Materials Science and Engineering Commons^™

Modeling The Peak Absorption Of Meh-Ppv In Various Solvents Using Density Functional Theory, Corell H. Moore

Theses and Dissertations

Density Functional Theory (DFT) and time-dependent Density Functional Theory (TD-DFT) are powerful tools for modeling orbital energy in conjugated molecules and have been useful tools for research in organic photovoltaics. In this work, DFT is first used to explain the red shift in the absorption spectrum and increased absorption observed in MEH-PPV. Initially, the modeling of the red-shift in the absorption peak of MEH-PPV is studied using Gaussian 03 software with the global hybrid functional B3LYP for exchange-correlation and the 6-31G basis set. DFT and TD-DFT are used to separately study the effects of polymer chain length, carbon-carbon double-bond stretching, …

Metallic Systems At The Nano And Micro Scale: Bimetallic Nanoparticles As Catalysts And Mcraly Bond Coats In Thermal Barrier Coatings, Kenneth Kane

Theses and Dissertations

The dissertation is split into two parts. The first part will be focused on changes in material properties found at the nanoscale, as miscibility and electronic structure can change significantly with size. The formation of classically-immiscible bimetallic nanoparticles (BNPs) becomes favorable at the nanoscale and novel catalytic properties can emerge from the bimetallic alloying. The formation of alloyed and non-alloyed BNPs is achieved through pulse laser ablation (PLA) and a significant increase in catalytic activity is observed for both. Recently discovered, the increased activity in the non-alloyed BNPs, deemed multicomponent photocatalysis, is examined and the proposed mechanism discussed. The second …

Compositional Analysis Of Cerium And Cesium In Rapid Setting Cement As An Immobilization Agent For Nuclear Waste, Riyadh M. Motny

Theses and Dissertations

A feasibility of rapid setting cement (RSC) as an agent of immobilization for certain elements such as fission products or radioactive materials was explored. Cerium (Ce) and cesium (Cs) have been selected as a surrogate for U and/or Pu and fission products, respectively, in this study in three phases. In Phase I, RSC was evaluated for physical properties (e.g., porosity, density, pH values, etc.) using two groups methods—the cement powder at different concentrations of Ce (2 – 10 wt%) with deionized water (DIW) and artificial seawater (ASW). The results showed that the final setting time and compressive strength of RSC …

Au@Tio2 Nanocomposites Synthesized By X-Ray Radiolysis As Potential Radiosensitizers, Maria C. Molina Higgins

Theses and Dissertations

Radiosensitization is a novel targeted therapy strategy where chemical compounds are being explored to enhance the sensitivity of the tissue to the effects of ionizing radiation. Among the different radiosensitizers alternatives, nanomaterials have shown promising results by enhancing tumor injury through the production of free radicals and reactive oxygen species (ROS). In this work, Gold-supported titania (Au@TiO₂) nanocomposites were synthesized through an innovative strategy using X-ray irradiation, and their potential as radiosensitizers was investigated. Radiosensitization of Au@TiO₂ nanocomposites was assessed by monitoring the decomposition of Methylene Blue (MB) under X-ray irradiation in the presence of the nanomaterial. …

Epitaxial Growth Of Semiconductors And Chiral Metal Surfaces Using Spin Coating And Electrodeposition, Meagan V. Kelso

Doctoral Dissertations

"The current primary methods for epitaxial growth are energy intensive, requiring high temperature or high vacuum to obtain quality thin films. This dissertation explores the solution process methods of electrodeposition and spin coating for growth of epitaxial thin films. First, a method is developed to directly electrodeposit epitaxial CH₃NH₃PbI₃ perovskite for solar cells on single crystal Au by electrochemically reducing I₂ in organic solution. Perovskite is a newly explored material for solar cells, and its efficiency may be further improved by increasing the crystalline order. Second, a study on epitaxially electrodeposited chiral metal surfaces …

The Effects Of Fatigue And Weathering On The Failure Behavior Of Commercial Soda-Lime-Silicate Glass, Erica Ann Ronchetto

Doctoral Dissertations

"The principle objective of this research is to advance our understanding of the effects of humid conditions on the strength and susceptibility to fatigue of soda-lime silicate (SLS) glass. The two-point bend method was used to evaluate the fatigue characteristics and the degradation of failure strain of fibers drawn from melts of commercial soda-lime silicate glass and exposed to various environmental conditions. Soda lime silicate glasses from two commercial products but with similar nominal compositions were examined. One glass had pristine failure strains about 10% greater than the other, but both had similar fatigue parameters. The fatigue parameter increased from …

Build Strategy Investigation Of Ti-6al-4v Produced Via A Hybrid Additive Manufacturing Process, Lei Yan

Doctoral Dissertations

“Till now, laser metal deposition (LMD) has been developed with the capability of near-net shape high-performance metal parts fabrication, especially complicated titanium alloys, nickel alloys, and aluminum alloys. However, LMD processed parts usually do not meet end-use requirements without post treatments. In-process part quality inspection and inner features machining are impossible within a single LMD process. Hybrid additive manufacturing (HAM), which integrates additive and subtractive manufacturing in one process, has been proposed to increase the feasibility of complex parts fabrication. This dissertation aims to improve the applications of Ti-6Al-4V parts fabricated via a HAM technique. The first research topic is …

Removal Of Antimony And Bismuth From Copper Electrorefining Electrolyte By Two Proprietary Solvent Extraction Extractants, Andrew Artzer

Masters Theses

"Antimony and bismuth are two of the most problematic impurities in copper electrorefining (ER). Because of this, much research has been done investigating the ways to remove them. Processes that are currently being used industrially include anode additions, liberators, ion exchange (IX), and solvent extraction (SX). Of these, liberators and anode additions are the most common while SX is the least, mostly being used for arsenic removal. There are other methods that have been evaluated, but are not in commercial use. These include the use of various electrolyte additives, and adsorbents such as bentonite clay and heavy metal sulfates.

Two …

Characterization Of The Surface Condition In Aa6061 Resulting From Deep Rolling As A Function Of Common Industrial Parameters, Andrew Kenneth Layer

Masters Theses

"Roller burnishing is widely used in industry to improve the surface finish and fatigue life of components. As weight reduction continues to grow in the automotive and transportation industries, deep rolling can help maintain product performance by mitigating the increase in component stresses resulting from lower weight systems. Deep rolling parameters such as tool, applied angle, feed rate, spindle speeds, and relative tool direction all affect cycle time, product performance, and appearance. The effects of common industrial parameters on the resultant surface roughness and residual stress profiles were studied in this investigation. The samples were manufactured on a CNC lathe …

The Effect Of Cell Size And Surface Roughness On The Compressive Properties Of Abs Lattice Structures Fabricated By Fused Deposition Modeling, Leah Hope Mason

Masters Theses

"Postprocessing is an important step in many manufacturing methods, but it is especially important for additive manufacturing. Researchers looking to improve the surface roughness of acrylonitrile butadiene styrene (ABS) parts fabricated by fused deposition modeling (FDM) have determined that acetone smoothing not only achieves improved surface roughness but increases compressive strength as well. This could be very beneficial to lattice structures, which are known for already having an excellent strength to weight ratio. If the compressive strength of ABS lattice structures could be improved even further using acetone smoothing, it could expand the applications for plastic lattice structures and improve …

Development Of Castrip Dual Phase Steel, Brenton Allen Hrebec

Masters Theses

“Thermomechanical processing necessary to produce DP 980 steel using CASTRIP hot band was investigated. The resultant steel has an ultimate tensile strength of 1038 MPa, yield strength of 744 MPa, and total elongation of 8.6%. These mechanical properties were achieved by batch annealing the hot band at 649°C for 48 hours and cold rolling to a 20% reduction. The steel was continuously annealed to simulate a galvanization cycle with an intercritical temperature of 810°C. The possibility of improving the texture of the steel by warm rolling under dynamic strain aging conditions was investigated. Dynamic strain aging in the CASTRIP hot …

Performance Of One-Part And Two-Part Class C Fly Ash-Based Alkali Activated Mortars, Cedric Chani Kashosi

Masters Theses

“Seeking an eco-friendly concrete, researchers have conducted studies to fully replace ordinary Portland cement (OPC) with fly ash (FA) producing alkali-activated concrete (AAC). Results showed better performance of AAC in terms of high early compressive strength, and durability compared to conventional concrete. However, much is still unknown about the behavior of AAC. From the type of materials used, the curing procedure, and long-term strength development of these binders; a thorough investigation is needed in order to fill the existing gap from previous studies and thus make a step forward to the safely use of AAC in the construction industry. The …

Inclusion Engineering In Femnal Steels, Rairu Vaz Penna

Masters Theses

"Low density high Mn and Al steels, or FeMnAl steels, show great promise for military vehicles and automotive applications in which high strength and toughness is a requirement. However, these steels are subject to processing challenges including development of oxide and nitride inclusions during melting and casting as well as a large as-cast grain size and heavy interdendritic segregation. This can lead to non-uniform heat treatment response and cracking during subsequent hot rolling. Adding up to 10%Al lowers the density of these steels by as much as 15%, unfortunately, this also results in large amounts of hard and faceted AlN …

Experimental And Numerical Simulation Of Split Hopkinson Pressure Bar Test On Borosilicate Glass, Mayank K. Bagaria

Dissertations, Master's Theses and Master's Reports

This study is an extension to the design of ceramic materials component exposed to bullet impact. Owing to the brittle nature of ceramics upon bullet impact, shattered pieces behave as pellets flying with different velocities and directions, damaging surrounding components. Testing to study the behavior of ceramics under ballistic impact can be cumbersome and expensive. Modeling the set-up through Finite Element Analysis (FEA) makes it economical and easy to optimize. However, appropriately incorporating the material in modeling makes laboratory testing essential. Previous efforts have concentrated on simulating crack pattern developed during 0.22 caliber pellet impact on Borosilicate glass. A major …

Integrated Computational Materials Engineering (Icme) Investigation Of Electrical Conductivity And Thermodynamic Stability For Precipitation Strengthened Al-Zn-Zr And Al-Zn-Ni Ternary Alloys, Oladeji Fadayomi

Dissertations, Master's Theses and Master's Reports

High electrical conductivity Al-Zn-TM (TM=Transition metals) alloys with improved mechanical properties and thermal resistance are developed with an integrated computational material engineering (ICME) strategy. From a series of ab initio density functional theory (DFT) simulations assessing combinations of ternary alloys, Al-Zn-Ni and Al-Zn-Zr are determined as alloys with relatively high electrical conductivity compared to several other ternary Al alloy combinations. The zero-temperature stable structure of precipitates formed in these alloys are determined from computed enthalpy of formation as L1₂, with particular focus of examining the influence of Zn on stabilizing the desired L1₂ precipitate phase.

Scanning transmission …

Magnetic Domain Structures In Fe-Ga Alloys, Matthew N. Tianen

Dissertations, Master's Theses and Master's Reports

Fe-Ga alloys, also referred to as Galfenol, have attracted great attention as new giant magnetostrictive materials for over fifteen years. They exhibit large magnetostriction, small hysteresis, good machinability, and high tensile strength, providing many advantages over other functional materials like magnetostrictive Terfenol-D, piezoelectric PZT, and magnetic shape memory Ni-Mn-Ga. In spite of the intense interest in Fe-Ga alloys, the domain phenomena that underlie their properties and functionalities are less known. Using the Bitter method, a systematic study of magnetic domain structures in Fe-Ga single crystals of different compositions and heat treatments has been performed. Our domain observation experiments reveal numerous …

Effect Of Development Of Scandium Trialuminide Precipitates On Corrosion And Mechanical Behavior In Aluminum-Magnesium Alloys, Carson Williams

Dissertations, Master's Theses and Master's Reports

Development of aluminum alloys has seen an increase in attention in recent years. The 5xxx series of Al-Mg alloys has the potential to provide strong, lightweight materials in various industry applications, however issues with strain formability and corrosion hinder the development of these alloys. The addition of Sc for developing Al₃Sc precipitates provides considerable precipitation strengthening as well as grain refinement characteristics that can help mitigate these issues. Alloys with varied Mg content were analyzed for heat treatment aging responses and precipitate formation, changes in mechanical behavior related to the Portevin-le Chatelier effect, and effects on intergranular corrosion …

Investigating Microalloying Elements To Accelerate Zirconium Trialuminide Precipitation In Aluminum Alloys, Philip D. Staublin

Dissertations, Master's Theses and Master's Reports

Precipitation of the L1₂-structured coherent Al₃Zr trialuminide phase in aluminum-zirconium alloys increases the alloy strength. Precipitation of a more refined dispersion of Al₃Zr can further increase the strength of these alloys. The addition of microalloying elements which bind to zirconium may accelerate the precipitation kinetics, allowing for nucleation of a greater number of precipitates and faster precipitate growth. Zirconium binding energies are computed for a wide range of elements, based on which the elements tin, antimony, and tellurium were selected for investigation. Ternary Al-Zr-X alloys (X = Sn, Sb, Te) were cast and heat …

Cmas/Volcanic Ash Infiltration Performance Of Yttria Rich-Zirconia Thermal Barrier Coatings Produced By Electron Beam Physical Vapor Deposition, Juan Jose Gomez Chavez

Open Access Theses & Dissertations

For many years the use of thermal barrier coatings (TBC) in gas turbine engines has allowed a significant increase in engine operating temperatures which are above the Ni-based super alloys' melting point. The base material for TBCs is the state of the art 7 wt % yttria stabilized zirconia (YSZ) which provides the thermal protection. Current industry demands for increased engine efficiency has pushed TBCs to the limits where significant technological constrains have been identified. One of the main ones represents the high temperature corrosion of the TBC material due to the ingestion of silicate based airborne particles commonly referred …

Utilizing Of Magnesium Oxysulfate Binders For Additive Construction Applications, Hatem Hashem Al-Masaeid

Electronic Theses and Dissertations

This dissertation is serving multiple transdisciplinary top-notch material design and technological topics. It is a proof of concept of the feasibility of 3D printing using Magnesium Oxysulfate (MOS) binder as an alternative to the ordinary Portland cement (OPC) to be utilized in terrestrial and extraterrestrial additive construction (AC) fields. MOS paste and mortar are characterized physically, chemically, and mechanically. The characterization results conducted in this research show how MOS’s properties can be controlled to match the 3D printing requirements by manipulating the MOS’s ingredients proportions.

Exsolved Nanoparticle Decorated Redox Stable Ceramic Anode Material With High Performance For Solid Oxide Fuel Cells, He Qi

Graduate Theses, Dissertations, and Problem Reports (ETD)

The solid oxide fuel cell (SOFC) is an efficient high-temperature device that can directly convert chemical energy to electrical energy. Because of its high efficiency and environmental friendliness, extensive investigations have been made worldwide in past decades. Though broadly used as the anode material for Solid-Oxide Fuel Cells, Ni-YSZ is limited in some practical applications by severe carbon deposition on Ni in hydrocarbon fuels and a significant volume change of Ni-NiO among redox cycling. In order to overcome these problems and achieve excellent performance in the redox environment, a Ni-free ceramic material La_0.5Sr_1.5Fe_1.5Mo_{0.5 …}

Investigation Of Nano-Ceria Catalyst Infiltration Of Solid Oxide Fuel Cell (Sofc) Electrodes Using Bio-Inspired Catechol Surfactants, Ozcan Ozmen

Graduate Theses, Dissertations, and Problem Reports (ETD)

Development of solid oxide fuel cell (SOFC) electrodes with nano-structured grains can show enhanced power density with high catalytic activity owing to the higher surface area to volume ratio of the particles. However, the addition of nano-particles during the conventional electrode manufacturing process causes inevitable structural changes due to the coarsening of nano-particles at sintering temperatures. Wet impregnation/ infiltration methods are a practical and well-utilized method to form nanoparticles within the porous electrode microstructure of solid oxide fuel cells (SOFC) which requires relatively low calcination temperatures. Critical factors that impact the reduction of the electrode polarization using the nano-catalyst impregnation …

An Investigation Of The Magneto-Active Slosh Control For Cylindrical Propellant Tanks Using Floating Membranes, Manikandan Vairamani, Pedro Llanos, Balaji Sivasubramanian, Somnath Nagendra, Kevin Crosby

Publications

The phenomenon of sloshing is a substantial challenge in propellant management, particularly in reduced gravity where surface tension-driven flows result in large slosh amplitudes and relatively long decay time scales. Propellant Management Devices (PMDs) such as the rigid baffles and elastomeric membranes are often employed to counteract motion of the free surface. In the present study, we investigate an active PMD that utilizes a free-floating membrane that, under an applied static magnetic field, becomes rigid and suppresses slosh. This semi-rigid structural layer can thereby replace bulky baffle structures and reduce the overall weight of the tank. In this paper, the …

Phase Interaction Induced Texture In A Plasma Sprayed-Remelted Nicrbsi Coating During Solidification: An Electron Backscatter Diffraction Study, Liang-Yu Chen, Tianxiang Xu, Haiyang Wang, Peng Sang, Sheng Lu, Ze-Xin Wang, Shujin Chen, Lai-Chang Zhang

Research outputs 2014 to 2021

Although considerable endeavors have been dedicated to investigate the microstructures of the remelting-enhanced NiCrBSi coatings, the textures in the remelted coatings, which may result in property anisotropy, are rarely studied. In this work, the recrystallized fractions, grain orientations and interphase boundaries for Ni, Ni₃B and CrB in a plasma sprayed-remelted NiCrBSi coating were investigated by electron backscatter diffraction. The results demonstrate that the texture is induced by phase interaction during solidification. Cooling from the liquid, the firstly formed Ni grains possess a cube fiber texture of {001}〈001〉. The successively formed Ni₃B colonies are randomly oriented and …

Effect Of Direct Current Electric Field Intensity And Electrolyte Layer Thickness On Oxygen Reduction In Simulated Atmospheric Environment, Xin Zhang, Junxi Zhang, Qimeng Chen, Nianwei Dai, Qingzhao Ni, Lai-Chang Zhang, Fahe Cao, Jianqing Zhang

Research outputs 2014 to 2021

The effect of direct current (DC) electric field and electrolyte layer thickness on oxygen reduction in simulated atmospheric environment were investigated using electrochemical measurements. The results show that the limiting diffusion current density (i_lim) decreases with increasing the thin electrolyte layers (TELs) thickness but it increases with increasing the DC electric field intensity. The potential shifts negatively with the DC electric field. It is found that the DC electric field enables OH⁻ ions to quickly migrate from the solution/electrode interface to the electrolyte layer. All these features promote the cathodic reduction process thereby enhancing the metal …

Stress State Analysis And Tensile-Shear Fracture Criterion In Combined Puncture And Cutting Of Soft Materials, Ennouri Triki, Chantal Gauvin

Études primaires

The mechanics of the combined puncture and cutting of protective materials by a pointed blade are studied theoretically and experimentally, by means of stress state analysis. Through analysis of the stresses occurring during the puncture cutting of a variety of neoprene and nitrile rubber membranes by pointed blades with different cutting-edge angles, a force state of pushing/shear-dependent loading is formulated and discussed. By considering this combined loading as an asymmetric fracture, two equations—for pushing force component and shear force component—are then derived from the stress intensity factors. From this stress analysis, a model based on fracture mechanics theory is developed …

Exploration And Optimization Of Biomaterials And Cells Required For The Fabrication Of A "Cardiac Patch", Shweta Anil Kumar

Open Access Theses & Dissertations

Cardiac failure induced by myocardial infarction is believed to be one of the primary causes of morbidity and mortality all over the world. Affecting more than 26 million people worldwide, its prevalence has been observed to increase steadily. Myocardial infarction, which intitially begins as the occlusion of of a coronary artery, results in the death of millions of cardiomyocytes by obstructing blood flow to the serviced regions of the myocardium. The dead myocardium is replaced by a dense,collagenous scar which reduces the contractility of the heart, gradually leading to heart attacks. Most of the existing treatment therapies are palliative in …

A Method For Iron Determination During Copper Electrometallurgy And Its Application To The Calculation Of Current Efficiency, Daniel Pedro Cruz

Open Access Theses & Dissertations

With the objective of developing statistical models that describe iron kinetics under typical copper electrolytes as well as its effects on current efficiency and influence in cathodic and anodic behavior, a detailed electrochemical analysis is done in this work as a contribution to implement hydrometallurgical processes in the refining or winning process to produce high purity copper.

This Thesis evaluates the oxidation-reduction potential (ORP) of the Fe3+/Fe2+ couple in the H2SO4-Fe2(SO4)3-FeSO4-H2O and H2SO4-CuSO4-Fe2(SO4)3-FeSO4-H2O systems, with addition of different copper concentrations and temperatures up to 70°, typically employed in the industry. This study further validates and expands a thermodynamic expression developed …

Processing, Structure And Mechanical Behavior Of Advanced Engineering Steels, Bing Yu

Open Access Theses & Dissertations

The concept of low lattice misfit and high-density of nanoscale precipitates obtained through solution treatment was adopted to obtain ultrahigh strength maraging steel without compromising elongation. An "ultrahigh strength-high toughness" combination was successfully obtained in 19Ni3Mo1.5Ti maraging steel with ultimate strength of ~1858 MPa and static toughness of ~110 MJ·m-3. Maraging steel had extremely high density (2.3Ã?1024 m-3) of nanoscale precipitates with minimum lattice misfit of less than 1% at the solutionization temperature of 820 oC. Two kinds of nanoscale precipitates, namely, η-Ni3(Ti,Mo) and B2-Ni(Mo,Fe) contributed to ultrahigh strength. The size of nanoscale precipitates governed the movement of dislocations, cutting …

Direct Write 3d Printing Of Functional Ceramics, Jorge Angel Diaz

Open Access Theses & Dissertations

Humidity sensors are used in many industries and are important for ensuring quality and safety. Ceramic sensors are preferred because of their quick response time, ability to withstand high temperatures and excellent Chemical and mechanical stability. The manufacturing world has been moving toward additive manufacturing which is a form of synthesizing 3D tangible layer by layer in witch minimal waste is produced. Additive manufacturing also is known as 3D printing has opened new possibilities to design engineers by giving them design freedom and access to the layers of a part to allow embedded sensors. There is a category of ceramics …