Materials Science and Engineering Commons^™

Ozone Reaction With Interior Building Materials: Influence Of Diurnal Ozone Variation, Temperature And Humidity, Donghyun Rim, Elliott T. Gall, Randy L. Maddalena, William W. Nazaroff

Mechanical and Materials Engineering Faculty Publications and Presentations

Elevated tropospheric ozone concentrations are associated with increased morbidity and mortality. Indoor ozone chemistry affects human exposure to ozone and reaction products that also may adversely affect health and comfort. Reactive uptake of ozone has been characterized for many building materials; however, scant information is available on how diurnal variation of ambient ozone influences ozone reaction with indoor surfaces. The primary objective of this study is to investigate ozone-surface reactions in response to a diurnally varying ozone exposure for three common building materials: ceiling tile, painted drywall, and carpet tile. A secondary objective is to examine the effects of air …

Determination Of The Polymerisation Rate Of A Low-Toxicity Diacetone Acrylamide-Based Holographic Photopolymer Using Raman Spectroscopy, Dervil Cody, Emilia Mihaylova, Luke O'Neill, Izabela Naydenova

Articles

The polymerisation rate of a low-toxicity Diacetone Acrylamide (DA)-based photopolymer has been measured for the first time using Raman spectroscopy. A value for the polymerisation rate of 0.020 s⁻¹ has been obtained for the DA photopolymer by modelling the polymerisation reaction dynamics as a stretched exponential or Kohlrausch decay function. This is significantly lower than the polymerisation rate of 0.100 s⁻¹ measured for the well known Acrylamide (AA)-based photopolymer composition. The effect of the additive glycerol on the polymerisation rate of the DA-based photopolymer has also been investigated. The inclusion of glycerol is observed to increase the rate …

Improving Response Characteristics Of Split Ring Resonators Using Experimental Designs, Omer Faruk Keskin

Engineering Management & Systems Engineering Theses & Dissertations

The purpose of this thesis is to investigate the application of design of experiments approaches in the analysis of split ring resonators, and to compare two different approaches. The design parameters of the meta-material device are examined to study all the main effects, the two factor interactions, and the curvature effects. A full factorial design and a central composite design is utilized for the study. The results in improving split ring resonator design are discussed.

This study shows that the design of experiments approaches can effectively be utilized to examine the effects on the response values of a specific type …

Dynamic Triaxial Compression Experiments On Borosilicate And Soda-Lime Glass, John T. Chojnacki

Open Access Theses

A series of compression experiments were performed on borosilicate and soda-lime glass using a triaxial compression Kolsky bar. The triaxial compression Kolsky bar differs from a traditional Kolsky bar by having two pressure chambers, one enclosing the specimen and the other enclosing the end of the transmission bar, so that a specimen may be pre-stressed axially and radially before a dynamic axial load is applied. The result is a modified Kolsky bar capable of measuring axial deformation and axial stresses of a specimen at various strain rates under a range of confinement pressures. Borosilicate glass was subjected to triaxial confinement …

Achieving Wing-Like Structural Response With Piezocomposite Unimorph Thin Plates, Francis Hauris

Mechanical & Aerospace Engineering Theses & Dissertations

This research investigates the geometric parameters that structurally influence static and dynamic bending and twisting of a wing-like plate when actuated with a surface-bonded piezoelectric material. The plate is parameterized using a finite element model that is validated by comparison with known analytical solutions. The geometric parameters analyzed for static and dynamic analysis are: the aspect ratio, actuator position, actuator angle, thickness-ratio of the active piezocomposite to the inactive substrate, and portion of the fixed end of the cantilevered structure that is fixed in the chordwise direction. For harmonically actuated cases, the resonant flapping frequency is also examined. Performance metrics …

The Effect Of A Reversible Shear Transformation On Plastic Deformation Of An Amorphous Solid, Nikolai V. Priezjev

Mechanical and Materials Engineering Faculty Publications

Molecular dynamics simulations are performed to investigate the plastic response of a model glass to a local shear transformation in a quiescent system. The deformation of the material is induced by a spherical inclusion that is gradually strained into an ellipsoid of the same volume and then reverted back into the sphere. We show that the number of cage-breaking events increases with increasing strain amplitude of the shear transformation. The results of numerical simulations indicate that the density of cage jumps is larger in the cases of weak damping or slow shear transformation. Remarkably, we also found that, for a …

High Temperature Oxidation Kinetics Of Dysprosium Particles, Brian J. Jaques, Darryl P. Butt

Materials Science and Engineering Faculty Publications and Presentations

Rare earth elements have been recognized as critical materials for the advancement of many strategic and green technologies. Recently, the United States Department of Energy has invested many millions of dollars to enhance, protect, and forecast their production and management. The work presented here attempts to clarify the limited and contradictory literature on the oxidation behavior of the rare earth metal, dysprosium. Dysprosium particles were isothermally oxidized from 500 to 1000 °C in N₂–(2%, 20%, and 50%) O₂ and Ar–20% O₂ using simultaneous thermal analysis techniques. Two distinct oxidation regions were identified at each isothermal temperature …

High-Frequency Electromagnetic Purification Of Silicon, Lucas Nana Wiredu Damoah, Lifeng Zhang

Materials Science and Engineering Faculty Research & Creative Works

The effect of a high-frequency electromagnetic (EM) field on the removal of nonmetallic inclusions from molten silicon was experimentally investigated. Inclusion separation efficiencies of up to 99 pct were reached. The separation efficiency was independent of the particle concentration in the melt and increased significantly with increases in the frequency, separation time, and coil current. Particles were separated from the silicon matrix and relocated to the top, bottom, and side walls of the crucible due to the effect of three mechanisms: induced secondary fluid flow which carried particles from the bulk of the melt; EM body force which worked in …

Structural And Functional Characterization Of A Lytic Polysaccharide Monooxygenase With Broad Substrate Specificity, Anna S. Borisova, Trine Isaksen, Maria Dimarogona, Abhishek A. Kognole, Geir Mathiesen, Anikó Várnai, Åsmund K. Røhr, Christina M. Payne, Morten Sørlie, Mats Sandgren, Vincent G. H. Eijsink

Chemical and Materials Engineering Faculty Publications

The recently discovered lytic polysaccharide monooxygenases (LPMOs) carry out oxidative cleavage of polysaccharides and are of major importance for efficient processing of biomass. NcLPMO9C from Neurospora crassa acts both on cellulose and on non-cellulose β-glucans, including cellodextrins and xyloglucan. The crystal structure of the catalytic domain of NcLPMO9C revealed an extended, highly polar substrate-binding surface well suited to interact with a variety of sugar substrates. The ability of NcLPMO9C to act on soluble substrates was exploited to study enzyme-substrate interactions. EPR studies demonstrated that the Cu²⁺ center environment is altered upon substrate binding, whereas isothermal titration …

Molecular Helices As Electron Acceptors In High-Performance Bulk Heterojunction Solar Cells, Yu Zhong, M. Tuan Trinh, Rongsheng Chen, Geoffrey E. Purdum, Petr P. Khlyabich, Melda Sezen, Seokjoon Oh, Haiming Zhu, Brandon Fowler, Boyuan Zhang, Wei Wang, Chang-Yong Nam, Matthew Y. Sfeir, Charles T. Black, Michael L. Steigerwald, Yueh-Lin Loo, Fay Ng, X.-Y. Zhu, Colin Nuckolls

Publications and Research

Despite numerous organic semiconducting materials synthesized for organic photovoltaics in the past decade, fullerenes are widely used as electron acceptors in highly efficient bulk-heterojunction solar cells. None of the non-fullerene bulk heterojunction solar cells have achieved efficiencies as high as fullerene-based solar cells. Design principles for fullerene-free acceptors remain unclear in the field. Here we report examples of helical molecular semiconductors as electron acceptors that are on par with fullerene derivatives in efficient solar cells. We achieved an 8.3% power conversion efficiency in a solar cell, which is a record high for non-fullerene bulk heterojunctions. Femtosecond transient absorption spectroscopy revealed …

Environmental Degradation Of Nickel-Based Superalloys Due To Gypsiferous Desert Dusts, Matthew B. Krisak

Theses and Dissertations

More than twenty-five years of continuous operation in the dusty environments of Southwest Asia have shown that degradation of gas turbine engine components due to particle ingestion is a serious threat to operations. In particular, the continued push for higher engine operating temperatures has brought a new emphasis to the damage mechanisms (for example CMAS glass formation and hot corrosion) caused by ingested particles forming molten deposits on engine components. Despite decades of research little progress has been made to mitigate the effects of CMAS and hot corrosion degradation to engine components. This research focused on hot corrosion specifically. A …

Characterization Of Point Defects In Lithium Aluminate (Lialo2) Single Crystals, Maurio S. Holston

Theses and Dissertations

Lithium aluminate (LiAlO₂) is an insulating wide-band gap material currently under development for tritium breeding and radiation detection and dosimetry applications. Point defects are imperfections in a crystal lattice localized over a few atomic lengths that can alter the electrical, mechanical, or optical properties of materials. An understanding of point defect behavior is a necessary precursor for optimizing lithium aluminate for nuclear applications. This dissertation has identified and characterized the major point defects created and induced through x-ray and neutron radiation using electron paramagnetic resonance and fluorescence spectroscopy, thermoluminescence, and optical absorption. This dissertation explains for the first …

Bio-Photoelectrochemical Solar Cells Incorporating Reaction Center And Reaction Center Plus Light Harvesting Complexes, Houman Yaghoubi

USF Tampa Graduate Theses and Dissertations

Harvesting solar energy can potentially be a promising solution to the energy crisis now and in the future. However, material and processing costs continue to be the most important limitations for the commercial devices. A key solution to these problems might lie within the development of bio-hybrid solar cells that seeks to mimic photosynthesis to harvest solar energy and to take advantage of the low material costs, negative carbon footprint, and material abundance. The bio-photoelectrochemical cell technologies exploit biomimetic means of energy conversion by utilizing plant-derived photosystems which can be inexpensive and ultimately the most sustainable alternative. Plants and photosynthetic …

Ductility And Use Of Titanium Alloy And Stainless Steel Aerospace Fasteners, Jarrod Talbott Whittaker

USF Tampa Graduate Theses and Dissertations

The main purpose of this thesis is to investigate the ductility and application of titanium alloys, like titanium 6Al-4V, when used in aerospace fasteners compared to more conventional stainless steel aerospace fasteners such as A286. There have been concerns raised about the safe usability of titanium 6-4 in the aerospace industry due to its lack of strain hardening. However, there is a lack of data pertaining to this concern of safe usage which this thesis aims to address. Tensile tests were conducted to find the ductility indexes of these fasteners which quantify the amount of plastic to elastic elongation. From …

An Investigation On The Band Gap And Band Edge Of Semi-Conducting Lanthanum Transition Metal Perovskites For Photocatalytic Applications, Divya Suresh

USF Tampa Graduate Theses and Dissertations

For the past few decades, a frenzy of attention has been given towards the development of an assortment of photocatalysts as a solution for various environmental problems. TiO2 is the most widely used photocatalyst. TiO2 is biocompatible, chemically and thermally stable but TiO2 and a vast majority other photocatalysts have large band gaps, and hence they find applicability only in the UV region of the solar spectrum. These large band gap photocatalysts suffer a severe limitation with regard to their overall process efficiency as the UV region contributes to about 3 to 4 % of the solar spectrum in terms …

Molexpl: A Tool For Ab Initio Data Exploration And Visualization, Xueying Wang, Nicolas Onofrio, Alejandro Strachan

The Summer Undergraduate Research Fellowship (SURF) Symposium

Density functional theory (DFT) based on ab initio theory, is a powerful method to resolve the electronic structure of atoms, molecules and solids. However, in practical, DFT is limited to few hundreds of atoms. To overcome this limitation, researchers have developed empirical interatomic potentials implemented in molecular dynamics (MD) simulations. MD ignores the movements of electrons and describes bonding and non-bonding interaction as a function of the distance between atoms called force fields (FF) or interatomic potentials. These empirical potentials are optimized against large datasets of DFT calculations relevant to describe the interactions between the atoms included in the training …

Long-Term Stability Of 14yt-4sc Alloy At High Temperature, Lulu Li, Weizong Xu, Mostafa Saber, Yuntian Zhu, Carl C. Koch, Ronald O. Scattergood

Mechanical and Materials Engineering Faculty Publications and Presentations

14YT alloy (Fe-14Cr-0.25wt.%Y2O3-0.4wt.%Ti) with 4 at.% Sc addition was previously reported to exhibit a nanoscale microstructure and high strength when annealed at temperatures up to 1000 °C (0.65Tm) for 1 hour. Here we report that the microstructure and mechanical behavior of 14YT-4Sc alloy after long-term annealing for up to 60 hours at 1000 °C. FIB analysis shows abnormal grain growth with annealing time, while a large fraction of the matrix still consists of nanoscale grains. TEM images reveal a slight growth of nano grains, with estimated grain growth exponent, n, to be 0.29. Sc-Ti-Y-O enriched nano oxide particles (nm) were …

The Role Of Biological Fluid And Dynamic Flow In The Behavior And Cellular Interactions Of Gold Nanoparticles, Emily K. Breitner, Saber M. Hussain, Kristen K. Comfort

Chemical and Materials Engineering Faculty Publications

Background: Due to their distinctive physicochemical properties, nanoparticles (NPs) have proven to be extremely advantageous for product and application development, but are also capable of inducing detrimental outcomes in biological systems. Standard in vitro methodologies are currently the primary means for evaluating NP safety, as vast quantities of particles exist that require appraisal. However, cell-based models are plagued by the fact that they are not representative of complex physiological systems. The need for a more accurate exposure model is highlighted by the fact that NP behavior and subsequent bioresponses are highly dependent upon their surroundings. Therefore, standard in vitro models …

Characterization Of Iron Phthalocyanine As The Cathode Active Material For Lithium-Ion Batteries, Sarwan S. Sandhu, Joseph P. Fellner

Chemical and Materials Engineering Faculty Publications

The developed thermodynamic functions for the determination of Gibbs free energy, enthalpy, and entropy of formation of solid lithium-iron phthalocyanine (LixFePc) from solid lithium and iron phthalocyanine as a function of x, defined as g-moles of the intercalated lithium per g-mole of iron phthalocyanine, at a fixed set of temperature and pressure conditions are presented. In addition, a proposed expression for the evaluation of lithium diffusion coefficient in solid iron phthalocyanine as a function of both x and temperature, and the experimental results from the ongoing research/development work on the lithium/iron phthalocyanine cells are included.

Stability And Decomposition Of Ca-Substituted Lanthanum Ferrite In Reducing Atmospheres, Patrick M. Price, Darryl P. Butt

Materials Science and Engineering Faculty Publications and Presentations

Calcium-substituted lanthanum ferrites (La_1–xCa_xFeO_3–δ x = 0, 0.1, 0.2, 0.3, 0.4) were synthesized in air and subsequently decomposed in reducing atmospheres. The partial pressure of oxygen (P_O2) was controlled by varying the H₂/H₂O ratio by bubbling hydrogen/argon mixtures through water baths at controlled temperatures. Three regions of mass loss were identified as the P_O2 was reduced, two of which were determined to be associated with decomposition reactions. Calcium was shown to decrease the thermal stability of the perovskite compound, but rather …

Production And Characterization Of Composite Nano/Micro Sized Particles By Rapid Expansion Of Supercritical Solutions (Ress) Co-Precipitation, Beidi He

Dissertations

Nanoscale composites of hexahydro-1, 3, 5-trinitro-1, 3, 5-triazine (RDX) and polymer binders were produced by co-precipitation using rapid expansion of supercritical solutions (RESS). The binders used in this study are poly (vinylidene fluoride-co-hexafluoropropylene) (VDF-HFP22), polystyrene (PS) and 7-amino-4-methyl coumarin (AMC). The RDX/VDF-HFP22 and RDX/PS co-precipitated nanoparticles were characterized by Field Emission Scanning Electron Microscopy (FE-SEM) and Transmission Electron Microscopy (TEM). The average size of produced nanoparticles is ca. 100 nm. TEM analysis of RDX/PS nano-composite shows a core-shell structure with RDX as the core material and the shell consisting of the polymeric binder. X-ray Powder Diffraction (XRPD) analysis …

Controlling Optical Absorption In Metamaterial Absorbers For Plasmonic Solar Cells, Wyatt Adams, Ankit Vora, Jephias Gwamuri, Joshua M. Pearce, Durdo O. Guney

Department of Materials Science and Engineering Publications

Metals in the plasmonic metamaterial absorbers for photovoltaics constitute undesired resistive heating. However, tailoring the geometric skin depth of metals can minimize resistive losses while maximizing the optical absorbance in the active semiconductors of the photovoltaic device. Considering experimental permittivity data for InxGa1-xN, absorbance in the semiconductor layers of the photovoltaic device can reach above 90%. The results here also provides guidance to compare the performance of different semiconductor materials. This skin depth engineering approach can also be applied to other optoelectronic devices, where optimizing the device performance demands minimizing resistive losses and power consumption, such as photodetectors, laser diodes, …

Effect Of Adsorption Potential On Co Oxidation At Au@Pt Nanoparticles Electrodes, A Surface Enhanced Raman Spectroscopic Study, Pu Zhang, Yi Wei, Yong-Li Zheng, Yan-Xia Chen, Zhong-Qun Tian

Journal of Electrochemistry

The adsorption/oxidation of CO on the 55 nm [email protected] nm Pt nanoparticles electrode in both potentiodynamic and potentiostatic modes were investigated by surface enhanced Raman spectroscopy in a thin layer electrochemical flow cell under controlled mass transport, with the aim of clarifying the origin CO oxidation at lower electrode potentials (in current pre-wave region of corresponding cyclic voltammograms). Our results demonstrated that the CO oxidation kinetics differed significantly from the three kinds of different CO adsorption history, with almost no CO oxidation current in the pre-peak potential region after 0.35 V_RHE CO adsorption with or without subsequent holding the …

Preparation And Enhanced Rate Capability Of Spinel Limn1.9Al0.1O3.95F0.05, Jun-Yan Hu, Meng-Meng Wang, Hong-Tao Liu

Journal of Electrochemistry

Spinel LiMn_1.9Al_0.1O_3.95F_0.05 cathode materials with good crystallinity were synthesized by a sol-gel process followed with a high-temperature solid reaction. The effects of partial substitution of Al for Mn, and F for O on the structure and the electrochemical performance were investigated. The results showed that LiMn_1.9Al_0.1O_3.95F_0.05 exhibited the same crystalline state as LiMn₂O₄, but much better electrochemical stability at higher rate cycling. As a result, LiMn_1.9Al_0.1O_3.95F_0.05 could maintain stable electrochemical lithium storage even suffering from …

Effect Of Carbon Nanotubes On Anodic Properties Of Ti/Ru-Ir-Sn Oxides, Feng Lian, Yong-Lei Xin, Bo-Jiang Ma, Li-Kun Xu

Journal of Electrochemistry

The Ru-Ir-Sn metal oxide anodes coated on titanium (Ti/Ru-Ir-Sn) were prepared by thermal decomposition. The effects of amounts of carbon naotubes (CNTs) on anodic properties were studied by TGA, SEM, EDS, cyclic voltammetry, EIS, polarization measurements and accelerated life test. The thermogravimetric analysis and EDS spectrum data showed that the high temperature oxidation decomposition of CNTs did not take place under the condition of the sintering temperature of 470 ℃, and the CNTS still existed in the anode coating in an element form. Compared with the contrast samples, the surface crack of the coating increased, but remained typical morphology. Adding …

An Investigation On Electrochemical Performance Of Supercapacitor Electrode Materials Prepared By Mno2 With Four Different Crystal Forms, Zhen-Kun Wei, Xiao-Zhen Hua, Ke Xiao, Xian-Liang Zhou, Zhi-Guo Ye

Journal of Electrochemistry

Four types of α-MnO₂, β-MnO₂, γ-MnO₂ and δ-MnO₂ powders were synthesized by relatively simple methods. The differences in crystal structures and surface morphologies for these forms of MnO₂ were investigated by using X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), thermogravimetric analysis (TGA) and specific surface area analysis (BET). The electrochemical performances were characterized by cyclic voltammetry (CV) and stability analysis. Based on the experimental results, four kinds of MnO₂ electrodes showed good capacity properties, and the α-MnO₂ electrode had the largest specific capacity due to the highest specific surface …

Broadband Sum-Frequency Generation Spectroscopic Invstigations Of Thiocyanate On Polycrystalline Au Electrode In Alkaline Solutions, Mei Xu, Jing-Jing Wang, Zhi-Chao Huangfu, Ng Ying Wa, Yu-Han He, Zhao-Hui Wang

Journal of Electrochemistry

Broadband sum frequency generation (BB-SFG) spectroscopy has been used to investigating the potential-dependent adsorption behaviors of thiocyanate ions on polycrystalline Au electrode in alkaline solutions. During the positive scan, a change in the Stark slope (dω_C-N/dE) for C—N stretching mode can be observed in the range of -1.1 V ~ 0.2 V (vs. SCE), which implies that the orientation of adsorbed thiocyanate ions at Au electrode surface changes from N-bound (dω_C-N/dE=45 cm^-1·V^-1) form to S-bound (dω_C-N/dE = 16.2 cm^-1·V^{-1 …}

Synthesis And Electrochemical Performance Of Mn3O4/Graphene Composites, Shan-Shan Yang, Qian Zhang, Xiong-Gui Lin, Ming-Sen Zheng, Quan-Feng Dong

Journal of Electrochemistry

The Mn₃O₄/Graphene composites were synthesized by hydrothermal method with the in-situ redox reaction of graphene oxide (GO) and manganese acetate (Mn(Ac)₂). The phase structures and morphologies of the materials were characterized by XRD, SEM and TEM. The XPS and IR techniques were used for studying the residual function groups of reduced graphene oxide (RGO). The electrochemical performances of the hybrids were tested in a coin cell. Results showed that the composites prepared with the addition of ammonia water (RM-A) have better performance. The graphenes in RM-A were better-reduced and the Mn₃O_{4 …}

Synthesis, Structure And Electrochemical Performance Of Na2Mnsio4/C Cathode Material For Na-Ion Batteries, Shou-Ding Li, Jiang-Huai Guo, Yong Xie, Jin-Xiao Mi, Yong Yang

Journal of Electrochemistry

As a promising cathode material for sodium ion batteries, pure phase Na₂MnSiO₄/C nanocomposite was successfully synthesized by a sol-gel method with a citric acid as a complex agent. The as prepared material was characterized by XRD, FTIR, SEM and TEM techniques. XRD and Rietveld refinement results indicated that the sample was indexed as monoclinic structure with space group of Pn. It was observed by SEM and TEM that the obtained product consisted of micro-scaled secondary particles, which were composed of NaMnSiO₄ nanocrystallites and amorphous carbon network. More importantly, the uniform carbon network in the …

Tungsten Carbide/Carbon Electrode Material Synthesized By Block Copolymer Template Method, Xiao-Ling Lang, Ye-Kun Jiang, Mei-Qin Shi, Ling-Zhi Kang, Chun-An Ma

Journal of Electrochemistry

At present, one of the major hurdles for commercialization of system with direct methanol fuel cell (DMFC) is still the requirement of a significant amount of platinum (Pt) catalyst to achieve an acceptable power density. Pt and Pt-based metals are expensive due to limited supplies. In order to find the catalyst alternative to the Pt metal, we selected tungsten carbide (WC) and its composites as the study object. We synthesized WC with carbon materials as the suitable support to modify the electronic structure and to increase the specific surface area of WC. In this study, tungsten carbide/carbon (WC/C) was prepared …