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Title: CHEMICAL STRUCTURE - NONLINEAR OPTICAL PROPERTY RELATIONSHIPS FOR A SERIES OF TWO-PHOTON ABSORBING FLUORENE MOLECULES.
Creator: Hales, Joel McCajah, Van Stryland, Eric W., University of Central Florida
Abstract / Description: This dissertation reports on the investigation of two-photon absorption (2PA) in a series of fluorenyl molecules. Several current and emerging technologies exploit this optical nonlinearity including two-photon fluorescence imaging, three-dimensional microfabrication, site-specific photodynamic cancer therapy and biological caging studies. The two key features of this nonlinearity which make it an ideal candidate for the above applications are its quadratic dependence on the incident...
Show moreThis dissertation reports on the investigation of two-photon absorption (2PA) in a series of fluorenyl molecules. Several current and emerging technologies exploit this optical nonlinearity including two-photon fluorescence imaging, three-dimensional microfabrication, site-specific photodynamic cancer therapy and biological caging studies. The two key features of this nonlinearity which make it an ideal candidate for the above applications are its quadratic dependence on the incident irradiance and the improved penetration into absorbing media that it affords. As a consequence of the burgeoning field which exploits 2PA, it is a goal to find materials that exhibit strong two-photon absorbing capabilities. Organic materials are promising candidates for 2PA applications because their material properties can be tailored through molecular engineering thereby facilitating optimization of their nonlinear optical properties. Fluorene derivatives are particularly interesting since they possess high photochemical stability for organic molecules and are generally strongly fluorescent. By systematically altering the structural properties in a series of fluorenyl molecules, we have determined how these changes affect their two-photon absorbing capabilities. This was accomplished through characterization of both the strength and location of their 2PA spectra. In order to ensure the validity of these results, three separate nonlinear characterization techniques were employed: two-photon fluorescence spectroscopy, white-light continuum pump-probe spectroscopy, and the Z-scan technique. In addition, full linear spectroscopic characterization was performed on these molecules along with supplementary quantum chemical calculations to obtain certain molecular properties that might impact the nonlinearity. Different designs in chemical architecture allowed investigation of the effects of symmetry, solvism, donor-acceptor strengths, conjugation length, and multi-branched geometries on the two-photon absorbing properties of these molecules. In addition, the means to enhance 2PA via intermediate state resonances was investigated. To provide plausible explanations for the experimentally observed trends, a conceptually simple three level model was employed. The subsequent correlations found between chemical structure and the linear and nonlinear optical properties of these molecules provided definitive conclusions on how to properly optimize their two-photon absorbing capabilities. The resulting large nonlinearities found in these molecules have already shown promise in a variety of the aforementioned applications.
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Date Issued: 2004
Identifier: CFE0000005, ucf:46103
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0000005

Title: CATEGORICAL PROPERTIES OF LATTICE-VALUED CONVERGENCE SPACES.
Creator: Flores, Paul, Richardson, Gary, University of Central Florida
Abstract / Description: This work can be roughly divided into two parts. Initially, it may be considered a continuation of the very interesting research on the topic of Lattice-Valued Convergence Spaces given by Jäger [2001, 2005]. The alternate axioms presented here seem to lead to theorems having proofs more closely related to standard arguments used in Convergence Space theory when the Lattice is L=.Various Subcategories are investigated. One such subconstruct is shown to be isomorphic to the category of...
Show moreThis work can be roughly divided into two parts. Initially, it may be considered a continuation of the very interesting research on the topic of Lattice-Valued Convergence Spaces given by Jäger [2001, 2005]. The alternate axioms presented here seem to lead to theorems having proofs more closely related to standard arguments used in Convergence Space theory when the Lattice is L=.Various Subcategories are investigated. One such subconstruct is shown to be isomorphic to the category of Lattice Valued Fuzzy Convergence Spaces defined and studied by Jäger . Our principal category is shown to be a topological universe and contains a subconstruct isomorphic to the category of probabilistic convergence spaces discussed in Kent and Richardson when L=. Fundamental work in lattice-valued convergence from the more general perspective of monads can be found in Gähler . Secondly, diagonal axioms are defined in the category whose objects consist of all the lattice valued convergence spaces. When the latter lattice is linearly ordered, a diagonal condition is given which characterizes those objects in the category that are determined by probabilistic convergence spaces which are topological. Certain background information regarding filters, convergence spaces, and diagonal axioms with its dual are given in Chapter 1. Chapter 2 describes Probabilistic Convergence and associated Diagonal axioms. Chapter 3 defines Jäger convergence and proves that Jäger's construct is isomorphic to a bireflective subconstruct of SL-CS. Furthermore, connections between the diagonal axioms discussed and those given by Gähler are explored. In Chapter 4, further categorical properties of SL-CS are discussed and in particular, it is shown that SL-CS is topological, cartesian closed, and extensional. Chapter 5 explores connections between diagonal axioms for objects in the sub construct δ(PCS) and SL-CS. Finally, recommendations for further research are provided.
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Date Issued: 2007
Identifier: CFE0001715, ucf:47292
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0001715

Title: MAGNETIC PROPERTIES OF SPUTTER DEPOSITED FE-BASED AMORPHOUS THIN FILMS FOR RESONATOR APPLICATION.
Creator: China, Chaitali, Coffey, Kevin, University of Central Florida
Abstract / Description: In this study we investigate the magnetic properties of Fe-based amorphous thin films. Fe1-x-y-zBxSiyCz, Fe80-xNixB20, Fe80-xMnxB20, and Fe73-xMnxB27 films were deposited on silicon and glass substrates in a DC and RF magnetron sputtering system. Inductive magnetic measurements were performed to investigate the magnetic properties, including induced anisotropy and magnetostriction, of the as-deposited and annealed films using an M-H Looper. The chemical composition of the films was...
Show moreIn this study we investigate the magnetic properties of Fe-based amorphous thin films. Fe1-x-y-zBxSiyCz, Fe80-xNixB20, Fe80-xMnxB20, and Fe73-xMnxB27 films were deposited on silicon and glass substrates in a DC and RF magnetron sputtering system. Inductive magnetic measurements were performed to investigate the magnetic properties, including induced anisotropy and magnetostriction, of the as-deposited and annealed films using an M-H Looper. The chemical composition of the films was characterized using secondary ion mass spectroscopy (SIMS). The physical thickness of the films was determined by use of a stylus profilometer. The M-H Looper studies indicated that the induced anisotropy (Hk) depends strongly on the nickel concentration as well as on the annealing conditions, specifically the time and temperature of the annealing process. For the same metalloid concentration, the induced anisotropy has a maximum as a function of Ni. For the same nickel concentration and annealing time, it was found that the value of Hk decreases with the increase in annealing temperature. For each composition studied, low temperature long time annealing showed a higher value of Hk compared to high temperature short time annealing. From the magnetostriction values of Fe80-xNixB20 alloys, it was found that the sputter deposited films show similar trend but differ in magnitude when compared with ribbon samples. The magnetostriction of annealed thin films is found to be representative of ribbon samples. A potential composition modification to improve the strength of the field induced anisotropy is the addition of low levels of Mn.
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Date Issued: 2006
Identifier: CFE0001275, ucf:46896
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0001275

Title: EVALUATING THE PSYCHOMETRIC PROPERTIES OF THE AGGRESSIVE DRIVING BEHAVIOR QUESTIONNAIRE (ADBQ).
Creator: Gurda, Ajla, Mouloua, Mustapha, University of Central Florida
Abstract / Description: Over the past decade, aggressive driving behavior has become a topic of concern among the public, media, and researchers in the psychological community. Aggressive driving is a problematic pattern of social behavior that is not only a leading cause to motor vehicle accidents, but a serious threat to public safety. One instrument that has been developed to assess aggressive driving behavior is the Aggressive Driving Behavior Questionnaire (ADBQ). The ADBQ is a 20-item paper and pencil...
Show moreOver the past decade, aggressive driving behavior has become a topic of concern among the public, media, and researchers in the psychological community. Aggressive driving is a problematic pattern of social behavior that is not only a leading cause to motor vehicle accidents, but a serious threat to public safety. One instrument that has been developed to assess aggressive driving behavior is the Aggressive Driving Behavior Questionnaire (ADBQ). The ADBQ is a 20-item paper and pencil questionnaire intended to measure a driver's likelihood for engaging in aggressive driving behavior. The ADBQ was developed using a factor-analytic approach that combined five previously developed aggressive driving behavior scales (Brill, Mouloua & Shirkey, 2007). Of the 81 items of the five combined scales, nineteen latent variables were extracted and accounted for 67.4% of the explained variance for the observed responses. The final 20th item was developed by splitting one of the latent variables. A previous study, conducted at Old Dominion University (N = 230) and Michigan Technological University (N = 265), examined the ADBQ's factor structure and internal consistency, and found relatively high internal consistency (Cronbach's alpha = .77) and the identification of six factors using a principal axis factor analysis (Brill & Mouloua, 2011). The ADBQ was also tested in a controlled laboratory environment and found significant evidence that suggest the ADBQ is a valid predictor of aggressive driving behavior in a simulated environment (Brill, Mouloua & Shirkey 2009). The purpose of the present study was to further investigate the psychometric properties of the ADBQ. Based on a sample of 285 undergraduates (170 women and 115 men) from the University of Central Florida, the study examined the internal consistency, predictive and construct validity, and factor structure of the new questionnaire. A principal axis factor analysis with promax rotation yielded four factors, or joint variations between the 20 items, that were inter-correlated with eigenvalues greater than 1. The ADBQ was also found to have high internal consistency (Cronbach's alpha = .86). The four factors were used to form four subscales of aggressive driving behavior that included anger/aggression, speeding/minor infractions, overt expression, and judgment of other drivers. The four subscales were found to correlate with self-reported biographical and driver history data, as well as, gender differences across scales. Additional analyses were conducted using data from the present sample from the University of Central Florida (N = 285) and the data from the previous study from Old Dominion University (N = 230) and Michigan Technological University (N = 265) for a combined sample of 780 undergraduate students. The findings in this present study provided additional support for the consistency, predictive validity, and factor structure of the ADBQ instrument. The Aggressive Driving Behavior Questionnaire proves to be a valuable measure in predicting the likelihood of a person engaging in aggressive driving behavior. The implications for driving behavior assessment, training, and instrument development are also discussed.
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Date Issued: 2012
Identifier: CFH0004210, ucf:44955
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFH0004210

Title: INVESTIGATION OF THE EFFECT OF EDGE-OXIDIZED GRAPHENE OXIDE (EOGO) ON THE PROPERTIES OF CEMENT COMPOSITES.
Creator: Alharbi, Yousef, Nam, Boo Hyun, Chopra, Manoj, Zaurin, Ricardo, Kwok, Kawai, University of Central Florida
Abstract / Description: The use of edge-oxidized graphene oxide (EOGO), produced by a mechanochemical ?process that allow to deliver a product suitable for large-scale production at affordable cost, as ?an additive in cement composites was investigated. Comprehensive experimental tests were ?conducted to investigate the effect of EOGO on the properties of cement composites. The ?experimental tests were designed for three subtasks: (1) investigation of the performance of ?EOGO and its mixing method on the strength,...
Show moreThe use of edge-oxidized graphene oxide (EOGO), produced by a mechanochemical ?process that allow to deliver a product suitable for large-scale production at affordable cost, as ?an additive in cement composites was investigated. Comprehensive experimental tests were ?conducted to investigate the effect of EOGO on the properties of cement composites. The ?experimental tests were designed for three subtasks: (1) investigation of the performance of ?EOGO and its mixing method on the strength, pore structure and microstructure of EOGO-?cement composites, (2) evaluation of the rheological and fluidity behavior of EOGO-cement ?paste and mortar, and (3) investigation of the mechanism of the enhanced workability of ?EOGO-concrete. EOGO content ranged from 0.01% to 1% and two mix design methods were ?employed for cement paste and mortar to explore an optimum and feasible mix design of ?EOGO. Compressive and flexural strength tests were conducted to investigate the mechanical ?performance of EOGO-cement composites. Total porosity and water sorptivity were performed ?to investigate the pore structure of EOGO-cement paste and mortar. Furthermore, petrographic ?analyses were conducted to characterize the microstructure of EOGO-cement composites. ?Imaged based-mini-slump and flow table tests were performed to measure the fluidity of ?EOGO-cement paste and mortar. The rheological properties of EOGO-cement paste were ?measured through viscometer test. The mechanism of the enhanced workability of EOGO-?concrete was investigated by performing slump and water absorption of aggregate in cement ?paste tests. The key findings are (1) the addition of EOGO into cement composites improves the ?compressive and flexural strength, (2) 0.05% of EOGO is the optimum content to improve the ?strength and pore structure of EOGO-cement composites, (3) the addition of EOGO reduces the ?fluidity and increases the viscosity of EOGO-cement composites, (4) the addition of EOGO ?improves the workability of concrete, and (5) dry-mix design is feasible and more practical for ?large-scale production.?
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Date Issued: 2019
Identifier: CFE0007425, ucf:52721
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0007425

Title: INVESTIGATION OF REACTIVELY SPUTTERED BORON CARBON NITRIDE THIN FILMS.
Creator: Todi, Vinit, Sundaram, Kalpathy, University of Central Florida
Abstract / Description: Research efforts have been focused in the development of hard and wear resistant coatings over the last few decades. These protective coatings find applications in the industry such as cutting tools, automobile and machine part etc. Various ceramic thin films like TiN, TiAlN, TiC, SiC and diamond-like carbon (DLC) are examples of the films used in above applications. However, increasing technological and industrial demands request thin films with more complicated and advanced properties. For...
Show moreResearch efforts have been focused in the development of hard and wear resistant coatings over the last few decades. These protective coatings find applications in the industry such as cutting tools, automobile and machine part etc. Various ceramic thin films like TiN, TiAlN, TiC, SiC and diamond-like carbon (DLC) are examples of the films used in above applications. However, increasing technological and industrial demands request thin films with more complicated and advanced properties. For this purpose, B-C-N ternary system which is based on carbon, boron and nitrogen which exhibit exceptional properties and attract much attention from mechanical, optical and electronic perspectives. Also, boron carbonitride (BCN) thin films contains interesting phases such as diamond, cubic BN (c-BN), hexagonal boron nitride (h-BN), B4C, [two]-C3N4. Attempts have been made to form a material with semiconducting properties between the semi metallic graphite and the insulating h-BN, or to combine the cubic phases of diamond and c-BN (BC2N heterodiamond) in order to merge the higher hardness of the diamond with the advantages of c-BN, in particular with its better chemical resistance to iron and oxygen at elevated temperatures. New microprocessor CMOS technologies require interlayer dielectric materials with lower dielectric constant than those used in current technologies to meet RC delay goals and to minimize cross-talk. Silicon oxide or fluorinated silicon oxide (SiOF) materials having dielectric constant in the range of 3.6 to 4 have been used for many technology nodes. In order to meet the aggressive RC delay goals, new technologies require dielectric materials with K<3. BCN shows promise as a low dielectric constant material with good mechanical strength suitable to be used in newer CMOS technologies. For optical applications, the deposition of BCN coatings on polymers is a promising method for protecting the polymer surface against wear and scratching. BCN films have high optical transparency and thus can be used as mask substrates for X-ray lithography. Most of the efforts from different researchers were focused to deposit cubic boron nitride and boron carbide films. Several methods of preparing boron carbon nitride films have been reported, such as chemical vapor deposition (CVD), plasma assisted CVD, pulsed laser ablation and ion beam deposition. Very limited studies could be found focusing on the effect of nitrogen incorporation into boron carbide structure by sputtering. In this work, the deposition and characterization of amorphous thin films of boron carbon nitride (BCN) is reported. The BCN thin films were deposited by radio frequency (rf) magnetron sputtering system. The BCN films were deposited by sputtering from a high purity B4C target with the incorporation of nitrogen gas in the sputtering ambient. Films of different compositions were deposited by varying the ratios of argon and nitrogen gas in the sputtering ambient. Investigation of the oxidation kinetics of these materials was performed to study high temperature compatibility of the material. Surface characterization of the deposited films was performed using X-ray photoelectron spectroscopy and optical profilometry. Studies reveal that the chemical state of the films is highly sensitive to nitrogen flow ratios during sputtering. Surface analysis shows that smooth and uniform BCN films can be produced using this technique. Carbon and nitrogen content in the films seem to be sensitive to annealing temperatures. However depth profile studies reveal certain stoichiometric compositions to be stable after high temperature anneal up to 700[degrees]C. Electrical and optical characteristics are also investigated with interesting results. The optical band gap of the films ranged from 2.0 eV - 3.1 eV and increased with N2/Ar gas flow ratio except at the highest ratio. The optical band gap showed an increasing trend when annealed at higher temperatures. The effect of deposition temperature on the optical and chemical compositions of the BCN films was also studied. The band gap increased with the deposition temperature and the films deposited at 500oC had the highest band gap. Dielectric constant was calculated from the Capacitance-Voltage curves obtained for the MOS structures with BCN as the insulating material. Aluminum was used as the top electrode and the substrate was p-type Si. Effect of N2/Ar gas flow ratio and annealing on the values of dielectric constant was studied and the dielectric constant of 2.5 was obtained for the annealed BCN films. This by far is the lowest value of dielectric constant reported for BCN film deposited by sputtering. Lastly, the future research work on the BCN films that will be carried out as a part of the dissertation is proposed.
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Date Issued: 2011
Identifier: CFE0004033, ucf:49181
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0004033

Title: Modeling of Thermal Properties of Fiber Glass Polyester Resin Composite Under Thermal Degradation Condition.
Creator: Tsoi, Marvin, Chen, Ruey-Hung, Gou, Jihua, Ilie, Marcel, University of Central Florida
Abstract / Description: Composites, though used in a variety of applications from chairs and office supplies to structures of U.S. Navy ships and aircrafts, are not all designed to hold up to extreme heat flux and high temperature. Fiber-reinforced polymeric composites (FRPC) have been proven to provide the much needed physical and mechanical properties under fire exposure. FRPC notable features are its combination of high specific tensile strength, low weight, along with good corrosion and fatigue resistance....
Show moreComposites, though used in a variety of applications from chairs and office supplies to structures of U.S. Navy ships and aircrafts, are not all designed to hold up to extreme heat flux and high temperature. Fiber-reinforced polymeric composites (FRPC) have been proven to provide the much needed physical and mechanical properties under fire exposure. FRPC notable features are its combination of high specific tensile strength, low weight, along with good corrosion and fatigue resistance. However FRPC are susceptible to thermal degradation and decomposition, which yields flammable gas, and are thus highly combustible. This property restricts polymeric material usage.This study developed a numerical model that simulated the degradation rate and temperature profiles of a fiber-reinforced polyester resin composite exposed to a constant heat flux and hydrocarbon fire in a cone calorimeter. A numerical model is an essential tool because it gives the composite designer the ability to predict results in a time and cost efficient manner. The goal of this thesis is to develop a numerical model to simulate a zonal-layer polyester resin and fiber-glass mat composite and then validate the model with experimental results from a cone calorimeter. By inputting the thermal properties of the layered composite of alternating polymer and polymer-infused glass fiber mat layers, the numerical model is one step closer to representing the experimental data from the cone calorimeter test. The final results are achieved through adding a simulated heat flux from the pilot ignition of the degraded gas of the polyester resin. The results can be coupled into a mechanical model, which may be separately constructed for future study on the mechanical strength of composites under fire conditions.
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Date Issued: 2011
Identifier: CFE0004171, ucf:49076
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0004171

Title: FABRICATION OF FUNCTIONAL NANOSTRUCTURES USING POLYELECTROLYTE NANOCOMPOSITES AND REDUCED GRAPHENE OXIDE ASSEMBLIES.
Creator: Chunder, Anindarupa, Zhai, Lei, University of Central Florida
Abstract / Description: A wide variety of nanomaterials ranging from polymer assemblies to organic and inorganic nanostructures (particles, wires, rods etc) have been actively pursued in recent years for various applications. The synthesis route of these nanomaterials had been driven through two fundamental approaches - Ã‚Â'Top downÃ‚Â' and Ã‚Â'Bottom upÃ‚Â'. The key aspect of their application remained in the ability to make the...
Show moreA wide variety of nanomaterials ranging from polymer assemblies to organic and inorganic nanostructures (particles, wires, rods etc) have been actively pursued in recent years for various applications. The synthesis route of these nanomaterials had been driven through two fundamental approaches - Ã‚Â'Top downÃ‚Â' and Ã‚Â'Bottom upÃ‚Â'. The key aspect of their application remained in the ability to make the nanomaterials suitable for targeted location by manipulating their structure and functionalizing with active target groups. Functional nanomaterials like polyelectrolyte based multilayered thin films, nanofibres and graphene based composite materials are highlighted in the current research. Multilayer thin films were fabricated by conventional dip coating and newly developed spray coating techniques. Spray coating technique has an advantage of being applied for large scale production as compared to the dip coating technique. Conformal hydrophobic/hydrophilic and superhydrophobic/hydrophilic thermal switchable surfaces were fabricated with multilayer films of poly(allylaminehydrochloride) (PAH) and silica nanoparticles by the dip coating technique, followed by the functionalization with thermosensitive polymer-poly(N-isopropylacrylamide)(PNIPAAM) and perfluorosilane. The thermally switchable superhydrophobic/ hydrophilic polymer patch was integrated in a microfluidic channel to act as a stop valve. At 70 degree centigrade, the valve was superhydrophobic and stopped the water flow (close status) while at room temperature, the patch became hydrophilic, and allowed the flow (open status). Spray-coated multilayered film of poly(allylaminehydrochloride) (PAH) and silica nanoparticles was fabricated on polycarbonate substrate as an anti-reflection (AR) coating. The adhesion between the substrate and the coating was enhanced by treating the polycarbonate surface with aminopropyltrimethoxylsilane (APTS) and sol-gel. The coating was finally made abrasion-resistant with a further sol-gel treatment on top of AR coating, which formed a hard thin scratch-resistant film on the coating. The resultant AR coating could reduce the reflection from 5 to 0.3% on plastic. Besides multilayered films, the fabrication of polyelectrolyte based electrospun nanofibers was also explored. Ultrathin nanofibers comprising 2-weak polyelectrolytes, poly(acrylic acid) (PAA) and poly(allylaminehydrochloride) (PAH) were fabricated using the electrospinning technique and methylene blue (MB) was used as a model drug to evaluate the potential application of the fibers for drug delivery. The release of MB was controlled in a nonbuffered medium by changing the pH of the solution. Temperature controlled release of MB was obtained by depositing temperature sensitive PAA/poly(N-isopropylacrylamide) (PNIPAAM) multilayers onto the fiber surfaces. The sustained release of MB in a phosphate buffered saline (PBS) solution was achieved by constructing perfluorosilane networks on the fiber surfaces as capping layers. The fiber was also loaded with a real life anti-depressant drug (2,3-tertbutyl-4-methoxyphenol) and fiber surface was made superhydrophobic. The drug loaded superhydrophobic nanofiber mat was immersed under water, phosphate buffer saline and surfactant solutions in three separated experiments. The rate of release of durg was monitored from the fiber surface as a result of wetting with different solutions. Time dependent wetting of the superhydrophobic surface and consequently the release of drug was studied with different concentrations of surfactant solutions. The results provided important information about the underwater superhydrophobicity and retention time of drug in the nanofibers. The nanostructured polymers like nanowires, nanoribbons and nanorods had several other applications too, based on their structure. Different self-assembled structures of semiconducting polymers showed improved properties based on their architectures. Poly(3-hexylthiophene) (P3HT) supramolecular structures were fabricated on P3HT-dispersed reduced graphene oxide (RGO) nanosheets. P3HT was used to disperse RGO in hot anisole/N, N-dimethylformamide solvents, and the polymer formed nanowires on RGO surfaces through a RGO induced crystallization process. The Raman spectroscopy confirmed the interaction between P3HT and RGO, which allowed the manipulation of the composite's electrical properties. Such a bottom-up approach provided interesting information about graphene-based composites and inspired to study the interaction between RGO and the molecular semiconductor-tetrasulphonate salt of copper phthalocyanine (TSCuPc) for nanometer-scale electronics. The reduction of graphene oxide in presence of TSCuPc produced a highly stabilized aqueous composite ink with monodispersed graphene sheets. To demonstrate the potential application of the donor (TSCuPc)Ã‚Â–acceptor (graphene) composite, the RGO/TSCuPc suspension was successfully incorporated in a thin film device and the optoelectronic property was measured. The conductivity (dark current) of the composite film decreased compared to that of pure graphene due to the donor molecule incorporation, but the photoconductivity and photoresponsivity increased to an appreciable extent. The property of the composite film overall improved with thermal annealing and optimum loading of TSCuPc molecules.
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Date Issued: 2010
Identifier: CFE0003292, ucf:48509
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0003292

Title: THE CONTEXTUAL IMPACT OF INCOME INEQUALITY ON SOCIAL CAPITAL AND ADVERSE SOCIAL OUTCOMES.
Creator: Schiff, Jeannie, Wan, Thomas, University of Central Florida
Abstract / Description: An interdisciplinary approach to policy and governance recognizes that many social welfare problems are interrelated, and policy-makers have long recognized a need to address the root causes of these problems. There is much evidence that income inequality is one of these root causes but research suggesting the effect of income inequality is mediated by social capital has complicated the relationship, as have theories of causality that take different approaches. This study takes an ecological...
Show moreAn interdisciplinary approach to policy and governance recognizes that many social welfare problems are interrelated, and policy-makers have long recognized a need to address the root causes of these problems. There is much evidence that income inequality is one of these root causes but research suggesting the effect of income inequality is mediated by social capital has complicated the relationship, as have theories of causality that take different approaches. This study takes an ecological approach to these issues to test the relationship between income inequality, social capital and selected adverse outcomes proposed by the relative income hypothesis. The relative income hypothesis posits that the impact of income inequality on adverse outcomes is mediated by social capital. The study used a retrospective cross-sectional design to analyze county-level data for the year 2000 with a structural equation model composed of three constructs: income inequality, modeled by four common measures; a social capital construct based on a model developed by Rupasingha, Goetz and Freshwater (2006); and an adverse outcomes construct designed as a parsimonious measure of social outcomes in four public affairs disciplinary areas. The test of the path presumed by the relative income hypothesis revealed both a direct effect of income inequality and indirect effect of inequality through social capital. However, the direct effect of income inequality on outcomes was significantly larger than the indirect effect, indicating the relationship is moderated, rather than mediated, by social capital. Since the impact of social capital on the selected adverse outcomes was relatively small, and the final model failed to achieve statistical significance, the relative income hypothesis that income inequality exerts its primary effect on outcomes through social capital was rejected.
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Date Issued: 2010
Identifier: CFE0003205, ucf:48574
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0003205

Title: Novel Computational Methods for Integrated Circuit Reverse Engineering.
Creator: Meade, Travis, Zhang, Shaojie, Jin, Yier, Orooji, Ali, Zou, Changchun, Lin, Mingjie, University of Central Florida
Abstract / Description: Production of Integrated Circuits (ICs) has been largely strengthened by globalization. System-on-chip providers are capable of utilizing many different providers which can be responsible for a single task. This horizontal structure drastically improves to time-to-market and reduces manufacturing cost. However, untrust of oversea foundries threatens to dismantle the complex economic model currently in place. Many Intellectual Property (IP) consumers become concerned over what potentially...
Show moreProduction of Integrated Circuits (ICs) has been largely strengthened by globalization. System-on-chip providers are capable of utilizing many different providers which can be responsible for a single task. This horizontal structure drastically improves to time-to-market and reduces manufacturing cost. However, untrust of oversea foundries threatens to dismantle the complex economic model currently in place. Many Intellectual Property (IP) consumers become concerned over what potentially malicious or unspecified logic might reside within their application. This logic which is inserted with the intention of causing harm to a consumer has been referred to as a Hardware Trojan (HT).To help IP consumers, researchers have looked into methods for finding HTs. Such methods tend to rely on high-level information relating to the circuit, which might not be accessible. There is a high possibility that IP is delivered in the gate or layout level. Some services and image processing methods can be leveraged to convert layout level information to gate-level, but such formats are incompatible with detection schemes that require hardware description language.By leveraging standard graph and dynamic programming algorithms a set of tools is developed that can help bridge the gap between gate-level netlist access and HT detection. To help in this endeavor this dissertation focuses on several problems associated with reverse engineering ICs. Logic signal identification is used to find malicious signals, and logic desynthesis is used to extract high level details.Each of the proposed method have their results analyzed for accuracy and runtime. It is found that method for finding logic tends to be the most difficult task, in part due to the degree of heuristic's inaccuracy. With minor improvements moderate sized ICs could have their high-level function recovered within minutes, which would allow for a trained eye or automated methods to more easily detect discrepancies within a circuit's design.
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Date Issued: 2017
Identifier: CFE0006896, ucf:51716
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0006896

Title: Exploring Repurposing Across Contexts: How Adolescents' New Literacies Practices Can Inform Understandings about Writing-Related Transfer.
Creator: Mitchell, Cynthia, Wardle, Elizabeth, Rounsaville, Angela, Vie, Stephanie, Scanlon, Elizabeth, University of Central Florida
Abstract / Description: This project examines how middle school students engage in new literacies practices and how they repurpose across contexts. With the use of screencast software and interviews, this project analyzes six case study participants' new literacies practices and the way they use and change ideas and strategies across physical and digital contexts.Drawing from transfer methodology, this project looks at how broadening conceptions of transfer and contexts to include repurposing increases the...
Show moreThis project examines how middle school students engage in new literacies practices and how they repurpose across contexts. With the use of screencast software and interviews, this project analyzes six case study participants' new literacies practices and the way they use and change ideas and strategies across physical and digital contexts.Drawing from transfer methodology, this project looks at how broadening conceptions of transfer and contexts to include repurposing increases the possibilities for finding transfer in literacies practices. Applying new literacies theory, this project explores how literacies practices that are chronologically and ontologically new (Lankshear (&) Knobel, 2006) are often repurposed across contexts. In addition, employing rhetorical invention and arrangement theories, this project examines how contemporary invention is repurposing and how arrangement aids in meaning making in new literacies practices. It also explores concerns over increased repurposing across collapsed contexts for literacies.
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Date Issued: 2016
Identifier: CFE0006145, ucf:51160
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0006145

Title: A multi-scale approach to study Solid Oxide Fuel Cells: from Mechanical Properties and Crystal Structure of the Cell's Materials to the Development of an Interactive and Interconnected Educational Tool.
Creator: Aman, Amjad, Orlovskaya, Nina, Xu, Yunjun, Das, Tuhin, University of Central Florida
Abstract / Description: Solid Oxide Fuel Cells are energy conversion devices that convert chemical energy of a fuel directly into electrical energy. They are known for being fuel-flexible, have minimal harmful emissions, ideal for combined heat and power applications, highly energy-efficient when combined with gas or steam turbines. The current challenges facing the widespread adoption these fuel cells include cost reduction, long-term testing of fully integrated systems, improving the fuel cell stack and system...
Show moreSolid Oxide Fuel Cells are energy conversion devices that convert chemical energy of a fuel directly into electrical energy. They are known for being fuel-flexible, have minimal harmful emissions, ideal for combined heat and power applications, highly energy-efficient when combined with gas or steam turbines. The current challenges facing the widespread adoption these fuel cells include cost reduction, long-term testing of fully integrated systems, improving the fuel cell stack and system performance, and studies related to reliability, robustness and durability. The goal of this dissertation is to further the understanding of the mechanical properties and crystal structure of materials used in the cathode and electrolyte of solid oxide fuel cells, as well as to report on the development of a supplementary educational tool that could be used in course related to fuel cells. The first part of the dissertation relates to the study of LaCoO3 based perovskites that are used as cathode material in solid oxide fuel cells and in other energy-related applications. In-situ neutron diffraction of LaCoO3 perovskite during uniaxial compression was carried out to study crystal structure evolution and texture development. In this study, LaCoO3 was subjected to two cycles of uniaxial loading and unloading with the maximum stress value being 700-900 MPa. The in-situ neutron diffraction revealed the dynamic crystallographic changes occurring which is responsible for the non-linear ferroelastic deformation and the appearance of hysteresis in LaCoO3. At the end of the first cycle, irreversible strain was observed even after the load was removed, which is caused by non-recoverable domain reorientation and texture development. At the end of the second cycle, however, no irreversible strain was observed as domain reorientation seemed fully recovered. Elastic constants were calculated and Young's modulus was estimated for LaCoO3 single crystals oriented along different crystallographic directions. The high temperature mechanical behavior study of LaCoO3 based perovskites is also of prime importance as solid oxide fuel cells operate at high temperatures. Incidentally, it was observed that as opposed to the behavior of most materials, LaCoO3 exhibits stiffening between 700 oC to 900 oC, with the Young's modulus going from a value of ~76 GPa at room temperature to ~120 GPa at 900 oC. In-situ neutron diffraction, XRD and Raman spectroscopy were used to study structural changes occurring in the material as it was heated. The results from these experiments will be discussed.The next portion of the dissertation will focus on electrolytes. Numerical simulation was carried out in order to predict the non-linear load-stress relationship and estimation of biaxial flexure strength in layered electrolytes, during ring-on-ring mechanical testing.Finally, the development of an interactive and inter-connected educational software is presented that could serve as a supplementary tool to teach fuel cell related topics.
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Date Issued: 2016
Identifier: CFE0006436, ucf:51467
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0006436

Title: Laser Spark Ignition of Counter-flow Diffusion Flames: Effects of diluents and diffusive-thermal properties.
Creator: Sime Segura, Fidelio, Deng, Weiwei, Chen, Ruey-Hung, Kapat, Jayanta, University of Central Florida
Abstract / Description: A pulsed Nd:YAG laser is used to study laser spark ignition of methane counter-flow diffusion flames with the use of helium and argon as diluents to achieve a wide range of variations in transport properties. The global strain rate and Damk(&)#246;hler number on successful ignition were investigated for the effects of Lewis number and transport properties, which are dependent on the diluent type and dilution level. A high-speed camera is used to record the ignition events and a software is...
Show moreA pulsed Nd:YAG laser is used to study laser spark ignition of methane counter-flow diffusion flames with the use of helium and argon as diluents to achieve a wide range of variations in transport properties. The global strain rate and Damk(&)#246;hler number on successful ignition were investigated for the effects of Lewis number and transport properties, which are dependent on the diluent type and dilution level. A high-speed camera is used to record the ignition events and a software is used for pre-ignition flow field and mixing calculations. It is found that the role of effective Lewis number on the critical global strain rate, beyond which ignition is not possible, is qualitatively similar that on the extinction strain rate. With the same level of dilution, the inert diluent with smaller Lewis number yields larger critical global strain rate. The critical Damk(&)#246;hler number below which no ignition is possible is found to be within approximately 20% for all the fuel-inert gas mixtures studied. When successful ignition takes place, the ignition time increases as the level of dilution of argon is increased. The ignition time decreases with increasing level of helium dilution due to decreases in thermal diffusion time, which causes rapid cooling of the flammable layer during the ignition process. However, the critical strain for ignition with helium dilution rapidly decreases as the dilution level is increased. The experimental results show that with the increase of strain rate the time to steady flame decreases, and that with the increase of dilution level time for the flame to become steady increases. For the same level of dilution, the time for steady flame is observed to be longer for He-diluted flames than for Ar-diluted flames due to its thermal diffusivity being larger than that of Ar.
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Date Issued: 2012
Identifier: CFE0004295, ucf:49467
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0004295

Title: NONLINEAR OPTICAL PROPERTIES OF ORGANIC CHROMOPHORES CALCULATED WITHIN TIME DEPENDENT DENSITY FUNCTIONAL THEORY.
Creator: Tafur, Sergio, Kokoouline, Viatcheslav, University of Central Florida
Abstract / Description: Time Dependent Density Functional Theory offers a good accuracy/computational cost ratio among different methods used to predict the electronic structure for molecules of practical interest. The Coupled Electronic Oscillator (CEO) formalism was recently shown to accurately predict Nonlinear Optical (NLO) properties of organic chromophores when combined with Time Dependent Density Functional Theory. Unfortunately, CEO does not lend itself easily to interpretation of the structure activity...
Show moreTime Dependent Density Functional Theory offers a good accuracy/computational cost ratio among different methods used to predict the electronic structure for molecules of practical interest. The Coupled Electronic Oscillator (CEO) formalism was recently shown to accurately predict Nonlinear Optical (NLO) properties of organic chromophores when combined with Time Dependent Density Functional Theory. Unfortunately, CEO does not lend itself easily to interpretation of the structure activity relationships of chromophores. On the other hand, the Sum Over States formalism in combination with semiempirical wavefunction methods has been used in the past for the design of simplified essential states models. These models can be applied to optimization of NLO properties of interest for applications. Unfortunately, TD-DFT can not be combined directly with SOS because state-to-state transition dipoles are not defined in the linear response TD approach. In this work, a second order CEO approach to TD-DFT is simplified so that properties of double excited states and state-to-state transition dipoles may be expressed through the combination of linear response properties. This approach is termed the a posteriori Tamm-Dancoff approximation (ATDA), and validated against high-level wavefunction theory methods. Sum over States (SOS) and related Two-Photon Transition Matrix formalism are then used to predict Two-Photon Absorption (2PA) profiles and anisotropy, as well as Second Harmonic Generation (SHG) properties. Numerical results for several conjugated molecules are in excellent agreement with CEO and finite field calculations, and reproduce experimental measurements well.
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Date Issued: 2007
Identifier: CFE0001853, ucf:47372
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0001853

Title: Optical Properties of Single Nanoparticles and Two-dimensional Arrays of Plasmonic Nanostructures.
Creator: Zhou, Yadong, Zou, Shengli, Harper, James, Zhai, Lei, Chen, Gang, Zheng, Qipeng, University of Central Florida
Abstract / Description: The tunability of plasmonic properties of nanomaterials makes them promising in many applications such as molecular detection, spectroscopy techniques, solar energy materials, etc. In the thesis, we mainly focus on the interaction between light with single nanoparticles and two-dimensional plasmonic nanostructures using electrodynamic methods. The fundamental equations of electromagnetic theory: Maxwell's equations are revisited to solve the problems of light-matter interaction, particularly...
Show moreThe tunability of plasmonic properties of nanomaterials makes them promising in many applications such as molecular detection, spectroscopy techniques, solar energy materials, etc. In the thesis, we mainly focus on the interaction between light with single nanoparticles and two-dimensional plasmonic nanostructures using electrodynamic methods. The fundamental equations of electromagnetic theory: Maxwell's equations are revisited to solve the problems of light-matter interaction, particularly the interaction of light and noble nanomaterials, such as gold and silver. In Chapter 1, Stokes parameters that describe the polarization states of electromagnetic wave are presented. The scattering and absorption of a particle with an arbitrary shape are discussed. In Chapter 2, several computational methods for solving the optical response of nanomaterials when they are illuminated by incident light are studied, which include the Discrete Dipole Approximation (DDA) method, the coupled dipole (CD) method, etc. In Chapter 3, the failure and reexamination of the relation between the Raman enhancement factor and local enhanced electric field intensity is investigated by placing a molecular dipole in the vicinity of a silver rod. Using a silver rod and a molecular dipole, we demonstrate that the relation generated using a spherical nanoparticle cannot simply be applied to systems with particles of different shapes. In Chapter 4, a silver film with switchable total transmission/reflection is discussed. The film is composed of two-dimensional rectangular prisms. The factors affecting the transmission (reflection) as well as the mechanisms leading to the phenomena are studied. Later, in Chapter 5 and 6, the sandwiched nano-film composed of two 2D rectangular prisms arrays and two glass substrates with a continuous film in between is examined to enhance the transmission of the continuous silver film.
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Date Issued: 2018
Identifier: CFE0007117, ucf:51943
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0007117

Title: AN ADAPTIVE MODULAR REDUNDANCY TECHNIQUE TO SELF-REGULATE AVAILABILITY, AREA, AND ENERGY CONSUMPTION IN MISSION-CRITICAL APPLICATIONS.
Creator: Al-Haddad, Rawad, DeMara, Ronald, University of Central Florida
Abstract / Description: As reconfigurable devices' capacities and the complexity of applications that use them increase, the need for self-reliance of deployed systems becomes increasingly prominent. A Sustainable Modular Adaptive Redundancy Technique (SMART) composed of a dual-layered organic system is proposed, analyzed, implemented, and experimentally evaluated. SMART relies upon a variety of self-regulating properties to control availability, energy consumption, and area used, in dynamically-changing...
Show moreAs reconfigurable devices' capacities and the complexity of applications that use them increase, the need for self-reliance of deployed systems becomes increasingly prominent. A Sustainable Modular Adaptive Redundancy Technique (SMART) composed of a dual-layered organic system is proposed, analyzed, implemented, and experimentally evaluated. SMART relies upon a variety of self-regulating properties to control availability, energy consumption, and area used, in dynamically-changing environments that require high degree of adaptation. The hardware layer is implemented on a Xilinx Virtex-4 Field Programmable Gate Array (FPGA) to provide self-repair using a novel approach called a Reconfigurable Adaptive Redundancy System (RARS). The software layer supervises the organic activities within the FPGA and extends the self-healing capabilities through application-independent, intrinsic, evolutionary repair techniques to leverage the benefits of dynamic Partial Reconfiguration (PR). A SMART prototype is evaluated using a Sobel edge detection application. This prototype is shown to provide sustainability for stressful occurrences of transient and permanent fault injection procedures while still reducing energy consumption and area requirements. An Organic Genetic Algorithm (OGA) technique is shown capable of consistently repairing hard faults while maintaining correct edge detector outputs, by exploiting spatial redundancy in the reconfigurable hardware. A Monte Carlo driven Continuous Markov Time Chains (CTMC) simulation is conducted to compare SMART's availability to industry-standard Triple Modular Technique (TMR) techniques. Based on nine use cases, parameterized with realistic fault and repair rates acquired from publically available sources, the results indicate that availability is significantly enhanced by the adoption of fast repair techniques targeting aging-related hard-faults. Under harsh environments, SMART is shown to improve system availability from 36.02% with lengthy repair techniques to 98.84% with fast ones. This value increases to "five nines" (99.9998%) under relatively more favorable conditions. Lastly, SMART is compared to twenty eight standard TMR benchmarks that are generated by the widely-accepted BL-TMR tools. Results show that in seven out of nine use cases, SMART is the recommended technique, with power savings ranging from 22% to 29%, and area savings ranging from 17% to 24%, while still maintaining the same level of availability.
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Date Issued: 2011
Identifier: CFE0003993, ucf:48660
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0003993

Title: Modeling Repair Patches of Ship Hull and Studying the Effect of Their Orientation on Stresses.
Creator: Enwegy, Halima, Moslehy, Faissal, Kassab, Alain, Bai, Yuanli, University of Central Florida
Abstract / Description: The hull is the most important structural part of any maritime vessel. It must be adequately designed to withstand the harsh sailing environmental conditions and associated forces. In the past, the basic material used to manufacture the ship hull was wood, where the hull was usually shaped as cylindrical wooden shanks. In the present, hull designs have developed to steel columns or stiffened panels that are made of different types of materials. Panels that are stiffened orthogonally in two or...
Show moreThe hull is the most important structural part of any maritime vessel. It must be adequately designed to withstand the harsh sailing environmental conditions and associated forces. In the past, the basic material used to manufacture the ship hull was wood, where the hull was usually shaped as cylindrical wooden shanks. In the present, hull designs have developed to steel columns or stiffened panels that are made of different types of materials. Panels that are stiffened orthogonally in two or more directions and have nine independent material constants are defined as orthotropic panels, and they achieve high specific strength.This thesis presents the effect of different patch orientations on the resulting strain and stress concentrations at the area of interaction between the panel and the patch. As it is known, the behavior of stiffened plates is affected by several important parameters, e.g., length to width ratio of the panel, stiffener geometry and spacing, aspect ratio for plates between stiffeners, plate slenderness, von Mises stresses, initial distortions, boundary conditions, and type of loading. A finite element model of the ship hull has been developed and run on ABAQUS (commercially available finite element software). The stiffened panel and patch are modeled as equivalent orthotropic plates made of steel. The panel edges are considered to be simply supported, and uniaxial tension was applied to the equivalent stiffened panel in addition to the lateral pressure (from water interaction). The developed model successfully predicted the optimal orientation of the panel for maximum stress concentration reduction. Moreover, in order to minimize the severe conditions caused by the mismatch that occurs if the material properties of the patch and the panel are the same during the patching process, it is necessary to stiffened the patch more than the panel. The developed model also suggested that an isotropic layer be added at the interaction to decrease the severity of arising stresses.
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Date Issued: 2014
Identifier: CFE0005162, ucf:50701
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0005162

Title: Daytona Highlands: Florida's suburb of hills and lakes.
Creator: PALMM (Project)
Abstract / Description: Folded brochure advertising the suburb Daytona Highlands which was started in 1924 as a golf and country club style community. It features the Tarragona Tower entrance, part of which still stands today.
Date Issued: 1924
Identifier: AAC3718QF00001/29/200704/19/200715327BnamI D0QF, FHP C CF 2007-01-29, FIPS12127, FCLA url 20070409xOCLC, 123286911, CF00001740, 2703411, ucf:21832
Format: E-book
PURL: http://purl.flvc.org/fcla/tc/fhp/CF00001740.jpg

Title: Prediction of Optical Properties of Pi-Conjugated Organic Materials for Technological Innovations.
Creator: Nayyar, Iffat, Masunov, Artem, Saha, Haripada, Stolbov, Sergey, Gesquiere, Andre, University of Central Florida
Abstract / Description: Organic ?-conjugated solids are promising candidates for new optoelectronic materials. The large body of evidence points at their advantageous properties such as high charge-carrier mobility, large nonlinear polarizability, mechanical flexibility, simple and low cost fabrication and superior luminescence. They can be used as nonlinear optical (NLO) materials with large two-photon absorption (2PA) and as electronic components capable of generating nonlinear neutral (excitonic) and charged ...
Show moreOrganic ?-conjugated solids are promising candidates for new optoelectronic materials. The large body of evidence points at their advantageous properties such as high charge-carrier mobility, large nonlinear polarizability, mechanical flexibility, simple and low cost fabrication and superior luminescence. They can be used as nonlinear optical (NLO) materials with large two-photon absorption (2PA) and as electronic components capable of generating nonlinear neutral (excitonic) and charged (polaronic) excitations. In this work, we investigate the appropriate theoretical methods used for the (a) prediction of 2PA properties for rational design of organic materials with improved NLO properties, and (b) understanding of the essential electronic excitations controlling the energy-transfer and charge-transport properties in organic optoelectronics. Accurate prediction of these electro-optical properties is helpful for structure-activity relationships useful for technological innovations.In Chapter 1 we emphasize on the potential use of the organic materials for these two applications. The 2PA process is advantageous over one-photon absorption for deep-tissue fluorescence microscopy, photodynamic therapy, microfabrication and optical data storage owing to the three-dimensional spatial selectivity and improved penetration depth in the absorbing or scattering media. The design of the NLO materials with large 2PA cross-sections may reduce the optical damage due to the use of the high intensity laser beams for excitation. The organic molecules also possess self-localized excited states which can decay radiatively or nonradiatively to form excitonic states. This suggests the use of these materials in the electroluminescent devices such as light-emitting diodes and photovoltaic cells through the processes of exciton formation or dissociation, respectively. It is therefore necessary to understand ultrafast relaxation processes required in understanding the interplay between the efficient radiative transfer between the excited states and exciton dissociation into polarons for improving the efficiency of these devices. In Chapter 2, we provide the detailed description of the various theoretical methods applied for the prediction as well as the interpretation of the optical properties of a special class of substituted PPV [poly (p-phenylene vinylene)] oligomers. In Chapter 3, we report the accuracy of different second and third order time dependent density functional theory (TD-DFT) formalisms in prediction of the 2PA spectra compared to the experimental measurements for donor-acceptor PPV derivatives. We recommend a posteriori Tamm-Dancoff approximation method for both qualitative and quantitative analysis of 2PA properties. Whereas, Agren's quadratic response methods lack the double excitations and are not suitable for the qualitative analysis of the state-specific contributions distorting the overall quality of the 2PA predictions. We trace the reasons to the artifactual excited states above the ionization threshold. We also study the effect of the basis set, geometrical constraints and the orbital exchange fraction on the 2PA excitation energies and cross-sections. Higher exchange (BMK and M05-2X) and range-separated (CAM-B3LYP) hybrid functionals are found to yield inaccurate predictions both quantitatively and qualitatively. The failure of the exchange-correlation (XC) functionals with correct asymptotic is traced to the inaccurate transition dipoles between the valence states, where functionals with low HF exchange succeed. In Chapter 4, we test the performance of different semiempirical wavefunction theory methods for the prediction of 2PA properties compared to the DFT results for the same set of molecules. The spectroscopic parameterized (ZINDO/S) method is relatively better than the general purpose parameterized (PM6) method but the accuracy is trailing behind the DFT methods. The poor performances of PM6 and ZINDO/S methods are attributed to the incorrect description of excited-to-excited state transition and 2PA energies, respectively. The different semiempirical parameterizations can at best be used for quantitative analysis of the 2PA properties. The ZINDO/S method combined with different orders of multi-reference configuration interactions provide an improved description of 2PA properties. However, the results are observed to be highly dependent on the specific choice for the active space, order of excitation and reference configurations.In Chapter 5, we present a linear response TD-DFT study to benchmark the ability of existing functional models to describe the extent of self-trapped neutral and charged excitations in PPV and its derivative MEH-PPV considered in their trans-isomeric forms. The electronic excitations in question include the lowest singlet (S1) and triplet (T1†) excitons, positive (P+) and negative (P-) polarons and the lowest triplet (T1) states. Use of the long-range-corrected DFT functional, such as LC-wPBE, is found to be crucial in order to predict the physically correct spatial localization of all the electronic excitations in agreement with experiment. The inclusion of polarizable dielectric environment play an important role for the charged states. The particle-hole symmetry is preserved for both the polymers in trans geometries. These studies indicate two distinct origins leading to self-localization of electronic excitations. Firstly, distortion of molecular geometry may create a spatially localized potential energy well where the state wavefunction self-traps. Secondly, even in the absence of geometric and vibrational dynamics, the excitation may become spatially confined due to energy stabilization caused by polarization effects from surrounding dielectric medium.In Chapter 6, we aim to separate these two fundamental sources of spatial localization. We observe the electronic localization of P+ and P- is determined by the polarization effects of the surrounding media and the character of the DFT functional. In contrast, the self-trapping of the electronic wavefunctions of S1 and T1(T1†) mostly follows their lattice distortions. Geometry relaxation plays an important role in the localization of the S1 and T1† excitons owing to the non-variational construction of the excited state wavefunction. While, mean-field calculated P+, P- and T1 states are always spatially localized even in ground state S0 geometry. Polaron P+ and P- formation is signified by the presence of the localized states for the hole or the electron deep inside the HOMO-LUMO gap of the oligomer as a result of the orbital stabilization at the LC-wPBE level. The broadening of the HOMO-LUMO band gap for the T1 exciton compared to the charged states is associated with the inverted bond length alternation observed at this level. The molecular orbital energetics are investigated to identify the relationships between state localization and the corresponding orbital structure.In Chapter 7, we investigate the effect of various conformational defects of trans and cis nature on the energetics and localization of the charged P+ and P- excitations in PPV and MEH-PPV. We observe that the extent of self-trapping for P+ and P- polarons is highly sensitive on molecular and structural conformations, and distribution of atomic charges within the polymers. The particle-hole symmetry is broken with the introduction of trans defects and inclusion of the polarizable environment in consistent with experiment. The differences in the behavior of PPV and MEH-PPV is rationalized based on their orbital energetics and atomic charge distributions. We show these isomeric defects influence the behavior and drift mobilities of the charge carriers in substituted PPVs.
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Date Issued: 2013
Identifier: CFE0005110, ucf:50722
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0005110

Title: Scandia and ceria stabilized zirconia based electrolytes and anodes for intermediate temperature solid oxide fuel cells: Manufacturing and properties.
Creator: Chen, Yan, Orlovskaya, Nina, An, Linan, Chen, Quanfang, Sohn, Yongho, Raghavan, Seetha, Huang, Xinyu, University of Central Florida
Abstract / Description: Scandia and ceria stabilized zirconia (10 mol% Sc2O3 (-) 1 mol% CeO2 (-) ZrO2, SCSZ) has superior ionic conductivity in the intermediate temperature range for the operation of solid oxide fuel cells, but it does not exhibit good phase stability in comparison with yttria stabilized zirconia (8 mol% Y2O3 (-) ZrO2, YSZ). To maintain high ionic conductivity and improve the stability of the electrolyte, layered structures with YSZ outer layers and SCSZ inner layers were designed, along with the...
Show moreScandia and ceria stabilized zirconia (10 mol% Sc2O3 (-) 1 mol% CeO2 (-) ZrO2, SCSZ) has superior ionic conductivity in the intermediate temperature range for the operation of solid oxide fuel cells, but it does not exhibit good phase stability in comparison with yttria stabilized zirconia (8 mol% Y2O3 (-) ZrO2, YSZ). To maintain high ionic conductivity and improve the stability of the electrolyte, layered structures with YSZ outer layers and SCSZ inner layers were designed, along with the referential electrolytes containing pure SCSZ or YSZ. The electrolytes were manufactured by tape casting, laminating, and pressureless sintering techniques. After sintering, while the thickness of YSZ outer layers remained constant at ~30 ?m, the thickness of inner layers of SCSZ for the 3-, 4- and 6-layer designs varied at ~30, ~60 and ~120 ?m, respectively. Selected characterizations were employed to study the structure, morphology, impurity content and the density of the electrolytes. Furthermore, in situ X-ray diffraction, neutron diffraction and Raman scattering were carried out to study the phase transition and lattice distortion during long-term annealing at 350 (&)deg;C and 275 (&)deg;C for SCSZ and YSZ, respectively, where the dynamic damping occurred when Young's modulus was measured.In YSZ/SCSZ electrolytes, thermal residual stresses and strains were generated due to the mismatch of coefficients of thermal expansion from each layer of different compositions. They could be adjusted by varying the thickness ratios of each layer in different designs of laminates. The theoretical residual stresses have been calculated for different thickness ratios. The effect of thermal residual stress on the biaxial flexural strength was studied in layered electrolytes. The biaxial flexure tests of electrolytes with various layered designs were performed using a ring-on-ring method at both room temperature and 800 (&)deg;C. The maximum principal stress during fracture indicated an increase of flexural strength in the electrolytes with layered structure at both temperatures in comparison with the electrolytes without compositional gradient. Such an increase of strength is the result of the existence of residual compressive stresses in the outer YSZ layer. In addition, Weibull statistics of the strength values were built for the layered electrolytes tested at room temperature, and the effect of thermal residual stresses on Weibull distribution was established. The calculation of residual stress present at the outer layers was verified. The high ionic conductivity was maintained with layered electrolyte designs in the intermediate temperature range. It was also established that the ionic conductivity of layered electrolytes exhibited 7% (-) 11% improvement at 800 (&)deg;C due to the stress/strain effects, and the largest improvements in a certain electrolyte was found to nearly coincide with the largest residual compressive strain in the outer YSZ layer.In addition to the study of layered electrolytes, mechanical properties of porous Ni/SCSZ cermet were studied. The anode materials were reduced by 65 wt% NiO (-) 35 wt% SCSZ (N65) and 50 wt% NiO (-) 50 wt% SCSZ (N50) porous ceramics in the forming gas. Young's modulus as well as strength and fracture toughness of non-reduced and reduced anodes has been measured, both at room and high temperatures. High temperature experiments were performed in the reducing environment of forming gas. It was shown that while at 700 (&)deg;C and 800 (&)deg;C the anode specimens exhibited purely brittle deformation, a brittle-to-ductile transition occurred at 800 (-) 900 (&)deg;C, and the anode deformed plastically at 900 (&)deg;C. Fractography of the anode specimens were studied to identify the fracture modes of the anodes tested at different temperatures.
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Date Issued: 2013
Identifier: CFE0005090, ucf:50750
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0005090

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