Materials Science and Engineering Commons^™

Dynamical Properties Of Ferroelectric Perovskites (Ba,Sr)Tio3 And Pb(Zr,Ti)O3 Systems From First Principles, Jeevaka Weerasinghe

Graduate Theses and Dissertations

A first-principles-based effective Hamiltonian scheme which incorporates coupling between ferroelectric (FE) and antiferrodistortive (AFD) motions is applied to Pb(Zr,Ti)O₃ alloys. It validates the existence of two modes of E symmetry (rather than the single E(1TO) soft mode) in the 50-75 cm^-1 range for temperatures smaller than 200 K and for compositions falling within the Rhombohedral R3c phase. Coupling between long-range-ordered FE and AFD motions is shown to be the cause of the additional mode and more insight into its nature is provided. This scheme is further used to reveal a field-induced anticrossing involving FE and AFD degrees of …

A Mean Curvature Model For Capillary Flows In Asymmetric Containers And Conduits, Yongkang Chen, Noël Tavan, Mark M. Weislogel

Mechanical and Materials Engineering Faculty Publications and Presentations

Capillarity-driven flows resulting from critical geometric wetting criterion are observed to yield significant shifts of the bulk fluid from one side of the container to the other during "zero gravity" experiments. For wetting fluids, such bulk shift flows consist of advancing and receding menisci sometimes separated by secondary capillary flows such as rivulet-like flows along gaps. Here we study the mean curvature of an advancing meniscus in hopes of approximating a critical boundary condition for fluid dynamics solutions. It is found that the bulk shift flows behave as if the bulk menisci are either “connected” or "disconnected." For the connected …

54th Rocky Mountain Conference On Analytical Chemistry

Rocky Mountain Conference on Magnetic Resonance

Final program, abstracts, and information about the 54th annual meeting of the Rocky Mountain Conference on Analytical Chemistry, co-endorsed by the Colorado Section of the American Chemical Society and the Society for Applied Spectroscopy. Held in Copper Mountain, Colorado, July 15-19, 2012.

Effect Of Disorder On Quantum Phase Transition In The Double Layered Ruthenates (Sr1−Xcax)3ru2o7effect Of Disorder On Quantum Phase Transition In The Double Layered Ruthenates (Sr1−Xcax)3ru2o7, Leonard Spinu, Zhe Qu, Jin Peng, Tijang Liu, David Forbes, Vkad Dobrosavljevic, Z Q. Mao

Physics Faculty Publications

(Sr_1−xCa_x)₃Ru₂O₇ is characterized by complex magnetic states, spanning from a long-range antiferromagnetically ordered state over an unusual heavy-mass nearly ferromagnetic (NFM) state to an itinerant metamagnetic (IMM) state. The NFM state, which occurs in the 0.4 > x > 0.08 composition range, freezes into a clusterspin glass (CSG) phase at low temperatures [Z. Qu et al., Phys. Rev. B 78, 180407(R) (2008)]. In this article, we present the scaling analyses of magnetization and the specific heat for (Sr_1−xCa_x)₃Ru₂O₇ in the 0.4 > x > 0.08 composition …

The Effect Of Polarization And Ingan Quantum Well Shape In Multiple Quantum Well Light Emitting Diode Heterostructures, Patrick M. Mcbride

Master's Theses

Previous research in InGaN/GaN light emitting diodes (LEDs) employing semi-classical drift-diffusion models has used reduced polarization constants without much physical explanantion. This paper investigates possible physical explanations for this effective polarization reduction in InGaN LEDs through the use of the simulation software SiLENSe. One major problem of current LED simulations is the assumption of perfectly discrete transitions between the quantum well (QW) and blocking layers when experiments have shown this to not be the case. The In concentration profile within InGaN multiple quantum well (MQW) devices shows much smoother and delayed transitions indicative of indium diffusion and drift during …

Multipolymer Interactions In Bulk Heterojunction Photovoltaic Devices, Grant Olson

Physics

Multipolymer photovoltaics, single layer devices made up of multiple photoactive polymers, can create organic photovoltaics (OPVs) with a wider spectral response than single polymer systems without the difficult fabrication of a tandem. Our group has successfully created multipolymer solar devices with 2% power conversion efficiency. We have analyzed the optical and electrical properties of these devices, and found that it may be possible for polymers to assist each other with charge extraction, though combining polymers disrupts single polymer crystallinity.

Real Time Shrinkage Studies In Photopolymer Films Using Holographic Interferometry, Mohesh Moothanchery, Izabela Naydenova, Viswanath Bavigadda, Suzanne Martin, Vincent Toal

Conference Papers

Polymerisation induced shrinkage is one of the main reasons why photopolymer materials are not more widely used for holographic applications. The aim of this study is to evaluate the shrinkage in an acrylamide photopolymer layer during holographic recording using holographic interferometry. Shrinkage in photopolymer layers can be measured by real time capture of holographic interferograms during holographic recording. Interferograms were captured using a CMOS camera at regular intervals. The optical path length change and hence the shrinkage were determined from the captured fringe patterns. It was observed that the photopolymer layer shrinkage is in the order of 3.5%.

Investigation Of Negative Differential Resistance Phenomena In Quantum Well Heterostructures, Nazariy Andrushchak

Graduate Theses and Dissertations

Increasing interest in entirely new possibilities for quantum mechanical description of carriers transport is becoming more evident with the developing advancements in epitaxial growth technique. Consequently, molecular beam epitaxy (MBE) technique is considered to be the most precise technique that allows the growth of ultra-thin layers of different compositions.

Those structures can be designed to investigate the wave-nature of carriers, which broadens the possibilities in device design and fabrication for a specific area. In this thesis the fundamental study of the real space charge transfer (RST) mechanism that took place in quantum well heterostructures and led to the negative differential …

Mott Transition And Electronic Structure In Complex Oxide Heterostructures, Jian Liu

Graduate Theses and Dissertations

Strongly correlated electron systems, particularly transition metal oxides, have been a focus of condensed matter physics for more than two decades since the discovery of high-temperature superconducting cuprates. Diverse competing phases emerge, spanning from exotic magnetism to unconventional superconductivity, in proximity to the localized-itinerant transition of Mott insulators. While studies were concentrated on bulk crystals, the recent rapid advance in synthesis has enabled fabrication of high-quality oxide heterostructures, offering a new route to create novel artificial quantum materials.

This dissertation details the investigation on ultrathin films and heterostructures of 3d⁷(t_2g⁶e_g¹) systems with …

Functional Magnetic Nanoparticles, James Gass

USF Tampa Graduate Theses and Dissertations

Nanoparticle system research and characterization is the focal point of this research and dissertation. In the research presented here, magnetite, cobalt, and ferrite nanoparticle systems have been explored in regard to their magnetocaloric effect (MCE) properties, as well as for use in polymer composites. Both areas of study have potential applications across a wide variety of interdisciplinary fields.

Magnetite nanoparticles have been successfully dispersed in a polymer. The surface chemistry of the magnetic nanoparticle proves critical to obtaining a homogenous and well separated high density dispersion in PMMA. Theoretical studies found in the literature have indicated that surface interface energy …

Section Abstracts: Astronomy, Mathematics And Physics With Materials Science

Virginia Journal of Science

Abstracts of the Astronomy, Mathematics, and Physics with Material Science Section for the 90th Annual Meeting of the Virginia Academy of Science, May 23-25, 2012, Norfolk State University, Norfolk, Virginia

Laser Processing Of Metals And Polymers, Senthilraja Singaravelu

Physics Theses & Dissertations

A laser offers a unique set of opportunities for precise delivery of high quality coherent energy. This energy can be tailored to alter the properties of material allowing a very flexible adjustment of the interaction that can lead to melting, vaporization, or just surface modification. Nowadays laser systems can be found in nearly all branches of research and industry for numerous applications. Sufficient evidence exists in the literature to suggest that further advancements in the field of laser material processing will rely significantly on the development of new process schemes. As a result they can be applied in various applications …

Controlling Nanoparticles Formation In Molten Metallic Bilayers By Pulsed-Laser Interference Heating, Mikhail Khenner, Sagar Yadavali, Ramki Kalyanaraman

Mathematics Faculty Publications

The impacts of the two-beam interference heating on the number of core-shell and embedded nanoparticles and on nanostructure coarsening are studied numerically based on the non-linear dynamical model for dewetting of the pulsed-laser irradiated, thin (< 20 nm) metallic bilayers. The model incorporates thermocapillary forces and disjoining pressures, and assumes dewetting from the optically transparent substrate atop of the reflective support layer, which results in the complicated dependence of light reflectivity and absorption on the thicknesses of the layers. Stabilizing thermocapillary effect is due to the local thickness-dependent, steady- state temperature profile in the liquid, which is derived based on the mean substrate temperature estimated from the elaborate thermal model of transient heating and melting/freezing. Linear stability analysis of the model equations set for Ag/Co bilayer predicts the dewetting length scales in the qualitative agreement with experiment.

Measurement Of Semiconductor Surface Potential Using The Scanning Electron Microscope, Jennifer T. Heath, Chun-Sheng Jiang, Mowafak M. Al-Jassim

Faculty Publications

We calibrate the secondary electron signal from a standard scanning electron microscope to voltage, yielding an image of the surface or near-surface potential. Data on both atomically abrupt heterojunction GaInP/GaAs and diffused homojunction Si solar cell devices clearly show the expected variation in potential with position and applied bias, giving depletion widths and locating metallurgical junctions to an accuracy better than 10 nm. In some images, distortion near the p-n junction is observed, seemingly consistent with the effects of lateral electric fields (patch fields). Reducing the tube bias removes this distortion. This approach results in rapid and straightforward collection of …

Applications Of Density Functional Theory In Materials Science And Engineering, Manuel Alvarado

Open Access Theses & Dissertations

Density Functional Theory (DFT) is a powerful tool that can be used to model various systems in materials science. Our research applies DFT to two problems of interest. First, an organic/inorganic complex dye system known as a Mayan pigment is modeled to determine chemical binding sites, verifying each model with physical data such as UV/Vis spectra. Preliminary studies on palygorskite-based mayan pigments (mayacrom blue, mayacrom purple) show excellent agreement with experimental studies when using a dimer dye geometry binding with tetrahedrally-coordinated aluminum impurity sites in palygorksite. This approach is applied to a sepiolite-based organic/inorganic dye system using thioindigo attached to …

High Pressure Synchrotron X-Ray Diffraction Studies Of Superprotonic Transitions In Phosphate Based Solid Acids, Juan Daniel Hermosillo

Open Access Theses & Dissertations

Certain phosphate based solid acids, such as CsH2PO4 and RbH2PO4, have been shown to exhibit an abrupt, several-order-of-magnitude increase in their proton conductivity when heated above a temperature threshold. This so called superprotonic behavior allows the above-mentioned materials to function as fuel cell electrolytes at temperatures between 150C and 300C, a remarkable application that attracted significant interest especially from the automobile industry. Yet, the microscopic structures and dynamic mechanisms responsible for this behavior are not fully understood. In fact, until very recently, the very nature of the superprotonic behavior has been debate, with some groups attributing the steep proton enhancement …

Multi-Wavelength Laser Sensor For Intruder Detection And Discrimination, Kavitha Venkataraayan, Sreten Askraba, Kamal E. Alameh, Clifton L. Smith

Research outputs 2011

An intruder detection and discrimination sensor with improved optical design is developed using lasers of different wavelengths to demonstrate the concept of discrimination over a distance of 6 m. A distinctive feature of optics is used to provide additional transverse laser beam scanning. The sample objects used to demonstrate the concept of discrimination over a distance of 6 m are leaf, bark, black fabric, PVC, wood and camouflage material. A camouflage material is chosen to illustrate the discrimination capability of the sensor. The sensor utilizes a five-wavelength laser combination module, which sequentially emits identically-polarized laser light beams along one optical …

Effects Of Transition Metal Doping On Multiferroic Ordering In Ni3v2o8 And Fevo4, Akila Deeghayu Kumarasiri

Wayne State University Dissertations

We have studied the effects of doping both non-magnetic and magnetic ions on the phase transitions and multiferroic ordering in two multiferroic oxides; Ni3V2O8 and FeVO4. Magnetic, dielectric, specific heat, polarization and AC susceptibility measurements were used to track changes in phase transition temperatures. We found that the two higher temperature magnetic transitions in Ni3V2O8; TH = 9.1 K and TL = 6.3 K are suppressed to lower temperatures with all transition metal dopants. For Zn doping, the rates of the suppression of both TH and TL with dopant fraction are consistent with simple site dilution for two-dimensional spin systems, …

Experimental And Theoretical Analysis Of Strain Engineered Aluminium Nitride On Silicon For High Quality Aluminium(X)Indium(Y)Gallium(1-X-Y)Nitride Epitaxy, Mihir Hemant Tungare

Legacy Theses & Dissertations (2009 - 2024)

III-Nitrides on Si are of great technological importance due to the availability of large area, epi ready Si substrates and the ability to heterointegrate with mature silicon micro and nanoelectronics. The major roadblock with realizing this is the large difference in thermal expansion coefficients and lattice constants between the two material systems. A novel technique developed in our research lab shows the potential of simultaneous and substantial reduction in dislocation and crack density in GaN on Si (111). Research undertaken in the current doctoral dissertation, validates the superior GaN quality on Si obtained using our technique and determines the factors …

Theory And Modeling Of Graphene And Single Molecule Devices, Lyudmyla Adamska

USF Tampa Graduate Theses and Dissertations

This dissertation research is focused on first principles studies of graphene and single organic molecules for nanoelectronics applications. These nanosized objects attracted considerable interest from the scientific community due to their promise to serve as building blocks of nanoelectronic devices with low power consumption, high stability, rich functionality, scalability, and unique potentials for device integration. Both graphene electronics and molecular electronics pursue the same goal by using two different approaches: top-down approach for graphene devices scaling to smaller and smaller dimensions, and bottom-up approach for single molecule devices. One of the goals of this PhD research is to apply first-principles …

Development Of Interatomic Potentials For Large Scale Molecular Dynamics Simulations Of Carbon Materials Under Extreme Conditions, Romain Perriot

USF Tampa Graduate Theses and Dissertations

The goal of this PhD research project is to devise a robust interatomic potential for large scale molecular dynamics simulations of carbon materials under extreme conditions. This screened-environment dependent reactive empirical bond order potential (SED-REBO) is specifically designed to describe carbon materials under extreme compressive or tensile stresses. Based on the original REBO potential by Brenner and co workers, SED-REBO includes reparametrized pairwise interaction terms and a new screening term, which serves the role of a variable cutoff. The SED-REBO potential overcomes the deficiencies found with the most commonly used interatomic potentials for carbon: the appearance of artificial forces due …

Electric-Field-Induced Interfacial Instabilities Of A Soft Elastic Membrane Confined Between Viscous Layers, Mohar Dey, Dipankar Bandyopadhyay, Ashutosh Sharma, Shizhi Qian, Sang Woo Joo

Mechanical & Aerospace Engineering Faculty Publications

We explore the electric-field-induced interfacial instabilities of a trilayer composed of a thin elastic film confined between two viscous layers. A linear stability analysis (LSA) is performed to uncover the growth rate and length scale of the different unstable modes. Application of a normal external electric field on such a configuration can deform the two coupled elastic-viscous interfaces either by an in-phase bending or an antiphase squeezing mode. The bending mode has a long-wave nature, and is present even at a vanishingly small destabilizing field. In contrast, the squeezing mode has finite wave-number characteristics and originates only beyond a threshold …

A Study Of Wo3 And W0.95ti0.05o3 Thin Films Using Comparative Spectroscopy, James Heyward Howard

Open Access Theses & Dissertations

Tungsten oxide (WO3) is important and well-studied in materials science, particularly for sensor applications. In this research work, we consider the innovation of adding Ti to thin films of this material. Since the characteristics of any such material are strongly dependent on the conditions and methods used in its deposition, the main objective of this project is to provide a detailed spectroscopic characterization by Raman scattering, infrared absorption, and X-ray photoelectron spectroscopy (XPS) of WO3 and of W0.95Ti0.05O3. This characterization will be based on comparison of the morphology and composition of WO3-based thin films, grown by radio frequency magnetron reactive …

Growth And Characterization Of Functional Nanoparticulate Films By A Microwave Plasma-Assisted Spray Deposition Process, Ted Wangensteen

USF Tampa Graduate Theses and Dissertations

Nanoparticle and nanoparticulate films have been grown by a unique approach combining a microwave and nebulized droplets where the concentration and thus the resulting particle size can be controlled. The goal of such a scalable approach was to achieve it with the least number of steps, and without using expensive high purity chemicals or the precautions necessary to work with such chemicals. This approach was developed as a result of first using a laser unsuccessfully to achieve the desired films and particles. Some problems with the laser approach for growing desired films were solved by substituting the higher energy microwave …

Effect Of Impurities On The Superheating Field Of Type-Ii Superconductors, F. Pei-Jen Lin, A. Gurevich

Physics Faculty Publications

We consider the effect of nonmagnetic and magnetic impurities on the superheating field H_s in a type-II superconductor. We solved the Eilenberger equations, which take into account the nonlinear pairbreaking of Meissner screening currents, and calculated H_s(T) for arbitrary temperatures and impurity concentrations in a single-band s-wave superconductor with a large Ginzburg-Landau parameter. At low temperatures, nonmagnetic impurities suppress a weak maximum in H_s(T), which has been predicted for the clean limit, resulting, instead, in a maximum of H_s as a function of impurity concentration in a moderately clean limit. It is shown that …

Growth Analysis Of (Ag,Cu)Inse2 Thin Films Via Real Time Spectroscopic Ellipsometry, S. A. Little, V. Ranjan, R. W. Collins, S. Marsillac

Electrical & Computer Engineering Faculty Publications

In situ and ex situ characterization methods have been applied to investigate the properties of (Ag,Cu)InSe₂ (ACIS) thin films. Data acquired from real time spectroscopic ellipsometry (RTSE) experiments were analyzed to extract the evolution of the nucleating, bulk, and surface roughness layer thicknesses. The evolution of these layer thicknesses suggests a transition from Volmer-Weber to Stranski-Krastanov type behavior when Cu is replaced by Ag. The complex dielectric functions of ACIS at both deposition and room temperature as a function of film composition were also extracted from the RTSE data, enabling parameterization of the alloy optical properties.

Ferroelectric Control Of Magnetocrystalline Anisotropy At Cobalt/Poly(Vinylidene Fluoride) Interfaces, Pavel Lukashev, Tula R. Paudel, Juan M. López-Encarnación, Shireen Adenwalla, Evgeny Y. Tsymbal, Julian P. Velev

Shireen Adenwalla Papers

Electric field control of magnetization is one of the promising avenues for achieving high-density energy-efficient magnetic data storage. Ferroelectric materials can be especially useful for that purpose as a source of very large switchable electric fields when interfaced with a ferromagnet. Organic ferroelectrics, such as poly(vinylidene fluoride) (PVDF), have an additional advantage of being weakly bonded to the ferromagnet, thus minimizing undesirable effects such as interface chemical modification and/or strain coupling. In this work we use first-principles density functional calculations of Co/PVDF heterostructures to demonstrate the effect of ferroelectric polarization of PVDF on the interface magnetocrystalline anisotropy that controls the …

Raman And Infrared Study Of Electrospun Plla/Pcl Nanofiber Blends For Use In Tissue Engineering, Jose Luis Enriquez Carrejo

Open Access Theses & Dissertations

Recently, the biomedical engineering field has developed at a very fast pace as improved techniques and materials become available to promote its growth. Consequently, the research in polymeric biomaterials has been highly stimulated by this trend. The goal of the current research is to demonstrate the usefulness of the Raman scattering, Raman mapping, and infrared absorption spectroscopies to tissue engineering, by spectroscopically characterizing blends of PLLA and PCL polymers, which were prepared by electrospinning with and without cell addition. The proposed use of these blends is as primary biomaterials in biodegradable scaffolds used in tissue engineering. Both Raman and infrared …

Fundamental Properties Of Functional Zinc Oxide Nanowires Obtained By Electrochemical Method And Their Device Applications, Athavan Nadarajah

Dissertations and Theses

We report on the fundamental properties and device applications of semiconductor nanoparticles. ZnO nanowires and CdSe quantum dots were used, prepared, characterized, and assembled into novel light-emitting diodes and solar cells. ZnO nanowire films were grown electrochemically using aqueous soluble chloride-based electrolytes as precursors at temperatures below 90° C. Dopants were added to the electrolyte in the form of chloride compounds, which are AlCl₃, CoCl₂, CuCl₂, and MnCl₂. The optical, magnetic, and structural properties of undoped and transition-metal-ion doped ZnO nanowires were explored. Our results indicate that the as-grown nanowire structures have …

Formation Of Organized Nanostructures From Unstable Bilayers Of Thin Metallic Liquids, Mikhail Khenner, Sagar Yadavali, Ramki Kalyanaraman

Mathematics Faculty Publications

Dewetting of pulsed-laser irradiated, thin (< 20 nm), optically reflective metallic bilayers on an optically transparent substrate with a reflective support layer is studied within the lubrication equations model. A steady-state bilayer film thickness (h) dependent temperature profile is derived based on the mean substrate temperature estimated from the elaborate thermal model of transient heating and melting/freezing. Large thermocapillary forces are observed along the plane of the liquid-liquid and liquid-gas interfaces due to this h-dependent temperature, which, in turn, is strongly influenced by the h-dependent laser light reflection and absorption. Consequently the dewetting is a result of the competition between thermocapillary and intermolecular forces. A linear analysis of the dewetting length scales established that the non-isothermal calculations better predict the experimental results as compared to the isothermal case within the bounding Hamaker coefficients. Subsequently, a computational non-linear dynamics study of the dewetting pathway was performed for Ag/Co and Co/Ag bilayer systems to predict the morphology evolution. We found that the systems evolve towards formation of different morphologies, including core-shell, embedded, or stacked nanostructure morphologies.