TiOx capped one. A unique light anneal effect on the interfacial layer was discovered first time and proved to be the trigger of the enhancement of both device reliability and efficiency. The efficiency was improved by 300% and the device can retain 73.1% of the efficiency with TiOxNy when normal device completely failed after kept for long time. Photoluminescence indicted an increased charge disassociation rate at TiOxNy interface. External quantum efficiency measurement also inferred a significant performance enhancement in TiOxNy capped device, which resulted in a higher photocurrent. X-ray photoelectron spectrometry was performed to explain the impact of light doping on optical band gap. Atomic force microscopy illustrated the effect of light anneal on quantum dot polymer surface. The particle size is increased and the surface composition is changed after irradiation. The mechanism for performance improvement via a TiOx based interlayer was discussed based on a trap filling model. Then Tunneling AFM was performed to further confirm the reliability of interlayer capped organic photovoltaic devices. As a powerful tool based on SPM technique, tunneling AFM was able to explain the reason for low efficiency in non-capped inverted organic photovoltaic devices. The local injection properties as well as the correspondent topography were compared in organic solar cells with or without TiOx interlayer. The current-voltage characteristics were also tested at a single interested point. A severe short-circuit was discovered in non capped devices and a slight reverse bias leakage current was also revealed in TiOx capped device though tunneling AFM results. The failure reason for low stability in normal devices was also discussed comparing to capped devices.
ContributorsYu, Jialin (Author) / Jabbour, Ghassan E. (Thesis advisor) / Alford, Terry L. (Thesis advisor) / Yu, Hongbin (Committee member) / Arizona State University (Publisher)
Created2011
Description
Silicon nanowires were grown epitaxially on Si (100) and (111) surfaces using the Vapor-Liquid-Solid (VLS) mechanism under both thermal and plasma enhanced growth conditions. Nanowire morphology was investigated as a function of temperature, time, disilane partial pressure and substrate preparation. Silicon nanowires synthesized in low temperature plasma typically curved compared to the linear nanowires grown under simple thermal conditions. The nanowires tended bend more with increasing disilane partial gas pressure up to 25 x10-3 mTorr. The nanowire curvature measured geometrically is correlated with the shift of the main silicon peak obtained in Raman spectroscopy. A mechanistic hypothesis was proposed to explain the bending during plasma activated growth. Additional driving forces related to electrostatic and Van der Waals forces were also discussed. Deduced from a systematic variation of a three-step experimental protocol, the mechanism for bending was associated with asymmetric deposition rate along the outer and inner wall of nanowire. The conditions leading to nanowire branching were also examined using a two-step growth process. Branching morphologies were examined as a function of plasma powers between 1.5 W and 3.5 W. Post-annealing thermal and plasma-assisted treatments in hydrogen were compared to understand the influences in the absence of an external silicon source (otherwise supplied by disilane). Longer and thicker nanowires were associated with longer annealing times due to an Ostwald-like ripening effect. The roles of surface diffusion, gas diffusion, etching and deposition rates were examined.
ContributorsJoun, Hee-Joung (Author) / Petuskey, William T. (Thesis advisor) / Drucker, Jeff (Committee member) / Chizmeshya, Andrew (Committee member) / Arizona State University (Publisher)
Created2011
Description
Concrete columns constitute the fundamental supports of buildings, bridges, and various other infrastructures, and their failure could lead to the collapse of the entire structure. As such, great effort goes into improving the fire resistance of such columns. In a time sensitive fire situation, a delay in the failure of critical load bearing structures can lead to an increase in time allowed for the evacuation of occupants, recovery of property, and access to the fire. Much work has been done in improving the structural performance of concrete including reducing column sizes and providing a safer structure. As a result, high-strength (HS) concrete has been developed to fulfill the needs of such improvements. HS concrete varies from normal-strength (NS) concrete in that it has a higher stiffness, lower permeability and larger durability. This, unfortunately, has resulted in poor performance under fire. The lower permeability allows for water vapor to build up causing HS concrete to suffer from explosive spalling under rapid heating. In addition, the coefficient of thermal expansion (CTE) of HS concrete is lower than that of NS concrete. In this study, the effects of introducing a region of crumb rubber concrete into a steel-reinforced concrete column were analyzed. The inclusion of crumb rubber concrete into a column will greatly increase the thermal resistivity of the overall column, leading to a reduction in core temperature as well as the rate at which the column is heated. Different cases were analyzed while varying the positioning of the crumb-rubber region to characterize the effect of position on the improvement of fire resistance. Computer simulated finite element analysis was used to calculate the temperature and strain distribution with time across the column's cross-sectional area with specific interest in the steel - concrete region. Of the several cases which were investigated, it was found that the improvement of time before failure ranged between 32 to 45 minutes.
ContributorsZiadeh, Bassam Mohammed (Author) / Phelan, Patrick (Thesis advisor) / Kaloush, Kamil (Thesis advisor) / Jiang, Hanqing (Committee member) / Arizona State University (Publisher)
Created2011
Description
The intent of this research is to determine if cool roofs lead to increased energy use in the U.S. and if so, in what climates. Directed by the LEED environmental building rating system, cool roofs are increasingly specified in an attempt to mitigate urban heat island effect. A typical single story retail building was simulated using eQUEST energy software across seven different climatic zones in the U.S.. Two roof types are varied, one with a low solar reflectance index of 30 (typical bituminous roof), and a roof with SRI of 90 (high performing membrane roof). The model also varied the perimeter / core fraction, internal loads, and schedule of operations. The data suggests a certain point at which a high SRI roofing finish results in energy penalties over the course of the year in climate zones which are heating driven. Climate zones 5 and above appear to be the flipping point, beyond which the application of a high SRI roof creates sufficient heating penalties to outweigh the cooling energy benefits.
ContributorsLee, John (Author) / Bryan, Harvey (Thesis advisor) / Marlin, Marlin (Committee member) / Ramalingam, Muthukumar (Committee member) / Arizona State University (Publisher)
Created2011
Description
A relatively simple subset of nanotechnology - nanofluids - can be obtained by adding nanoparticles to conventional base fluids. The promise of these fluids stems from the fact that relatively low particle loadings (typically <1% volume fractions) can significantly change the properties of the base fluid. This research explores how low volume fraction nanofluids, composed of common base-fluids, interact with light energy. Comparative experimentation and modeling reveals that absorbing light volumetrically (i.e. in the depth of the fluid) is fundamentally different from surface-based absorption. Depending on the particle material, size, shape, and volume fraction, a fluid can be changed from being mostly transparent to sunlight (in the case of water, alcohols, oils, and glycols) to being a very efficient volumetric absorber of sunlight. This research also visualizes, under high levels of irradiation, how nanofluids undergo interesting, localized phase change phenomena. For this, images were taken of bubble formation and boiling in aqueous nanofluids heated by a hot wire and by a laser. Infrared thermography was also used to quantify this phenomenon. Overall, though, this research reveals the possibility for novel solar collectors in which the working fluid directly absorbs light energy and undergoes phase change in a single step. Modeling results indicate that these improvements can increase a solar thermal receiver's efficiency by up to 10%.
ContributorsTaylor, Robert (Author) / Phelan, Patrick E (Thesis advisor) / Adrian, Ronald (Committee member) / Trimble, Steve (Committee member) / Posner, Jonathan (Committee member) / Maracas, George (Committee member) / Arizona State University (Publisher)
Created2011
Description
Amorphous oxide semiconductors are promising new materials for various optoelectronic applications. In this study, improved electrical and optical properties upon thermal and microwave processing of mixed-oxide semiconductors are reported. First, arsenic-doped silicon was used as a model system to understand susceptor-assisted microwave annealing. Mixed oxide semiconductor films of indium zinc oxide (IZO) and indium gallium zinc oxide (IGZO) were deposited by room-temperature RF sputtering on flexible polymer substrates. Thermal annealing in different environments - air, vacuum and oxygen was done. Electrical and optical characterization was carried out before and after annealing. The degree of reversal in the degradation in electrical properties of the thin films upon annealing in oxygen was assessed by subjecting samples to subsequent vacuum anneals. To further increase the conductivity of the IGZO films, Ag layers of various thicknesses were embedded between two IGZO layers. Optical performance of the multilayer structures was improved by susceptor-assisted microwave annealing and furnace-annealing in oxygen environment without compromising on their electrical conductivity. The post-processing of the films in different environments was used to develop an understanding of mechanisms of carrier generation, transport and optical absorption. This study establishes IGZO as a viable transparent conductor, which can be deposited at room-temperature and processed by thermal and microwave annealing to improve electrical and optical performance for applications in flexible electronics and optoelectronics.
ContributorsGadre, Mandar (Author) / Alford, Terry L. (Thesis advisor) / Schroder, Dieter (Committee member) / Krause, Stephen (Committee member) / Theodore, David (Committee member) / Arizona State University (Publisher)
Created2011
Description
The high strength to weight ratio of woven fabric offers a cost effective solution to be used in a containment system for aircraft propulsion engines. Currently, Kevlar is the only Federal Aviation Administration (FAA) approved fabric for usage in systems intended to mitigate fan blade-out events. This research builds on an earlier constitutive model of Kevlar 49 fabric developed at Arizona State University (ASU) with the addition of new and improved modeling details. Latest stress strain experiments provided new and valuable data used to modify the material model post peak behavior. These changes reveal an overall improvement of the Finite Element (FE) model's ability to predict experimental results. First, the steel projectile is modeled using Johnson-Cook material model and provides a more realistic behavior in the FE ballistic models. This is particularly noticeable when comparing FE models with laboratory tests where large deformations in projectiles are observed. Second, follow-up analysis of the results obtained through the new picture frame tests conducted at ASU provides new values for the shear moduli and corresponding strains. The new approach for analysis of data from picture frame tests combines digital image analysis and a two-level factorial optimization formulation. Finally, an additional improvement in the material model for Kevlar involves checking the convergence at variation of mesh density of fabrics. The study performed and described herein shows the converging trend, therefore validating the FE model.
ContributorsMorea, Mihai I (Author) / Rajan, Subramaniam D. (Thesis advisor) / Arizona State University (Publisher)
Created2011