Materials Science and Engineering Commons^™

Assessing Time-Dependent Density Functional Theory As A Computational Tool To Model Chromophores Intercalated Into Dna Scaffolds, Eric Nelson

McNair Scholars Research Journal

Understanding first-principles energy transport in organic molecules reveals novel energy harvesting systems, quantum computing, and solar power energy transportation and production. DiSC₂(5), also named Cy5, exhibits bright fluorescence signals and has shown promising lossless exciton transport properties, as well as tunable energy absorption and emission when conjoined with DNA. This paper focuses on functional groups of organic molecules, specifically the chromophoric red dye DiSC₂(5) and its interaction with H- and J-aggregates and with DNA. Density functional theory (DFT) and time dependent density functional theory (TD-DFT) are applied to investigate the chromophore Cy5 in vertically stacked (H-aggregates) …

Development Of An Effective Portable And Flexible Glove For Hand Tremor Suppression, Abdulrahem Turkistani

Masters Theses

This paper presents the work carried out in designing and developing a prototype for a tremor suppression system that reduces hand tremor by counteracting vibrations initiated from a patient’s shaking hand. This system includes a glove with a built-in vibration simulation module that oscillates and mimics the hand vibration. The oscillation is generated by a DC motor mounted on the top of the glove, and can vary in degree of vibration. The glove is also equipped with an accelerometer-gyroscope based micro-electromechanical system (MEMS) and vibrating coin motors mounted on each finger, both interfaced with a microcontroller. The microcontroller used in …

A Plastic Design Method For Rc Moment Frame Buildings Against Progressive Collapse, Hadi Faghihmaleki

Makara Journal of Technology

In this study, progressive collapse potential of generic 3-, 8- and 12-storey RC moment frame buildings designed based on IBC-2006 code was investigated by performing non-linear static and dynamic analyses. It was observed that the model structures had high potential for progressive collapse when the second floor column was suddenly removed. Then, the size of beams required to satisfy the failure criteria for progressive collapse was obtained by using the virtual work method; i.e., using the equilibrium of the external work done by gravity load due to loss of a column and the internal work done by plastic rotation of …

In Vitro Toxicity Evaluation Of Caffeine Imprinted Polymer (Caf-Mip) For Decaffeination Method On Normal Chang Liver Cells, Fatimah Hashim, Faizatul Shimal Mehamod, Naizatul Akmal Nawi

Makara Journal of Technology

Over consuming of caffeine is one of the factors to a few health problems such as insomnia, hypertension and cardiovascular disease. This preliminary study was conducted to evaluate the Caffeine-Imprinted Polymer (CAF-MIP) toxicity that was synthesized for a new alternative method for decaffeination. It is crucial to evaluate the toxicity of CAF-MIPas this product is potential to be used as complimentary with any drinks containing caffeine. In this study, the CAF-MIP toxicity potential was confirmed on Normal Chang Liver cell (NCLC) based on its IC50 value andacridine orange and propidium iodide (AO/PI) staining for mode of cell death observation.Proliferation assay …

Using Polymerization, Glass Structure, And Quasicrystalline Theory To Produce High Level Radioactive Borosilicate Glass Remotely: A 20+ Year Legacy, Carol M. Jantzen

Journal of the South Carolina Academy of Science

Vitrification is currently the most widely used technology for the treatment of high level radioactive wastes (HLW) throughout the world. Most of the nations that have generated HLW are immobilizing in borosilicate glass. One of the primary reasons that glass has become the most widely used immobilization media is the relative simplicity of the vitrification process, e.g. melt a highly variable waste with some glass forming additives such as SiO₂ and B₂O₃ in the form of a premelted frit and pour the molten mixture into a stainless steel canister. Seal the canister before moisture can enter …

Technical Feasibility Of Selectively Separating Rare Earth Elements By Vapor Phase Extraction And Condensation, Katie Lyons

Graduate Theses & Non-Theses

Experiments were performed to evaluate the technical feasibility of selectively separating selected rare earth halides (bromides and chlorides) using a volatilization and condensation technique. Initially, optimum chloridizing and bromidizing roast parameters were secured in studies performed on reagent grade rare earth oxide samples and subsequently confirmed in tests performed on mineral ore and concentrate samples. The volatilization and condensation experiments were performed by placing the subject rare earth halide samples in an argon-purged multiple-zone tube furnace wherein the temperature profile was controlled to establish separate vaporization and condensation regions. Following each experiment, condensate and solid residue samples were analyzed to …

Nano-Channels Early Formation Investigation On Stainless Steel 316ti After Immersion In Molten Pb-Bi, Abu Khalid Rivai, Mardiyanto Mardiyanto, Annette Heinzel

Makara Journal of Technology

Development of fuel cladding and structural materials in Pb-Bi environment, especially at high temperature, is a critical issue for the deployment of LFR (Lead alloy-cooled Fast Reactor) and ADS (Accelerator Driven Transmutation System). This is because of the corrosive characteristic of Pb-Bi to metals as constituent materials of fuel cladding and structural of the reactors. Corrosion test of a high-chromium austenitic stainless steel i.e. SS316Ti in molten Pb-Bi at 550 ºC has been carried out for about 300 hours continuously. The characterization using SEM-EDS (Scanning Electron Microscopy - Energy Dispersive X-ray Spectroscopy) showed that an iron oxide as the outer …

Sorption And Ion Exchange Behaviour Of Natural Zeolite Packing, Chandra Wahyu Purnomo, Bernice Lenora, Wiratni Budhijanto, Hirofumi Hinode

Makara Journal of Technology

It is well known that zeolite is an efficient metal ions adsorbent. The excess charge of the zeolite building blocks i.e. (AlO4)-5 and (SiO4)-4 creating a negative surface charge that attract metal cations. Beside the surface charge, zeolite also has three dimensional pore structure and reasonably large surface area which also can be used as adsorption sites. Ease of cation uptake make it suitable for many process with adsorption and desorption application. This study was conducted to observe the sorption and ion exchange behaviour of zeolite-betonite rings toward iron and cobalt cations. The results shows that the adsorption patterns follow …

Influence Of Polyethylene Glycol (Peg) In Cmc-Nh4br Based Polymer Electrolytes: Conductivity And Electrical Study, Nur Khalidah Zainuddin, Ahmad Salihin Samsudin

Makara Journal of Technology

The present work was carried with new type and promising polymer electrolytes system by development of carboxyl methylcellulose (CMC) doped NH4Br and plasticized with polyethylene glycol (PEG). The sample was successfully prepared via solution casting with no separation phase and good mechanical properties. The electrical conductivity and thermal conductivity of CMC-NH4Br-PEG based PEs system have been measured by the electrical impedance spectroscopy method in the temperature range of 303–373 K. The highest ionic conductivity gained is 2.48 x 10-3 Scm-1 at ambient temperature for sample contain with 8 wt. % PEG. It can be concluded that the plasticized is accountable …

Purification Simulation With Vapor Permeation And Distillation-Adsorption In Bioethanol Plant, Misri Gozan, Mia Sari Setiawan, Kenny Lischer

Makara Journal of Technology

High purity of Bioethanol is required in biofuel mixing with gasoline (EXX). In bioethanol production line, the azeotropic property of ethanol-water becomes the barrier for purification process. This study examined two bioethanol separation processes by support of simulation tools, Superpro Designer 9.0 software. Ethanol purity and a low costeconomical process were the major considerations. Purification method of vapor permeation membrane technology was compared with distillation-adsorption method. Data from previous lab experiments and some literatures were used. The results showed that distillation-adsorption method is more economical compared to vapor permeation technology. Payback period of the simulation is 3.9 years and 4.3 …

Gradient-Enriched Finite Element Methodology For Axisymmetric Problems, C. Bagni, H. Askes, E. C. Aifantis

Michigan Tech Publications, Part 1

Due to the axisymmetric nature of many engineering problems, bi-dimensional axisymmetric finite elements play an important role in the numerical analysis of structures, as well as advanced technology micro/nano-components and devices (nano-tubes, nano-wires, micro-/nano-pillars, micro-electrodes). In this paper, a straightforward C0-continuous gradient-enriched finite element methodology is proposed for the solution of axisymmetric geometries, including both axisymmetric and non-axisymmetric loads. Considerations about the best integration rules and an exhaustive convergence study are also provided along with guidances on optimal element size. Moreover, by applying the present methodology to cylindrical bars characterised by a circumferential sharp crack, the ability of the present …

Behavior And Strength Of Rc Spandrel Members Under Unsymmetrical Bending And Torsion Including Cfrp Retrofitting, Muhammad Fahim

Civil & Environmental Engineering Theses & Dissertations

This dissertation presents the outcome of an experimental and theoretical investigation of the behavior and strength of reinforced concrete spandrel members both with and without carbon fiber reinforced polymer (CFRP) retrofitting. Both isolated spandrel members with L-shaped cross section as well as those integrated with reinforced concrete slabs are studied. A series of isolated spandrel members were tested under separate and combined actions of unsymmetrical bending and torsion. Six of these specimens were retrofitted externally with high-strength CFRP strips. Materially nonlinear analysis procedures are also formulated and programmed for the spandrel members with and without CFRP retrofitting. Furthermore, ultimate bending-torsion …

The Effectiveness Of Sanitary Inspections As A Risk Assessment Tool For Thermotolerant Coliform Bacteria Contamination Of Rural Drinking Water: A Review Of Data From West Bengal, India, Christian Snoad, Corey L. Nagel, Animesh Bhattacharya, Evan A. Thomas

Mechanical and Materials Engineering Faculty Publications and Presentations

The use of sanitary inspections combined with periodic water quality testing has been recommended in some cases as screening tools for fecal contamination. We conducted sanitary inspections and tested for thermotolerant coliforms (TTCs), a fecal indicator bacteria, among 7,317 unique water sources in West Bengal, India. Our results indicate that the sanitary inspection score has poor ability to identify TTC-contaminated sources. Among deep and shallow hand pumps, the area under curve (AUC) for prediction of TTC > 0 was 0.58 (95% confidence interval [CI] = 0.53–0.61) and 0.58 (95% CI = 0.54–0.62), respectively, indicating that the sanitary inspection score was only …

Development And Training Of A Neural Controller For Hind Leg Walking In A Dog Robot, Alexander J. Hunt, Nicholas Szczecinski, Roger Quinn

Mechanical and Materials Engineering Faculty Publications and Presentations

Animals dynamically adapt to varying terrain and small perturbations with remarkable ease. These adaptations arise from complex interactions between the environment and biomechanical and neural components of the animal’s body and nervous system. Research into mammalian locomotion has resulted in several neural and neuro-mechanical models, some of which have been tested in simulation, but few “synthetic nervous systems” have been implemented in physical hardware models of animal systems. One reason is that the implementation into a physical system is not straightforward. For example, it is difficult to make robotic actuators and sensors that model those in the animal. Therefore, even …

Chemically Stable Artificial Sei For Li-Ion Battery Electrodes, Qinglin Zhang, Lei Han, Jie Pan, Zhi Chen, Yang-Tse Cheng

Chemical and Materials Engineering Faculty Publications

The importance of coating's chemical stability in lithium-ion batteries has been demonstrated by this study. It is well known that the mechanical properties determine the cycle life, and chemical stability or chemical degradation rate determines the calendar life. In this study, we used HfO₂ coatings prepared by atomic layer deposition as an example to show the chemical stability of the coatings for lithium ion battery electrodes.

Making Light-Weight Mg-Metal Laminated Nanocomposites, Soodabeh Azadehranjbar, Xinyan Xie, Jeffrey E. Shield, Jian Wang

Department of Mechanical and Materials Engineering: Dissertations, Theses, and Student Research

Magnesium is the lightest of all the engineering metals. Replacing steel structural materials with Mg-based materials in automotive applications would boost fuel. However, conventional Mg alloys typically suffer from low strength and poor deformability due to very few slip systems and easy twinning. Alloying Mg with other materials and microstructural engineering are promising approaches to increase ductility and strength of Mg. According to Wang et al., interfaces with low energy and high coherency may effectively constrict the nucleation of twins in Mg. In this work, Mg-metal multilayered nanocomposites will be produced by melt spinning procedure and the layers’ mechanical properties …

Creep Of Hi-Nicalon™ S Ceramic Fiber Tows At 900°C In Air And In Silicic Acid-Saturated Steam, Ronald K. Mitchell

Theses and Dissertations

Advanced SiC/SiC ceramic matrix composites (CMCs) are being considered for demanding aerospace applications such as aircraft engine hot-section components. In these applications the composites will be subjected to cyclic and sustained loadings at elevated temperature in aggressive combustion environments. Current aircraft engines employ Nickel-based superalloys in applications such turbine blades, where the metallic alloys must perform at or near their operating temperature limits in highly corrosive environments. The SiC/SiC composites, which offer low density, high strength and fracture toughness at elevated temperatures could potentially replace Nickel-based superalloy in aircraft engine applications. However, before the SiC/SiC composites can be safely used …

Transient Nonlinear Optical Properties Of Thin Film Titanium Nitride, Sarahkatie Thomas

Theses and Dissertations

nitride (TiN) and scandium nitride (ScN), using the beam deflection characterization technique. The thin films were made at the Air Force Research Lab by controllably unbalanced magnetron sputtering. Transition metal nitrides, specifically TiN, are used widely in industry because of their unique properties, including extreme hardness and high damage threshold. The properties of thin film transition metal nitrites are dependent on the chemical structure of the thin film, which can be heavily influenced by substrate and deposition method. This durability and tunability is an asset in applications such as sensor protection and all optical computing. Two substrates, sapphire (Al_{2 …}

A Study Of Corrosion Monitoring Techniques Used In Urls For Metals, Sirui Li

USF Tampa Graduate Theses and Dissertations

With the increasing use of fission-type nuclear power generation, particularly high-levels radioactive nuclear waste are generated, so the safe use of nuclear energy requires proper disposal of high-level radioactive nuclear waste. The selected treatment method is deep geological disposal. Therefore, underground research laboratory (URL) to prepare for deep geological disposal will also be carried out. Corrosion of metallic materials, which are closely related to the safety of URL, is the focus of this research project. This study selected monitoring techniques for URL and developed a rough monitoring scheme for temperature and resistivity in URL. In this study, corrosion-temperature and corrosion-resistivity …

Building Energy Model Calibration For Retrofit Decision Making, Nicolas R. Johnson

Dissertations and Theses

Accommodating the continued increase in energy demand in the face of global climate change has been a worldwide concern. With buildings in the US consuming nearly 40% of national energy, a concerted effort must be given to reduce building energy consumption. As new buildings continue to improve their efficiency through more restrictive energy codes, the other 76.9 billion square feet of current building stock falls further behind. The rate at which current buildings are being retrofit is not enough and better tools are needed to access the benefits of retrofits and the uncertainties associated with them. This study proposes a …

Analysis Of Additively Manufactured Lattice Structures Using Finite Element Methods, Christopher A. Box

Theses and Dissertations

Additive Manufacturing (AM) processes are well known for their ability to fabricate parts with complex geometries. Lattice structures leverage this ability to create parts with high strength-to-weight ratio and other desirable structural qualities. This research presents a parameterized modeling tool using common Finite Element Analysis (FEA) and scripting software with which aggregated lattice structures can be analyzed, given different geometric properties and loading conditions. A full factorial Design of Experiments is run to explore the effects of various parameters on the strength of lattice structures. Experimental compressive strength results from three FDM-produced PLA lattices are discussed and compared to predictions …

A Study Of Iron-Nitrogen-Carbon Fuel Cell Catalysts: Chemistry – Nanostructure – Performance, Michael J. Workman

Nanoscience and Microsystems ETDs

Fuel cells have the potential to be a pollution-free, low-cost, and energy efficient alternative to the internal combustion engine for transportation and small-scale stationary power applications. The current state of fuel cell technology has already achieved two of these three lofty goals. The remaining barrier to wide-scale deployment is the high cost, which is primarily caused by dependence on large amounts of platinum to catalyze the energy conversion reactions. To overcome this barrier and facilitate the integration of fuel cells into mainstream applications, research into a new class of catalyst materials that do not require platinum is needed.

There has …

Effects Of Microstructure And Alloy Concentration On The Corrosion And Tribocorrosion Resistance Of Al-Mn And We43 Mg Alloys, Hesham Y. Saleh Mraied

USF Tampa Graduate Theses and Dissertations

The design of new engineering materials resistant to both wear damage and corrosion degradation becomes increasingly demanding in complex service conditions. Unfortunately, there is typically a tradeoff between wear and corrosion resistance, even for important passive metals such as Al alloys. This is because the presence of precipitates hardens the material but at the same time lead to unfavorable galvanic coupling between the precipitates and the matrix, resulting in accelerated corrosion. This work showed that Al (or Mg) supersaturated solid solution formed using non-equilibrium methods exhibited enhanced corrosion resistance without compromising strength. For Al, alloying with Mn up to ~ …

Emerging Business Models For Open Source Hardware, Joshua M. Pearce

Department of Materials Science and Engineering Publications

The rise of Free and Open Source models for software development has catalyzed the growth of Free and Open Source hardware (also known as “Libre Hardware”). Libre Hardware is gaining significant traction in the scientific hardware community, where there is evidence that open development creates both technically superior and far less expensive scientific equipment than proprietary models. In this article, the evidence is reviewed and a collection of examples of business models is developed to service scientists who have the option to manufacture their own equipment using Open Source designs. Profitable Libre Hardware business models are reviewed, which includes kit, …

Liquid-Gas Surface Tension Voltage Dependence During Electrowetting On Dielectric Of 5-90 Nm Gold Nanofluids, Saeid Vafaei, Karthik Chinnathambi, Theodorian Borca-Tasciuc

Materials Science and Engineering Faculty Publications and Presentations

This article investigates the effective liquid-gas surface tension changes of water and 5-90nm gold nanofluids measured during electrowetting on dielectric experiments. The Young-Laplace equation for sessile droplets in air was solved to fit the experimental droplet shape and determine the effective liquid-gas surface tension at each applied voltage. A good agreement between experimental droplet shapes and the predictions was observed for all the liquids investigated in applied range of 0-30V. The measured liquid-gas effective surface tensions of water and gold nanofluid decreased with voltage. At a given voltage, the effective liquid-gas surface tension of gold nanofluids initially decreased as the …

Engineered Nanocomposite Materials For Microwave/Millimeter-Wave Applications Of Fused Deposition Modeling, Juan De Dios Castro

USF Tampa Graduate Theses and Dissertations

A variety of high-permittivity (high-k) and low-loss ceramic-thermoplastic composite materials as fused deposition modeling (FDM) feedstock, based on cyclo-olefin polymer (COP) embedded with sintered ceramic fillers, have been developed and investigated for direct digital manufacturing (DDM) of microwave components. The composites presented in this dissertation use a high-temperature sintering process up to 1500°C to further enhance the dielectric properties of the ceramic fillers. The electromagnetic (EM) properties of these newly developed FDM composites were characterized up to the Ku-band by using the cavity perturbation technique. Several models for prediction of the effective relative dielectric permittivity of composites based …

Synthesis And Catalytic Applications Of Non-Metal Doped Mesoporous Titania, Syed Z. Islam, Suraj R. Nagpure, Doo Young Kim, Stephen E. Rankin

Chemical and Materials Engineering Faculty Publications

Mesoporous titania (mp-TiO₂) has drawn tremendous attention for a diverse set of applications due to its high surface area, interfacial structure, and tunable combination of pore size, pore orientation, wall thickness, and pore connectivity. Its pore structure facilitates rapid diffusion of reactants and charge carriers to the photocatalytically active interface of TiO₂. However, because the large band gap of TiO₂ limits its ability to utilize visible light, non-metal doping has been extensively studied to tune the energy levels of TiO₂. While first-principles calculations support the efficacy of this approach, it is challenging to …

Intracellular Nanoparticle Dynamics Affected By Cytoskeletal Integrity, Martha E. Grady, Emmabeth Parrish, Matthew A. Caporizzo, Sarah C. Seeger, Russell J. Composto, David M. Eckmann

Mechanical Engineering Faculty Publications

The cell interior is a crowded chemical space, which limits the diffusion of molecules and organelles within the cytoplasm, affecting the rates of chemical reactions. We provide insight into the relationship between non-specific intracellular diffusion and cytoskeletal integrity. Quantum dots entered the cell through microinjection and their spatial coordinates were captured by tracking their fluorescence signature as they diffused within the cell cytoplasm. Particle tracking revealed significant enhancement in the mobility of biocompatible quantum dots within fibrosarcoma cells versus their healthy counterparts, fibroblasts, as well as in actin destabilized fibroblasts versus untreated fibroblasts. Analyzing the displacement distributions provided insight into …

Tailoring Magnetic Behavior Of Cofemnnix (X = Al, Cr, Ga, And Sn) High Entropy Alloys By Metal Doping, Tingting Zuo, Michael C. Gao, Lizhi Ouyang, Xiao Yang, Yongqiang Cheng, Rui Feng, Shuying Chen, Peter K. Liaw, Jeffrey A. Hawk, Yong Zhang

Mathematical Sciences Faculty Research

Magnetic materials with excellent performances are desired for functional applications. Based on the high-entropy effect, a system of CoFeMnNiX (X = Al, Cr, Ga, and Sn) magnetic alloys are designed and investigated. The dramatic change in phase structures from face-centered-cubic (FCC) to ordered body-centered-cubic (BCC) phases, caused by adding Al, Ga, and Sn in CoFeMnNiX alloys, originates from the potent short-range chemical order in the liquid state predicted by ab initio molecular dynamics (AIMD) simulations. This phase transition leads to the significant enhancement of the saturation magnetization (Ms), e.g., the CoFeMnNiAl alloy has Ms of 147.86 Am2/kg. First-principles density functional …

Negahban Group Report: Saw-Tooth Shear Response Of Aged Poly(Methyl Methacrylate) (Pmma), Mehrdad Negahban

Department of Mechanical and Materials Engineering: Faculty Publications

Results for isothermal saw-tooth shear loading experiments conducted on annealed and oven-cooled poly(methyl methacrylate) (PMMA) at temperatures between 50^oC and 140^oC. The experiments were conducted 1996.